USER MOD reduce.3.24.130724 H: found=0, std=0, add=1467, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1476 hydrogens (9 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 ASN : amide:sc= 0.731 K(o=2.5,f=-6.5!) USER MOD Set 1.2: A 49 LYS NZ :NH3+ 159:sc= 1.51 (180deg=0) USER MOD Set 1.3: A 176 GLN : amide:sc= 0.227 K(o=2.5,f=-5.6!) USER MOD Set 2.1: A 3 TYR OH : rot 135:sc= 0.832 USER MOD Set 2.2: A 166 MET CE :methyl -110:sc= -0.0252 (180deg=-0.984) USER MOD Set 2.3: A 181 THR OG1 : rot 79:sc= 1.22 USER MOD Set 3.1: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 133 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 137 GLN : amide:sc=-0.00395 K(o=-0.0039,f=-0.59) USER MOD Set 4.1: A 34 TYR OH : rot 23:sc= 1.24 USER MOD Set 4.2: A 98 LYS NZ :NH3+ -126:sc= 0.922 (180deg=-0.978!) USER MOD Set 5.1: A 27 SER OG : rot 32:sc= 1.16 USER MOD Set 5.2: A 60 HIS : no HE2:sc= 0.614 K(o=3.9,f=-9.4!) USER MOD Set 5.3: A 62 ASN : amide:sc= -0.145 K(o=3.9,f=-4.3!) USER MOD Set 5.4: A 73 THR OG1 : rot 130:sc= 2.29 USER MOD Set 6.1: A 43 SER OG : rot -56:sc= 2.14 USER MOD Set 6.2: A 56 MET CE :methyl 147:sc= -0.858 (180deg=-1.67) USER MOD Set 6.3: A 58 LYS NZ :NH3+ 164:sc= 2.23 (180deg=1.11) USER MOD Set 7.1: A 30 CYS SG : rot 80:sc= -0.601 USER MOD Set 7.2: A 33 CYS SG : rot 58:sc= 0.979 USER MOD Single : A 1 ALA N :NH3+ -133:sc= 1.42 (180deg=-0.146) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.02! C(o=-1!,f=-8.9!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 85:sc= 1.18 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.02 X(o=-1,f=-0.93) USER MOD Single : A 32 HIS : +bothHN:sc= 0.611 K(o=0.61,f=-8.3!) USER MOD Single : A 35 GLN : amide:sc= 0.561 K(o=0.56,f=-0.11) USER MOD Single : A 41 HIS : no HE2:sc= 0.739 K(o=0.74,f=-6.1!) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 1.14 (180deg=1.04) USER MOD Single : A 48 LYS NZ :NH3+ -128:sc= 1.17 (180deg=-0.568) USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0176) USER MOD Single : A 57 THR OG1 : rot 74:sc= 0.0266 USER MOD Single : A 64 MET CE :methyl 178:sc= 0 (180deg=-0.00471) USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 0.956 (180deg=0.562) USER MOD Single : A 74 GLN : amide:sc= 0.421 K(o=0.42,f=-1.6!) USER MOD Single : A 80 MET CE :methyl -153:sc= -0.115 (180deg=-1.98) USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= -0.104 (180deg=-0.506) USER MOD Single : A 89 THR OG1 : rot 40:sc= 1.23 USER MOD Single : A 97 GLN : amide:sc= -0.035 K(o=-0.035,f=-3.8!) USER MOD Single : A 99 THR OG1 : rot 160:sc= -0.673 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.493 USER MOD Single : A 104 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 106 SER OG : rot 180:sc= 0.165 USER MOD Single : A 114 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot -115:sc= 0.534 USER MOD Single : A 127 ASN : amide:sc= 0.0217 X(o=0.022,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0.00336 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 GLN : amide:sc= -0.814! C(o=-0.81!,f=-5.2!) USER MOD Single : A 140 LYS NZ :NH3+ -151:sc= 1.15 (180deg=1.06) USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 153 MET CE :methyl -159:sc= -1.35 (180deg=-2.17) USER MOD Single : A 156 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.43) USER MOD Single : A 158 LYS NZ :NH3+ 165:sc=-0.00371 (180deg=-0.163) USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 GLN : amide:sc= -0.0578 K(o=-0.058,f=-1.4!) USER MOD Single : A 162 ASN : amide:sc= 0.141 K(o=0.14,f=-3.1!) USER MOD Single : A 164 GLN :FLIP amide:sc= -0.0191 F(o=-0.71,f=-0.019) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 180:sc= 0.0226 USER MOD Single : A 170 ASN : amide:sc= 0.197 K(o=0.2,f=-7.5!) USER MOD Single : A 171 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 177 GLN : amide:sc= -0.416! C(o=-0.42!,f=-9.4!) USER MOD Single : A 178 TYR OH : rot 180:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot 85:sc= 1.26 USER MOD Single : A 188 LYS NZ :NH3+ -167:sc=-0.00846 (180deg=-0.16) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.672 -3.186 7.997 1.00 4.06 N ATOM 2 CA ALA A 1 21.726 -3.928 7.273 1.00 3.55 C ATOM 3 C ALA A 1 22.483 -3.002 6.332 1.00 2.45 C ATOM 4 O ALA A 1 22.181 -1.809 6.249 1.00 2.64 O ATOM 5 CB ALA A 1 21.127 -5.096 6.496 1.00 4.08 C ATOM 0 H1 ALA A 1 20.715 -3.421 9.009 1.00 4.06 H new ATOM 0 H2 ALA A 1 20.819 -2.164 7.873 1.00 4.06 H new ATOM 0 H3 ALA A 1 19.740 -3.450 7.619 1.00 4.06 H new ATOM 0 HA ALA A 1 22.426 -4.325 8.008 1.00 3.55 H new ATOM 0 HB1 ALA A 1 21.920 -5.628 5.971 1.00 4.08 H new ATOM 0 HB2 ALA A 1 20.630 -5.776 7.188 1.00 4.08 H new ATOM 0 HB3 ALA A 1 20.403 -4.719 5.774 1.00 4.08 H new ATOM 13 N GLN A 2 23.478 -3.545 5.647 1.00 1.87 N ATOM 14 CA GLN A 2 24.277 -2.773 4.702 1.00 1.08 C ATOM 15 C GLN A 2 23.494 -2.560 3.412 1.00 0.98 C ATOM 16 O GLN A 2 23.115 -3.521 2.744 1.00 1.20 O ATOM 17 CB GLN A 2 25.601 -3.499 4.423 1.00 1.59 C ATOM 18 CG GLN A 2 26.244 -3.163 3.083 1.00 2.07 C ATOM 19 CD GLN A 2 27.528 -3.934 2.854 1.00 2.84 C ATOM 20 OE1 GLN A 2 27.754 -4.990 3.451 1.00 3.18 O ATOM 21 NE2 GLN A 2 28.375 -3.420 1.980 1.00 3.58 N ATOM 0 H GLN A 2 23.754 -4.524 5.728 1.00 1.87 H new ATOM 0 HA GLN A 2 24.503 -1.797 5.132 1.00 1.08 H new ATOM 0 HB2 GLN A 2 26.306 -3.258 5.219 1.00 1.59 H new ATOM 0 HB3 GLN A 2 25.426 -4.574 4.467 1.00 1.59 H new ATOM 0 HG2 GLN A 2 25.541 -3.384 2.279 1.00 2.07 H new ATOM 0 HG3 GLN A 2 26.452 -2.094 3.040 1.00 2.07 H new ATOM 0 HE21 GLN A 2 28.151 -2.544 1.507 1.00 3.58 H new ATOM 0 HE22 GLN A 2 29.253 -3.899 1.778 1.00 3.58 H new ATOM 30 N TYR A 3 23.246 -1.303 3.067 1.00 0.86 N ATOM 31 CA TYR A 3 22.494 -0.985 1.863 1.00 0.85 C ATOM 32 C TYR A 3 23.275 -0.032 0.968 1.00 0.84 C ATOM 33 O TYR A 3 23.940 0.883 1.452 1.00 0.97 O ATOM 34 CB TYR A 3 21.136 -0.376 2.225 1.00 0.91 C ATOM 35 CG TYR A 3 20.243 -1.319 2.996 1.00 0.93 C ATOM 36 CD1 TYR A 3 19.937 -2.570 2.486 1.00 1.08 C ATOM 37 CD2 TYR A 3 19.724 -0.967 4.232 1.00 0.96 C ATOM 38 CE1 TYR A 3 19.134 -3.446 3.184 1.00 1.18 C ATOM 39 CE2 TYR A 3 18.918 -1.835 4.936 1.00 1.07 C ATOM 40 CZ TYR A 3 18.627 -3.076 4.406 1.00 1.15 C ATOM 41 OH TYR A 3 17.832 -3.952 5.101 1.00 1.32 O ATOM 0 H TYR A 3 23.554 -0.491 3.602 1.00 0.86 H new ATOM 0 HA TYR A 3 22.329 -1.912 1.314 1.00 0.85 H new ATOM 0 HB2 TYR A 3 21.296 0.526 2.816 1.00 0.91 H new ATOM 0 HB3 TYR A 3 20.627 -0.071 1.310 1.00 0.91 H new ATOM 0 HD1 TYR A 3 20.334 -2.864 1.526 1.00 1.08 H new ATOM 0 HD2 TYR A 3 19.955 0.002 4.650 1.00 0.96 H new ATOM 0 HE1 TYR A 3 18.905 -4.418 2.773 1.00 1.18 H new ATOM 0 HE2 TYR A 3 18.517 -1.546 5.896 1.00 1.07 H new ATOM 0 HH TYR A 3 18.107 -3.968 6.042 1.00 1.32 H new ATOM 51 N GLU A 4 23.191 -0.260 -0.334 1.00 0.79 N ATOM 52 CA GLU A 4 23.877 0.572 -1.314 1.00 0.81 C ATOM 53 C GLU A 4 22.860 1.219 -2.248 1.00 0.74 C ATOM 54 O GLU A 4 21.871 0.581 -2.630 1.00 0.72 O ATOM 55 CB GLU A 4 24.858 -0.266 -2.141 1.00 0.88 C ATOM 56 CG GLU A 4 25.919 -0.982 -1.317 1.00 1.10 C ATOM 57 CD GLU A 4 26.839 -1.833 -2.170 1.00 1.60 C ATOM 58 OE1 GLU A 4 27.205 -1.390 -3.282 1.00 2.29 O ATOM 59 OE2 GLU A 4 27.208 -2.948 -1.732 1.00 2.08 O1- ATOM 0 H GLU A 4 22.649 -1.022 -0.741 1.00 0.79 H new ATOM 0 HA GLU A 4 24.431 1.344 -0.780 1.00 0.81 H new ATOM 0 HB2 GLU A 4 24.296 -1.006 -2.710 1.00 0.88 H new ATOM 0 HB3 GLU A 4 25.353 0.383 -2.864 1.00 0.88 H new ATOM 0 HG2 GLU A 4 26.511 -0.245 -0.773 1.00 1.10 H new ATOM 0 HG3 GLU A 4 25.432 -1.612 -0.573 1.00 1.10 H new ATOM 66 N ASP A 5 23.088 2.479 -2.605 1.00 0.74 N ATOM 67 CA ASP A 5 22.187 3.190 -3.511 1.00 0.71 C ATOM 68 C ASP A 5 22.290 2.605 -4.916 1.00 0.71 C ATOM 69 O ASP A 5 23.361 2.608 -5.531 1.00 0.77 O ATOM 70 CB ASP A 5 22.500 4.688 -3.540 1.00 0.74 C ATOM 71 CG ASP A 5 21.688 5.432 -4.587 1.00 1.14 C ATOM 72 OD1 ASP A 5 20.478 5.660 -4.364 1.00 1.83 O ATOM 73 OD2 ASP A 5 22.263 5.806 -5.633 1.00 1.76 O1- ATOM 0 H ASP A 5 23.885 3.028 -2.283 1.00 0.74 H new ATOM 0 HA ASP A 5 21.168 3.065 -3.144 1.00 0.71 H new ATOM 0 HB2 ASP A 5 22.300 5.117 -2.558 1.00 0.74 H new ATOM 0 HB3 ASP A 5 23.562 4.830 -3.740 1.00 0.74 H new ATOM 78 N GLY A 6 21.176 2.092 -5.405 1.00 0.68 N ATOM 79 CA GLY A 6 21.134 1.481 -6.715 1.00 0.70 C ATOM 80 C GLY A 6 20.939 -0.017 -6.609 1.00 0.71 C ATOM 81 O GLY A 6 20.571 -0.684 -7.581 1.00 0.78 O ATOM 0 H GLY A 6 20.285 2.088 -4.909 1.00 0.68 H new ATOM 0 HA2 GLY A 6 20.322 1.917 -7.298 1.00 0.70 H new ATOM 0 HA3 GLY A 6 22.060 1.694 -7.249 1.00 0.70 H new ATOM 85 N LYS A 7 21.179 -0.545 -5.413 1.00 0.69 N ATOM 86 CA LYS A 7 21.035 -1.970 -5.162 1.00 0.71 C ATOM 87 C LYS A 7 19.695 -2.264 -4.495 1.00 0.64 C ATOM 88 O LYS A 7 18.739 -2.664 -5.159 1.00 0.62 O ATOM 89 CB LYS A 7 22.190 -2.481 -4.289 1.00 0.80 C ATOM 90 CG LYS A 7 22.231 -3.995 -4.147 1.00 0.86 C ATOM 91 CD LYS A 7 22.579 -4.676 -5.461 1.00 1.04 C ATOM 92 CE LYS A 7 22.523 -6.191 -5.336 1.00 1.23 C ATOM 93 NZ LYS A 7 22.646 -6.857 -6.661 1.00 1.87 N1+ ATOM 0 H LYS A 7 21.475 -0.003 -4.601 1.00 0.69 H new ATOM 0 HA LYS A 7 21.066 -2.492 -6.119 1.00 0.71 H new ATOM 0 HB2 LYS A 7 23.133 -2.140 -4.715 1.00 0.80 H new ATOM 0 HB3 LYS A 7 22.108 -2.035 -3.298 1.00 0.80 H new ATOM 0 HG2 LYS A 7 22.965 -4.269 -3.390 1.00 0.86 H new ATOM 0 HG3 LYS A 7 21.263 -4.354 -3.797 1.00 0.86 H new ATOM 0 HD2 LYS A 7 21.887 -4.348 -6.236 1.00 1.04 H new ATOM 0 HD3 LYS A 7 23.577 -4.373 -5.776 1.00 1.04 H new ATOM 0 HE2 LYS A 7 23.325 -6.532 -4.681 1.00 1.23 H new ATOM 0 HE3 LYS A 7 21.583 -6.483 -4.868 1.00 1.23 H new ATOM 0 HZ1 LYS A 7 22.604 -7.889 -6.536 1.00 1.87 H new ATOM 0 HZ2 LYS A 7 21.866 -6.550 -7.277 1.00 1.87 H new ATOM 0 HZ3 LYS A 7 23.554 -6.598 -7.097 1.00 1.87 H new ATOM 107 N GLN A 8 19.619 -2.043 -3.185 1.00 0.66 N ATOM 108 CA GLN A 8 18.394 -2.308 -2.441 1.00 0.62 C ATOM 109 C GLN A 8 17.455 -1.110 -2.473 1.00 0.56 C ATOM 110 O GLN A 8 16.245 -1.255 -2.330 1.00 0.53 O ATOM 111 CB GLN A 8 18.709 -2.676 -0.989 1.00 0.68 C ATOM 112 CG GLN A 8 19.552 -3.933 -0.842 1.00 0.78 C ATOM 113 CD GLN A 8 20.996 -3.627 -0.492 1.00 1.02 C ATOM 114 OE1 GLN A 8 21.555 -2.613 -0.918 1.00 1.46 O ATOM 115 NE2 GLN A 8 21.605 -4.497 0.300 1.00 1.15 N ATOM 0 H GLN A 8 20.388 -1.683 -2.620 1.00 0.66 H new ATOM 0 HA GLN A 8 17.897 -3.150 -2.923 1.00 0.62 H new ATOM 0 HB2 GLN A 8 19.231 -1.843 -0.518 1.00 0.68 H new ATOM 0 HB3 GLN A 8 17.773 -2.813 -0.448 1.00 0.68 H new ATOM 0 HG2 GLN A 8 19.121 -4.567 -0.068 1.00 0.78 H new ATOM 0 HG3 GLN A 8 19.519 -4.499 -1.773 1.00 0.78 H new ATOM 0 HE21 GLN A 8 21.106 -5.323 0.630 1.00 1.15 H new ATOM 0 HE22 GLN A 8 22.573 -4.341 0.580 1.00 1.15 H new ATOM 124 N TYR A 9 18.013 0.073 -2.659 1.00 0.57 N ATOM 125 CA TYR A 9 17.208 1.282 -2.715 1.00 0.54 C ATOM 126 C TYR A 9 17.784 2.249 -3.737 1.00 0.55 C ATOM 127 O TYR A 9 18.982 2.227 -4.002 1.00 0.62 O ATOM 128 CB TYR A 9 17.112 1.946 -1.330 1.00 0.54 C ATOM 129 CG TYR A 9 18.326 2.758 -0.921 1.00 0.56 C ATOM 130 CD1 TYR A 9 19.439 2.148 -0.357 1.00 0.63 C ATOM 131 CD2 TYR A 9 18.346 4.139 -1.077 1.00 0.59 C ATOM 132 CE1 TYR A 9 20.539 2.891 0.034 1.00 0.70 C ATOM 133 CE2 TYR A 9 19.442 4.886 -0.694 1.00 0.65 C ATOM 134 CZ TYR A 9 20.535 4.258 -0.136 1.00 0.69 C ATOM 135 OH TYR A 9 21.621 5.005 0.261 1.00 0.79 O ATOM 0 H TYR A 9 19.015 0.223 -2.773 1.00 0.57 H new ATOM 0 HA TYR A 9 16.199 1.009 -3.024 1.00 0.54 H new ATOM 0 HB2 TYR A 9 16.237 2.596 -1.316 1.00 0.54 H new ATOM 0 HB3 TYR A 9 16.944 1.170 -0.583 1.00 0.54 H new ATOM 0 HD1 TYR A 9 19.446 1.077 -0.221 1.00 0.63 H new ATOM 0 HD2 TYR A 9 17.489 4.637 -1.506 1.00 0.59 H new ATOM 0 HE1 TYR A 9 21.397 2.401 0.471 1.00 0.70 H new ATOM 0 HE2 TYR A 9 19.443 5.957 -0.831 1.00 0.65 H new ATOM 0 HH TYR A 9 21.455 5.951 0.069 1.00 0.79 H new ATOM 145 N THR A 10 16.935 3.085 -4.301 1.00 0.53 N ATOM 146 CA THR A 10 17.357 4.048 -5.304 1.00 0.56 C ATOM 147 C THR A 10 16.881 5.448 -4.938 1.00 0.55 C ATOM 148 O THR A 10 15.726 5.641 -4.557 1.00 0.56 O ATOM 149 CB THR A 10 16.800 3.666 -6.691 1.00 0.59 C ATOM 150 OG1 THR A 10 16.799 2.239 -6.839 1.00 0.83 O ATOM 151 CG2 THR A 10 17.623 4.293 -7.806 1.00 0.90 C ATOM 0 H THR A 10 15.940 3.118 -4.080 1.00 0.53 H new ATOM 0 HA THR A 10 18.446 4.038 -5.340 1.00 0.56 H new ATOM 0 HB THR A 10 15.780 4.045 -6.762 1.00 0.59 H new ATOM 0 HG1 THR A 10 16.443 2.002 -7.721 1.00 0.83 H new ATOM 0 HG21 THR A 10 17.206 4.006 -8.771 1.00 0.90 H new ATOM 0 HG22 THR A 10 17.600 5.378 -7.709 1.00 0.90 H new ATOM 0 HG23 THR A 10 18.654 3.945 -7.738 1.00 0.90 H new ATOM 159 N THR A 11 17.782 6.411 -5.009 1.00 0.63 N ATOM 160 CA THR A 11 17.448 7.793 -4.710 1.00 0.65 C ATOM 161 C THR A 11 16.662 8.409 -5.870 1.00 0.65 C ATOM 162 O THR A 11 17.104 8.361 -7.016 1.00 0.73 O ATOM 163 CB THR A 11 18.725 8.617 -4.455 1.00 0.71 C ATOM 164 OG1 THR A 11 19.558 7.938 -3.506 1.00 1.11 O ATOM 165 CG2 THR A 11 18.388 10.007 -3.929 1.00 0.97 C ATOM 0 H THR A 11 18.756 6.261 -5.273 1.00 0.63 H new ATOM 0 HA THR A 11 16.833 7.809 -3.810 1.00 0.65 H new ATOM 0 HB THR A 11 19.253 8.725 -5.403 1.00 0.71 H new ATOM 0 HG1 THR A 11 20.114 7.279 -3.972 1.00 1.11 H new ATOM 0 HG21 THR A 11 19.309 10.565 -3.759 1.00 0.97 H new ATOM 0 HG22 THR A 11 17.775 10.534 -4.660 1.00 0.97 H new ATOM 0 HG23 THR A 11 17.839 9.918 -2.992 1.00 0.97 H new ATOM 173 N LEU A 12 15.487 8.961 -5.576 1.00 0.63 N ATOM 174 CA LEU A 12 14.661 9.572 -6.611 1.00 0.65 C ATOM 175 C LEU A 12 15.258 10.898 -7.056 1.00 0.69 C ATOM 176 O LEU A 12 15.562 11.764 -6.229 1.00 0.71 O ATOM 177 CB LEU A 12 13.226 9.773 -6.112 1.00 0.66 C ATOM 178 CG LEU A 12 12.451 8.484 -5.822 1.00 0.67 C ATOM 179 CD1 LEU A 12 11.155 8.801 -5.099 1.00 0.74 C ATOM 180 CD2 LEU A 12 12.163 7.710 -7.102 1.00 0.72 C ATOM 0 H LEU A 12 15.089 8.997 -4.637 1.00 0.63 H new ATOM 0 HA LEU A 12 14.635 8.898 -7.468 1.00 0.65 H new ATOM 0 HB2 LEU A 12 13.255 10.373 -5.203 1.00 0.66 H new ATOM 0 HB3 LEU A 12 12.676 10.349 -6.857 1.00 0.66 H new ATOM 0 HG LEU A 12 13.072 7.857 -5.182 1.00 0.67 H new ATOM 0 HD11 LEU A 12 10.614 7.876 -4.899 1.00 0.74 H new ATOM 0 HD12 LEU A 12 11.377 9.302 -4.157 1.00 0.74 H new ATOM 0 HD13 LEU A 12 10.541 9.453 -5.721 1.00 0.74 H new ATOM 0 HD21 LEU A 12 11.612 6.801 -6.861 1.00 0.72 H new ATOM 0 HD22 LEU A 12 11.568 8.328 -7.775 1.00 0.72 H new ATOM 0 HD23 LEU A 12 13.103 7.447 -7.587 1.00 0.72 H new ATOM 192 N GLU A 13 15.443 11.035 -8.367 1.00 0.75 N ATOM 193 CA GLU A 13 15.995 12.250 -8.956 1.00 0.81 C ATOM 194 C GLU A 13 15.046 13.421 -8.740 1.00 0.80 C ATOM 195 O GLU A 13 15.473 14.545 -8.459 1.00 0.89 O ATOM 196 CB GLU A 13 16.248 12.054 -10.454 1.00 0.92 C ATOM 197 CG GLU A 13 17.033 10.791 -10.773 1.00 1.05 C ATOM 198 CD GLU A 13 17.305 10.629 -12.252 1.00 1.67 C ATOM 199 OE1 GLU A 13 17.915 11.540 -12.851 1.00 2.33 O ATOM 200 OE2 GLU A 13 16.918 9.588 -12.827 1.00 2.28 O1- ATOM 0 H GLU A 13 15.215 10.310 -9.047 1.00 0.75 H new ATOM 0 HA GLU A 13 16.944 12.468 -8.466 1.00 0.81 H new ATOM 0 HB2 GLU A 13 15.291 12.020 -10.975 1.00 0.92 H new ATOM 0 HB3 GLU A 13 16.790 12.917 -10.840 1.00 0.92 H new ATOM 0 HG2 GLU A 13 17.980 10.811 -10.234 1.00 1.05 H new ATOM 0 HG3 GLU A 13 16.480 9.924 -10.413 1.00 1.05 H new ATOM 207 N LYS A 14 13.753 13.146 -8.869 1.00 0.75 N ATOM 208 CA LYS A 14 12.726 14.163 -8.687 1.00 0.76 C ATOM 209 C LYS A 14 11.760 13.734 -7.588 1.00 0.70 C ATOM 210 O LYS A 14 10.713 13.150 -7.865 1.00 0.71 O ATOM 211 CB LYS A 14 11.969 14.418 -10.002 1.00 0.84 C ATOM 212 CG LYS A 14 12.861 14.878 -11.146 1.00 1.51 C ATOM 213 CD LYS A 14 13.474 16.235 -10.849 1.00 2.21 C ATOM 214 CE LYS A 14 14.817 16.407 -11.532 1.00 3.19 C ATOM 215 NZ LYS A 14 14.673 16.581 -13.001 1.00 3.64 N1+ ATOM 0 H LYS A 14 13.390 12.221 -9.100 1.00 0.75 H new ATOM 0 HA LYS A 14 13.208 15.095 -8.391 1.00 0.76 H new ATOM 0 HB2 LYS A 14 11.457 13.503 -10.299 1.00 0.84 H new ATOM 0 HB3 LYS A 14 11.201 15.171 -9.828 1.00 0.84 H new ATOM 0 HG2 LYS A 14 13.652 14.146 -11.311 1.00 1.51 H new ATOM 0 HG3 LYS A 14 12.279 14.932 -12.066 1.00 1.51 H new ATOM 0 HD2 LYS A 14 12.795 17.021 -11.179 1.00 2.21 H new ATOM 0 HD3 LYS A 14 13.596 16.351 -9.772 1.00 2.21 H new ATOM 0 HE2 LYS A 14 15.330 17.273 -11.112 1.00 3.19 H new ATOM 0 HE3 LYS A 14 15.442 15.537 -11.329 1.00 3.19 H new ATOM 0 HZ1 LYS A 14 15.613 16.695 -13.431 1.00 3.64 H new ATOM 0 HZ2 LYS A 14 14.207 15.744 -13.406 1.00 3.64 H new ATOM 0 HZ3 LYS A 14 14.098 17.426 -13.196 1.00 3.64 H new ATOM 229 N PRO A 15 12.118 13.999 -6.322 1.00 0.70 N ATOM 230 CA PRO A 15 11.282 13.633 -5.174 1.00 0.68 C ATOM 231 C PRO A 15 9.962 14.393 -5.158 1.00 0.67 C ATOM 232 O PRO A 15 9.853 15.485 -5.719 1.00 0.76 O ATOM 233 CB PRO A 15 12.138 14.015 -3.964 1.00 0.72 C ATOM 234 CG PRO A 15 13.113 15.015 -4.468 1.00 0.85 C ATOM 235 CD PRO A 15 13.362 14.673 -5.909 1.00 0.79 C ATOM 0 HA PRO A 15 11.005 12.579 -5.193 1.00 0.68 H new ATOM 0 HB2 PRO A 15 11.525 14.433 -3.166 1.00 0.72 H new ATOM 0 HB3 PRO A 15 12.647 13.143 -3.552 1.00 0.72 H new ATOM 0 HG2 PRO A 15 12.718 16.026 -4.371 1.00 0.85 H new ATOM 0 HG3 PRO A 15 14.039 14.978 -3.894 1.00 0.85 H new ATOM 0 HD2 PRO A 15 13.553 15.565 -6.506 1.00 0.79 H new ATOM 0 HD3 PRO A 15 14.228 14.022 -6.023 1.00 0.79 H new ATOM 243 N VAL A 16 8.963 13.809 -4.515 1.00 0.62 N ATOM 244 CA VAL A 16 7.647 14.420 -4.427 1.00 0.64 C ATOM 245 C VAL A 16 7.551 15.321 -3.198 1.00 0.64 C ATOM 246 O VAL A 16 7.937 14.930 -2.096 1.00 0.66 O ATOM 247 CB VAL A 16 6.537 13.345 -4.371 1.00 0.65 C ATOM 248 CG1 VAL A 16 5.161 13.993 -4.277 1.00 0.70 C ATOM 249 CG2 VAL A 16 6.622 12.432 -5.590 1.00 0.72 C ATOM 0 H VAL A 16 9.040 12.907 -4.044 1.00 0.62 H new ATOM 0 HA VAL A 16 7.504 15.023 -5.323 1.00 0.64 H new ATOM 0 HB VAL A 16 6.687 12.741 -3.476 1.00 0.65 H new ATOM 0 HG11 VAL A 16 4.396 13.218 -4.239 1.00 0.70 H new ATOM 0 HG12 VAL A 16 5.106 14.602 -3.374 1.00 0.70 H new ATOM 0 HG13 VAL A 16 4.995 14.624 -5.150 1.00 0.70 H new ATOM 0 HG21 VAL A 16 5.835 11.680 -5.537 1.00 0.72 H new ATOM 0 HG22 VAL A 16 6.498 13.024 -6.497 1.00 0.72 H new ATOM 0 HG23 VAL A 16 7.594 11.939 -5.608 1.00 0.72 H new ATOM 259 N ALA A 17 7.052 16.531 -3.400 1.00 0.71 N ATOM 260 CA ALA A 17 6.900 17.487 -2.316 1.00 0.75 C ATOM 261 C ALA A 17 5.611 17.221 -1.554 1.00 0.72 C ATOM 262 O ALA A 17 4.572 16.934 -2.155 1.00 0.80 O ATOM 263 CB ALA A 17 6.918 18.910 -2.854 1.00 0.89 C ATOM 0 H ALA A 17 6.744 16.875 -4.310 1.00 0.71 H new ATOM 0 HA ALA A 17 7.739 17.369 -1.630 1.00 0.75 H new ATOM 0 HB1 ALA A 17 6.803 19.613 -2.029 1.00 0.89 H new ATOM 0 HB2 ALA A 17 7.866 19.096 -3.359 1.00 0.89 H new ATOM 0 HB3 ALA A 17 6.098 19.042 -3.560 1.00 0.89 H new ATOM 269 N GLY A 18 5.686 17.300 -0.233 1.00 0.71 N ATOM 270 CA GLY A 18 4.517 17.067 0.590 1.00 0.73 C ATOM 271 C GLY A 18 4.129 15.603 0.640 1.00 0.68 C ATOM 272 O GLY A 18 2.967 15.268 0.867 1.00 0.73 O ATOM 0 H GLY A 18 6.537 17.522 0.284 1.00 0.71 H new ATOM 0 HA2 GLY A 18 4.711 17.423 1.602 1.00 0.73 H new ATOM 0 HA3 GLY A 18 3.681 17.649 0.202 1.00 0.73 H new ATOM 276 N ALA A 19 5.102 14.731 0.418 1.00 0.64 N ATOM 277 CA ALA A 19 4.865 13.297 0.436 1.00 0.60 C ATOM 278 C ALA A 19 5.052 12.744 1.845 1.00 0.57 C ATOM 279 O ALA A 19 5.913 13.214 2.591 1.00 0.61 O ATOM 280 CB ALA A 19 5.798 12.592 -0.537 1.00 0.61 C ATOM 0 H ALA A 19 6.068 14.995 0.222 1.00 0.64 H new ATOM 0 HA ALA A 19 3.837 13.113 0.125 1.00 0.60 H new ATOM 0 HB1 ALA A 19 5.607 11.519 -0.511 1.00 0.61 H new ATOM 0 HB2 ALA A 19 5.623 12.967 -1.545 1.00 0.61 H new ATOM 0 HB3 ALA A 19 6.833 12.784 -0.253 1.00 0.61 H new ATOM 286 N PRO A 20 4.233 11.756 2.237 1.00 0.54 N ATOM 287 CA PRO A 20 4.323 11.144 3.561 1.00 0.54 C ATOM 288 C PRO A 20 5.623 10.369 3.765 1.00 0.51 C ATOM 289 O PRO A 20 6.319 10.028 2.806 1.00 0.52 O ATOM 290 CB PRO A 20 3.115 10.206 3.614 1.00 0.55 C ATOM 291 CG PRO A 20 2.744 9.951 2.200 1.00 0.56 C ATOM 292 CD PRO A 20 3.139 11.181 1.431 1.00 0.55 C ATOM 0 HA PRO A 20 4.323 11.895 4.351 1.00 0.54 H new ATOM 0 HB2 PRO A 20 3.363 9.277 4.128 1.00 0.55 H new ATOM 0 HB3 PRO A 20 2.289 10.662 4.160 1.00 0.55 H new ATOM 0 HG2 PRO A 20 3.259 9.070 1.816 1.00 0.56 H new ATOM 0 HG3 PRO A 20 1.675 9.761 2.107 1.00 0.56 H new ATOM 0 HD2 PRO A 20 3.471 10.934 0.422 1.00 0.55 H new ATOM 0 HD3 PRO A 20 2.306 11.877 1.331 1.00 0.55 H new ATOM 300 N GLN A 21 5.943 10.108 5.025 1.00 0.52 N ATOM 301 CA GLN A 21 7.157 9.386 5.380 1.00 0.51 C ATOM 302 C GLN A 21 7.129 7.974 4.812 1.00 0.46 C ATOM 303 O GLN A 21 8.116 7.504 4.251 1.00 0.47 O ATOM 304 CB GLN A 21 7.326 9.344 6.897 1.00 0.56 C ATOM 305 CG GLN A 21 7.347 10.720 7.540 1.00 0.66 C ATOM 306 CD GLN A 21 7.395 10.662 9.054 1.00 0.93 C ATOM 307 OE1 GLN A 21 8.471 10.673 9.658 1.00 1.79 O ATOM 308 NE2 GLN A 21 6.230 10.607 9.683 1.00 0.95 N ATOM 0 H GLN A 21 5.374 10.388 5.824 1.00 0.52 H new ATOM 0 HA GLN A 21 8.008 9.913 4.948 1.00 0.51 H new ATOM 0 HB2 GLN A 21 6.513 8.761 7.330 1.00 0.56 H new ATOM 0 HB3 GLN A 21 8.254 8.824 7.138 1.00 0.56 H new ATOM 0 HG2 GLN A 21 8.212 11.273 7.175 1.00 0.66 H new ATOM 0 HG3 GLN A 21 6.461 11.274 7.230 1.00 0.66 H new ATOM 0 HE21 GLN A 21 5.361 10.600 9.148 1.00 0.95 H new ATOM 0 HE22 GLN A 21 6.202 10.572 10.702 1.00 0.95 H new ATOM 317 N VAL A 22 5.994 7.306 4.957 1.00 0.43 N ATOM 318 CA VAL A 22 5.836 5.954 4.443 1.00 0.40 C ATOM 319 C VAL A 22 4.693 5.917 3.440 1.00 0.38 C ATOM 320 O VAL A 22 3.521 5.903 3.819 1.00 0.42 O ATOM 321 CB VAL A 22 5.569 4.931 5.569 1.00 0.42 C ATOM 322 CG1 VAL A 22 5.356 3.535 4.999 1.00 0.45 C ATOM 323 CG2 VAL A 22 6.714 4.921 6.566 1.00 0.45 C ATOM 0 H VAL A 22 5.169 7.679 5.427 1.00 0.43 H new ATOM 0 HA VAL A 22 6.772 5.676 3.958 1.00 0.40 H new ATOM 0 HB VAL A 22 4.658 5.233 6.086 1.00 0.42 H new ATOM 0 HG11 VAL A 22 5.170 2.834 5.813 1.00 0.45 H new ATOM 0 HG12 VAL A 22 4.499 3.544 4.325 1.00 0.45 H new ATOM 0 HG13 VAL A 22 6.246 3.226 4.451 1.00 0.45 H new ATOM 0 HG21 VAL A 22 6.506 4.194 7.351 1.00 0.45 H new ATOM 0 HG22 VAL A 22 7.638 4.650 6.056 1.00 0.45 H new ATOM 0 HG23 VAL A 22 6.820 5.912 7.008 1.00 0.45 H new ATOM 333 N LEU A 23 5.042 5.926 2.164 1.00 0.36 N ATOM 334 CA LEU A 23 4.051 5.902 1.101 1.00 0.36 C ATOM 335 C LEU A 23 4.094 4.571 0.365 1.00 0.32 C ATOM 336 O LEU A 23 5.064 4.269 -0.330 1.00 0.35 O ATOM 337 CB LEU A 23 4.304 7.055 0.124 1.00 0.41 C ATOM 338 CG LEU A 23 3.259 7.221 -0.979 1.00 0.46 C ATOM 339 CD1 LEU A 23 1.855 7.303 -0.398 1.00 0.51 C ATOM 340 CD2 LEU A 23 3.561 8.453 -1.819 1.00 0.53 C ATOM 0 H LEU A 23 6.008 5.950 1.838 1.00 0.36 H new ATOM 0 HA LEU A 23 3.061 6.022 1.542 1.00 0.36 H new ATOM 0 HB2 LEU A 23 4.359 7.984 0.691 1.00 0.41 H new ATOM 0 HB3 LEU A 23 5.278 6.907 -0.341 1.00 0.41 H new ATOM 0 HG LEU A 23 3.306 6.342 -1.621 1.00 0.46 H new ATOM 0 HD11 LEU A 23 1.133 7.421 -1.206 1.00 0.51 H new ATOM 0 HD12 LEU A 23 1.636 6.389 0.154 1.00 0.51 H new ATOM 0 HD13 LEU A 23 1.789 8.158 0.275 1.00 0.51 H new ATOM 0 HD21 LEU A 23 2.807 8.555 -2.599 1.00 0.53 H new ATOM 0 HD22 LEU A 23 3.548 9.339 -1.184 1.00 0.53 H new ATOM 0 HD23 LEU A 23 4.545 8.349 -2.277 1.00 0.53 H new ATOM 352 N GLU A 24 3.056 3.773 0.533 1.00 0.32 N ATOM 353 CA GLU A 24 2.977 2.475 -0.117 1.00 0.30 C ATOM 354 C GLU A 24 1.752 2.412 -1.019 1.00 0.29 C ATOM 355 O GLU A 24 0.719 3.008 -0.715 1.00 0.35 O ATOM 356 CB GLU A 24 2.911 1.373 0.936 1.00 0.36 C ATOM 357 CG GLU A 24 3.111 -0.024 0.375 1.00 0.39 C ATOM 358 CD GLU A 24 2.247 -1.053 1.070 1.00 0.90 C ATOM 359 OE1 GLU A 24 2.669 -1.593 2.113 1.00 1.54 O1- ATOM 360 OE2 GLU A 24 1.128 -1.314 0.580 1.00 1.61 O ATOM 0 H GLU A 24 2.251 4.001 1.117 1.00 0.32 H new ATOM 0 HA GLU A 24 3.868 2.330 -0.729 1.00 0.30 H new ATOM 0 HB2 GLU A 24 3.671 1.562 1.694 1.00 0.36 H new ATOM 0 HB3 GLU A 24 1.943 1.419 1.436 1.00 0.36 H new ATOM 0 HG2 GLU A 24 2.882 -0.021 -0.691 1.00 0.39 H new ATOM 0 HG3 GLU A 24 4.159 -0.306 0.475 1.00 0.39 H new ATOM 367 N PHE A 25 1.877 1.702 -2.130 1.00 0.27 N ATOM 368 CA PHE A 25 0.780 1.551 -3.077 1.00 0.29 C ATOM 369 C PHE A 25 0.473 0.077 -3.291 1.00 0.29 C ATOM 370 O PHE A 25 1.345 -0.774 -3.114 1.00 0.34 O ATOM 371 CB PHE A 25 1.142 2.193 -4.416 1.00 0.35 C ATOM 372 CG PHE A 25 1.288 3.684 -4.361 1.00 0.37 C ATOM 373 CD1 PHE A 25 0.174 4.502 -4.441 1.00 0.45 C ATOM 374 CD2 PHE A 25 2.541 4.268 -4.250 1.00 0.42 C ATOM 375 CE1 PHE A 25 0.306 5.877 -4.409 1.00 0.52 C ATOM 376 CE2 PHE A 25 2.677 5.639 -4.215 1.00 0.50 C ATOM 377 CZ PHE A 25 1.558 6.445 -4.297 1.00 0.53 C ATOM 0 H PHE A 25 2.733 1.218 -2.400 1.00 0.27 H new ATOM 0 HA PHE A 25 -0.099 2.048 -2.668 1.00 0.29 H new ATOM 0 HB2 PHE A 25 2.076 1.760 -4.773 1.00 0.35 H new ATOM 0 HB3 PHE A 25 0.374 1.941 -5.147 1.00 0.35 H new ATOM 0 HD1 PHE A 25 -0.808 4.061 -4.529 1.00 0.45 H new ATOM 0 HD2 PHE A 25 3.419 3.642 -4.190 1.00 0.42 H new ATOM 0 HE1 PHE A 25 -0.570 6.506 -4.472 1.00 0.52 H new ATOM 0 HE2 PHE A 25 3.657 6.083 -4.124 1.00 0.50 H new ATOM 0 HZ PHE A 25 1.663 7.520 -4.273 1.00 0.53 H new ATOM 387 N PHE A 26 -0.762 -0.222 -3.678 1.00 0.31 N ATOM 388 CA PHE A 26 -1.178 -1.598 -3.920 1.00 0.32 C ATOM 389 C PHE A 26 -2.557 -1.640 -4.580 1.00 0.34 C ATOM 390 O PHE A 26 -3.181 -0.599 -4.819 1.00 0.38 O ATOM 391 CB PHE A 26 -1.206 -2.388 -2.597 1.00 0.34 C ATOM 392 CG PHE A 26 -2.488 -2.247 -1.811 1.00 0.36 C ATOM 393 CD1 PHE A 26 -3.042 -1.000 -1.563 1.00 0.47 C ATOM 394 CD2 PHE A 26 -3.141 -3.370 -1.331 1.00 0.38 C ATOM 395 CE1 PHE A 26 -4.221 -0.879 -0.855 1.00 0.55 C ATOM 396 CE2 PHE A 26 -4.317 -3.254 -0.620 1.00 0.44 C ATOM 397 CZ PHE A 26 -4.858 -2.007 -0.383 1.00 0.51 C ATOM 0 H PHE A 26 -1.494 0.472 -3.831 1.00 0.31 H new ATOM 0 HA PHE A 26 -0.456 -2.058 -4.595 1.00 0.32 H new ATOM 0 HB2 PHE A 26 -1.042 -3.443 -2.815 1.00 0.34 H new ATOM 0 HB3 PHE A 26 -0.374 -2.059 -1.974 1.00 0.34 H new ATOM 0 HD1 PHE A 26 -2.545 -0.113 -1.928 1.00 0.47 H new ATOM 0 HD2 PHE A 26 -2.724 -4.349 -1.516 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -4.644 0.098 -0.671 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -4.814 -4.138 -0.249 1.00 0.44 H new ATOM 0 HZ PHE A 26 -5.780 -1.915 0.172 1.00 0.51 H new ATOM 407 N SER A 27 -3.019 -2.846 -4.885 1.00 0.35 N ATOM 408 CA SER A 27 -4.331 -3.038 -5.478 1.00 0.39 C ATOM 409 C SER A 27 -4.838 -4.449 -5.207 1.00 0.40 C ATOM 410 O SER A 27 -4.074 -5.412 -5.243 1.00 0.40 O ATOM 411 CB SER A 27 -4.319 -2.770 -6.984 1.00 0.42 C ATOM 412 OG SER A 27 -5.643 -2.558 -7.456 1.00 0.96 O ATOM 0 H SER A 27 -2.499 -3.709 -4.729 1.00 0.35 H new ATOM 0 HA SER A 27 -5.005 -2.317 -5.014 1.00 0.39 H new ATOM 0 HB2 SER A 27 -3.704 -1.897 -7.200 1.00 0.42 H new ATOM 0 HB3 SER A 27 -3.869 -3.614 -7.507 1.00 0.42 H new ATOM 0 HG SER A 27 -6.179 -2.139 -6.751 1.00 0.96 H new ATOM 418 N PHE A 28 -6.135 -4.559 -4.946 1.00 0.45 N ATOM 419 CA PHE A 28 -6.756 -5.846 -4.669 1.00 0.48 C ATOM 420 C PHE A 28 -6.877 -6.664 -5.944 1.00 0.50 C ATOM 421 O PHE A 28 -7.003 -7.884 -5.902 1.00 0.54 O ATOM 422 CB PHE A 28 -8.135 -5.647 -4.038 1.00 0.53 C ATOM 423 CG PHE A 28 -8.089 -4.896 -2.735 1.00 0.51 C ATOM 424 CD1 PHE A 28 -7.793 -5.554 -1.553 1.00 0.50 C ATOM 425 CD2 PHE A 28 -8.338 -3.533 -2.695 1.00 0.58 C ATOM 426 CE1 PHE A 28 -7.743 -4.866 -0.355 1.00 0.54 C ATOM 427 CE2 PHE A 28 -8.292 -2.840 -1.499 1.00 0.62 C ATOM 428 CZ PHE A 28 -7.994 -3.507 -0.329 1.00 0.60 C ATOM 0 H PHE A 28 -6.778 -3.768 -4.921 1.00 0.45 H new ATOM 0 HA PHE A 28 -6.124 -6.389 -3.966 1.00 0.48 H new ATOM 0 HB2 PHE A 28 -8.773 -5.108 -4.738 1.00 0.53 H new ATOM 0 HB3 PHE A 28 -8.595 -6.621 -3.872 1.00 0.53 H new ATOM 0 HD1 PHE A 28 -7.599 -6.616 -1.567 1.00 0.50 H new ATOM 0 HD2 PHE A 28 -8.571 -3.006 -3.609 1.00 0.58 H new ATOM 0 HE1 PHE A 28 -7.508 -5.390 0.560 1.00 0.54 H new ATOM 0 HE2 PHE A 28 -8.489 -1.778 -1.481 1.00 0.62 H new ATOM 0 HZ PHE A 28 -7.957 -2.968 0.606 1.00 0.60 H new ATOM 438 N PHE A 29 -6.824 -5.981 -7.079 1.00 0.51 N ATOM 439 CA PHE A 29 -6.916 -6.639 -8.372 1.00 0.55 C ATOM 440 C PHE A 29 -5.542 -7.132 -8.815 1.00 0.50 C ATOM 441 O PHE A 29 -5.400 -7.745 -9.875 1.00 0.58 O ATOM 442 CB PHE A 29 -7.472 -5.676 -9.428 1.00 0.59 C ATOM 443 CG PHE A 29 -8.802 -5.065 -9.079 1.00 0.89 C ATOM 444 CD1 PHE A 29 -9.982 -5.713 -9.399 1.00 1.21 C ATOM 445 CD2 PHE A 29 -8.865 -3.834 -8.447 1.00 1.17 C ATOM 446 CE1 PHE A 29 -11.203 -5.143 -9.095 1.00 1.63 C ATOM 447 CE2 PHE A 29 -10.082 -3.263 -8.141 1.00 1.60 C ATOM 448 CZ PHE A 29 -11.252 -3.916 -8.466 1.00 1.78 C ATOM 0 H PHE A 29 -6.717 -4.968 -7.129 1.00 0.51 H new ATOM 0 HA PHE A 29 -7.591 -7.489 -8.271 1.00 0.55 H new ATOM 0 HB2 PHE A 29 -6.750 -4.875 -9.587 1.00 0.59 H new ATOM 0 HB3 PHE A 29 -7.569 -6.210 -10.373 1.00 0.59 H new ATOM 0 HD1 PHE A 29 -9.948 -6.674 -9.891 1.00 1.21 H new ATOM 0 HD2 PHE A 29 -7.952 -3.317 -8.192 1.00 1.17 H new ATOM 0 HE1 PHE A 29 -12.118 -5.657 -9.349 1.00 1.63 H new ATOM 0 HE2 PHE A 29 -10.119 -2.304 -7.646 1.00 1.60 H new ATOM 0 HZ PHE A 29 -12.205 -3.468 -8.229 1.00 1.78 H new ATOM 458 N CYS A 30 -4.537 -6.864 -7.996 1.00 0.46 N ATOM 459 CA CYS A 30 -3.177 -7.252 -8.307 1.00 0.44 C ATOM 460 C CYS A 30 -2.725 -8.418 -7.435 1.00 0.45 C ATOM 461 O CYS A 30 -2.568 -8.274 -6.220 1.00 0.44 O ATOM 462 CB CYS A 30 -2.244 -6.057 -8.117 1.00 0.41 C ATOM 463 SG CYS A 30 -0.506 -6.408 -8.450 1.00 0.48 S ATOM 0 H CYS A 30 -4.643 -6.376 -7.106 1.00 0.46 H new ATOM 0 HA CYS A 30 -3.140 -7.577 -9.347 1.00 0.44 H new ATOM 0 HB2 CYS A 30 -2.571 -5.249 -8.771 1.00 0.41 H new ATOM 0 HB3 CYS A 30 -2.339 -5.696 -7.093 1.00 0.41 H new ATOM 0 HG CYS A 30 -0.297 -6.388 -9.733 1.00 0.48 H new ATOM 469 N PRO A 31 -2.513 -9.596 -8.041 1.00 0.51 N ATOM 470 CA PRO A 31 -2.062 -10.778 -7.310 1.00 0.56 C ATOM 471 C PRO A 31 -0.671 -10.569 -6.725 1.00 0.50 C ATOM 472 O PRO A 31 -0.298 -11.184 -5.724 1.00 0.50 O ATOM 473 CB PRO A 31 -2.052 -11.893 -8.359 1.00 0.67 C ATOM 474 CG PRO A 31 -2.097 -11.220 -9.687 1.00 0.70 C ATOM 475 CD PRO A 31 -2.719 -9.865 -9.477 1.00 0.58 C ATOM 0 HA PRO A 31 -2.708 -11.008 -6.463 1.00 0.56 H new ATOM 0 HB2 PRO A 31 -1.156 -12.507 -8.265 1.00 0.67 H new ATOM 0 HB3 PRO A 31 -2.908 -12.556 -8.230 1.00 0.67 H new ATOM 0 HG2 PRO A 31 -1.094 -11.123 -10.104 1.00 0.70 H new ATOM 0 HG3 PRO A 31 -2.681 -11.806 -10.396 1.00 0.70 H new ATOM 0 HD2 PRO A 31 -2.242 -9.106 -10.098 1.00 0.58 H new ATOM 0 HD3 PRO A 31 -3.778 -9.868 -9.735 1.00 0.58 H new ATOM 483 N HIS A 32 0.078 -9.666 -7.347 1.00 0.49 N ATOM 484 CA HIS A 32 1.425 -9.335 -6.900 1.00 0.48 C ATOM 485 C HIS A 32 1.376 -8.656 -5.533 1.00 0.39 C ATOM 486 O HIS A 32 2.313 -8.757 -4.741 1.00 0.42 O ATOM 487 CB HIS A 32 2.108 -8.422 -7.922 1.00 0.57 C ATOM 488 CG HIS A 32 3.604 -8.444 -7.858 1.00 0.72 C ATOM 489 ND1 HIS A 32 4.317 -8.281 -6.691 1.00 1.63 N ATOM 490 CD2 HIS A 32 4.523 -8.602 -8.837 1.00 1.25 C ATOM 491 CE1 HIS A 32 5.609 -8.340 -6.959 1.00 1.74 C ATOM 492 NE2 HIS A 32 5.760 -8.535 -8.254 1.00 1.42 N ATOM 0 H HIS A 32 -0.229 -9.146 -8.169 1.00 0.49 H new ATOM 0 HA HIS A 32 2.002 -10.255 -6.811 1.00 0.48 H new ATOM 0 HB2 HIS A 32 1.794 -8.716 -8.923 1.00 0.57 H new ATOM 0 HB3 HIS A 32 1.763 -7.400 -7.767 1.00 0.57 H new ATOM 0 HD1 HIS A 32 3.911 -8.137 -5.766 1.00 1.63 H new ATOM 0 HD2 HIS A 32 4.319 -8.753 -9.887 1.00 1.25 H new ATOM 0 HE1 HIS A 32 6.408 -8.245 -6.238 1.00 1.74 H new ATOM 0 HE2 HIS A 32 6.652 -8.622 -8.741 1.00 1.42 H new ATOM 501 N CYS A 33 0.279 -7.955 -5.267 1.00 0.37 N ATOM 502 CA CYS A 33 0.095 -7.283 -3.989 1.00 0.32 C ATOM 503 C CYS A 33 -0.448 -8.272 -2.970 1.00 0.32 C ATOM 504 O CYS A 33 -0.144 -8.193 -1.781 1.00 0.29 O ATOM 505 CB CYS A 33 -0.866 -6.104 -4.129 1.00 0.34 C ATOM 506 SG CYS A 33 -0.362 -4.891 -5.364 1.00 0.36 S ATOM 0 H CYS A 33 -0.495 -7.838 -5.921 1.00 0.37 H new ATOM 0 HA CYS A 33 1.059 -6.901 -3.653 1.00 0.32 H new ATOM 0 HB2 CYS A 33 -1.854 -6.483 -4.389 1.00 0.34 H new ATOM 0 HB3 CYS A 33 -0.959 -5.607 -3.163 1.00 0.34 H new ATOM 0 HG CYS A 33 -0.239 -5.474 -6.519 1.00 0.36 H new ATOM 512 N TYR A 34 -1.237 -9.219 -3.463 1.00 0.40 N ATOM 513 CA TYR A 34 -1.835 -10.247 -2.624 1.00 0.44 C ATOM 514 C TYR A 34 -0.745 -11.054 -1.929 1.00 0.41 C ATOM 515 O TYR A 34 -0.774 -11.245 -0.713 1.00 0.41 O ATOM 516 CB TYR A 34 -2.721 -11.158 -3.480 1.00 0.55 C ATOM 517 CG TYR A 34 -3.410 -12.273 -2.716 1.00 0.57 C ATOM 518 CD1 TYR A 34 -4.379 -11.995 -1.760 1.00 1.42 C ATOM 519 CD2 TYR A 34 -3.095 -13.604 -2.961 1.00 0.94 C ATOM 520 CE1 TYR A 34 -5.012 -13.010 -1.069 1.00 1.44 C ATOM 521 CE2 TYR A 34 -3.724 -14.625 -2.271 1.00 1.02 C ATOM 522 CZ TYR A 34 -4.681 -14.323 -1.328 1.00 0.73 C ATOM 523 OH TYR A 34 -5.315 -15.336 -0.640 1.00 0.85 O ATOM 0 H TYR A 34 -1.479 -9.295 -4.451 1.00 0.40 H new ATOM 0 HA TYR A 34 -2.452 -9.776 -1.859 1.00 0.44 H new ATOM 0 HB2 TYR A 34 -3.481 -10.548 -3.969 1.00 0.55 H new ATOM 0 HB3 TYR A 34 -2.111 -11.599 -4.268 1.00 0.55 H new ATOM 0 HD1 TYR A 34 -4.642 -10.968 -1.554 1.00 1.42 H new ATOM 0 HD2 TYR A 34 -2.347 -13.845 -3.702 1.00 0.94 H new ATOM 0 HE1 TYR A 34 -5.763 -12.776 -0.329 1.00 1.44 H new ATOM 0 HE2 TYR A 34 -3.466 -15.654 -2.471 1.00 1.02 H new ATOM 0 HH TYR A 34 -6.178 -15.014 -0.305 1.00 0.85 H new ATOM 533 N GLN A 35 0.235 -11.503 -2.705 1.00 0.44 N ATOM 534 CA GLN A 35 1.336 -12.286 -2.163 1.00 0.47 C ATOM 535 C GLN A 35 2.219 -11.425 -1.260 1.00 0.37 C ATOM 536 O GLN A 35 2.771 -11.905 -0.268 1.00 0.39 O ATOM 537 CB GLN A 35 2.174 -12.882 -3.294 1.00 0.61 C ATOM 538 CG GLN A 35 3.097 -14.001 -2.840 1.00 1.02 C ATOM 539 CD GLN A 35 3.819 -14.666 -3.996 1.00 1.41 C ATOM 540 OE1 GLN A 35 3.291 -15.588 -4.623 1.00 1.89 O ATOM 541 NE2 GLN A 35 5.034 -14.221 -4.280 1.00 2.27 N ATOM 0 H GLN A 35 0.288 -11.338 -3.710 1.00 0.44 H new ATOM 0 HA GLN A 35 0.915 -13.097 -1.569 1.00 0.47 H new ATOM 0 HB2 GLN A 35 1.507 -13.263 -4.068 1.00 0.61 H new ATOM 0 HB3 GLN A 35 2.771 -12.091 -3.749 1.00 0.61 H new ATOM 0 HG2 GLN A 35 3.831 -13.601 -2.140 1.00 1.02 H new ATOM 0 HG3 GLN A 35 2.517 -14.749 -2.300 1.00 1.02 H new ATOM 0 HE21 GLN A 35 5.437 -13.456 -3.738 1.00 2.27 H new ATOM 0 HE22 GLN A 35 5.567 -14.643 -5.040 1.00 2.27 H new ATOM 550 N PHE A 36 2.320 -10.148 -1.594 1.00 0.33 N ATOM 551 CA PHE A 36 3.146 -9.219 -0.832 1.00 0.29 C ATOM 552 C PHE A 36 2.609 -8.982 0.580 1.00 0.23 C ATOM 553 O PHE A 36 3.381 -8.748 1.505 1.00 0.29 O ATOM 554 CB PHE A 36 3.275 -7.886 -1.571 1.00 0.34 C ATOM 555 CG PHE A 36 4.623 -7.683 -2.209 1.00 0.45 C ATOM 556 CD1 PHE A 36 5.164 -8.651 -3.037 1.00 0.56 C ATOM 557 CD2 PHE A 36 5.349 -6.524 -1.976 1.00 0.64 C ATOM 558 CE1 PHE A 36 6.406 -8.473 -3.617 1.00 0.77 C ATOM 559 CE2 PHE A 36 6.590 -6.338 -2.555 1.00 0.83 C ATOM 560 CZ PHE A 36 7.120 -7.315 -3.377 1.00 0.87 C ATOM 0 H PHE A 36 1.839 -9.728 -2.390 1.00 0.33 H new ATOM 0 HA PHE A 36 4.130 -9.679 -0.735 1.00 0.29 H new ATOM 0 HB2 PHE A 36 2.505 -7.830 -2.341 1.00 0.34 H new ATOM 0 HB3 PHE A 36 3.086 -7.072 -0.871 1.00 0.34 H new ATOM 0 HD1 PHE A 36 4.609 -9.557 -3.232 1.00 0.56 H new ATOM 0 HD2 PHE A 36 4.939 -5.758 -1.334 1.00 0.64 H new ATOM 0 HE1 PHE A 36 6.818 -9.239 -4.257 1.00 0.77 H new ATOM 0 HE2 PHE A 36 7.145 -5.431 -2.366 1.00 0.83 H new ATOM 0 HZ PHE A 36 8.090 -7.173 -3.830 1.00 0.87 H new ATOM 570 N GLU A 37 1.297 -9.057 0.760 1.00 0.25 N ATOM 571 CA GLU A 37 0.724 -8.817 2.077 1.00 0.36 C ATOM 572 C GLU A 37 0.192 -10.085 2.735 1.00 0.30 C ATOM 573 O GLU A 37 0.533 -10.379 3.871 1.00 0.46 O ATOM 574 CB GLU A 37 -0.378 -7.760 2.000 1.00 0.54 C ATOM 575 CG GLU A 37 -0.618 -7.042 3.320 1.00 0.95 C ATOM 576 CD GLU A 37 0.676 -6.648 4.013 1.00 1.33 C ATOM 577 OE1 GLU A 37 1.613 -6.203 3.321 1.00 1.89 O1- ATOM 578 OE2 GLU A 37 0.765 -6.795 5.255 1.00 1.87 O ATOM 0 H GLU A 37 0.622 -9.277 0.028 1.00 0.25 H new ATOM 0 HA GLU A 37 1.536 -8.450 2.705 1.00 0.36 H new ATOM 0 HB2 GLU A 37 -0.115 -7.026 1.238 1.00 0.54 H new ATOM 0 HB3 GLU A 37 -1.305 -8.235 1.679 1.00 0.54 H new ATOM 0 HG2 GLU A 37 -1.216 -6.149 3.140 1.00 0.95 H new ATOM 0 HG3 GLU A 37 -1.198 -7.687 3.980 1.00 0.95 H new ATOM 585 N GLU A 38 -0.614 -10.852 2.028 1.00 0.30 N ATOM 586 CA GLU A 38 -1.189 -12.062 2.609 1.00 0.37 C ATOM 587 C GLU A 38 -0.122 -13.135 2.852 1.00 0.34 C ATOM 588 O GLU A 38 -0.276 -13.987 3.731 1.00 0.50 O ATOM 589 CB GLU A 38 -2.301 -12.606 1.712 1.00 0.55 C ATOM 590 CG GLU A 38 -3.261 -13.552 2.420 1.00 0.99 C ATOM 591 CD GLU A 38 -3.649 -13.071 3.808 1.00 1.34 C ATOM 592 OE1 GLU A 38 -4.056 -11.902 3.953 1.00 2.00 O1- ATOM 593 OE2 GLU A 38 -3.535 -13.866 4.764 1.00 1.89 O ATOM 0 H GLU A 38 -0.887 -10.668 1.063 1.00 0.30 H new ATOM 0 HA GLU A 38 -1.614 -11.796 3.577 1.00 0.37 H new ATOM 0 HB2 GLU A 38 -2.867 -11.769 1.304 1.00 0.55 H new ATOM 0 HB3 GLU A 38 -1.850 -13.127 0.868 1.00 0.55 H new ATOM 0 HG2 GLU A 38 -4.161 -13.667 1.816 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -2.801 -14.537 2.498 1.00 0.99 H new ATOM 600 N VAL A 39 0.962 -13.089 2.093 1.00 0.33 N ATOM 601 CA VAL A 39 2.020 -14.074 2.246 1.00 0.37 C ATOM 602 C VAL A 39 3.258 -13.468 2.903 1.00 0.31 C ATOM 603 O VAL A 39 3.713 -13.948 3.940 1.00 0.43 O ATOM 604 CB VAL A 39 2.403 -14.704 0.892 1.00 0.48 C ATOM 605 CG1 VAL A 39 3.561 -15.680 1.052 1.00 0.58 C ATOM 606 CG2 VAL A 39 1.202 -15.404 0.270 1.00 0.58 C ATOM 0 H VAL A 39 1.131 -12.388 1.372 1.00 0.33 H new ATOM 0 HA VAL A 39 1.630 -14.857 2.897 1.00 0.37 H new ATOM 0 HB VAL A 39 2.723 -13.903 0.226 1.00 0.48 H new ATOM 0 HG11 VAL A 39 3.811 -16.110 0.082 1.00 0.58 H new ATOM 0 HG12 VAL A 39 4.428 -15.153 1.450 1.00 0.58 H new ATOM 0 HG13 VAL A 39 3.274 -16.476 1.739 1.00 0.58 H new ATOM 0 HG21 VAL A 39 1.491 -15.843 -0.685 1.00 0.58 H new ATOM 0 HG22 VAL A 39 0.852 -16.190 0.939 1.00 0.58 H new ATOM 0 HG23 VAL A 39 0.402 -14.681 0.110 1.00 0.58 H new ATOM 616 N LEU A 40 3.794 -12.411 2.310 1.00 0.24 N ATOM 617 CA LEU A 40 4.991 -11.770 2.844 1.00 0.24 C ATOM 618 C LEU A 40 4.664 -10.821 4.000 1.00 0.23 C ATOM 619 O LEU A 40 5.457 -10.679 4.933 1.00 0.27 O ATOM 620 CB LEU A 40 5.726 -11.004 1.737 1.00 0.26 C ATOM 621 CG LEU A 40 6.092 -11.826 0.495 1.00 0.31 C ATOM 622 CD1 LEU A 40 6.941 -11.002 -0.461 1.00 0.35 C ATOM 623 CD2 LEU A 40 6.829 -13.097 0.889 1.00 0.41 C ATOM 0 H LEU A 40 3.423 -11.980 1.463 1.00 0.24 H new ATOM 0 HA LEU A 40 5.635 -12.560 3.230 1.00 0.24 H new ATOM 0 HB2 LEU A 40 5.104 -10.165 1.425 1.00 0.26 H new ATOM 0 HB3 LEU A 40 6.641 -10.584 2.156 1.00 0.26 H new ATOM 0 HG LEU A 40 5.168 -12.104 -0.011 1.00 0.31 H new ATOM 0 HD11 LEU A 40 7.191 -11.602 -1.336 1.00 0.35 H new ATOM 0 HD12 LEU A 40 6.384 -10.119 -0.774 1.00 0.35 H new ATOM 0 HD13 LEU A 40 7.858 -10.693 0.041 1.00 0.35 H new ATOM 0 HD21 LEU A 40 7.079 -13.665 -0.007 1.00 0.41 H new ATOM 0 HD22 LEU A 40 7.744 -12.837 1.421 1.00 0.41 H new ATOM 0 HD23 LEU A 40 6.193 -13.701 1.536 1.00 0.41 H new ATOM 635 N HIS A 41 3.500 -10.182 3.929 1.00 0.20 N ATOM 636 CA HIS A 41 3.050 -9.230 4.953 1.00 0.23 C ATOM 637 C HIS A 41 4.039 -8.080 5.102 1.00 0.22 C ATOM 638 O HIS A 41 4.634 -7.891 6.164 1.00 0.28 O ATOM 639 CB HIS A 41 2.829 -9.917 6.307 1.00 0.30 C ATOM 640 CG HIS A 41 1.382 -10.082 6.667 1.00 0.42 C ATOM 641 ND1 HIS A 41 0.453 -9.072 6.545 1.00 0.82 N ATOM 642 CD2 HIS A 41 0.703 -11.159 7.127 1.00 0.62 C ATOM 643 CE1 HIS A 41 -0.731 -9.518 6.913 1.00 0.84 C ATOM 644 NE2 HIS A 41 -0.612 -10.784 7.271 1.00 0.68 N ATOM 0 H HIS A 41 2.839 -10.306 3.162 1.00 0.20 H new ATOM 0 HA HIS A 41 2.094 -8.828 4.619 1.00 0.23 H new ATOM 0 HB2 HIS A 41 3.305 -10.898 6.289 1.00 0.30 H new ATOM 0 HB3 HIS A 41 3.325 -9.336 7.085 1.00 0.30 H new ATOM 0 HD1 HIS A 41 0.651 -8.126 6.220 1.00 0.82 H new ATOM 0 HD2 HIS A 41 1.118 -12.133 7.341 1.00 0.62 H new ATOM 0 HE1 HIS A 41 -1.646 -8.944 6.921 1.00 0.84 H new ATOM 653 N ILE A 42 4.194 -7.307 4.035 1.00 0.23 N ATOM 654 CA ILE A 42 5.118 -6.189 4.029 1.00 0.26 C ATOM 655 C ILE A 42 4.607 -5.048 4.901 1.00 0.27 C ATOM 656 O ILE A 42 5.324 -4.560 5.776 1.00 0.31 O ATOM 657 CB ILE A 42 5.353 -5.670 2.593 1.00 0.32 C ATOM 658 CG1 ILE A 42 5.922 -6.785 1.703 1.00 0.36 C ATOM 659 CG2 ILE A 42 6.273 -4.459 2.600 1.00 0.37 C ATOM 660 CD1 ILE A 42 7.276 -7.301 2.149 1.00 0.41 C ATOM 0 H ILE A 42 3.687 -7.438 3.160 1.00 0.23 H new ATOM 0 HA ILE A 42 6.062 -6.550 4.436 1.00 0.26 H new ATOM 0 HB ILE A 42 4.393 -5.360 2.180 1.00 0.32 H new ATOM 0 HG12 ILE A 42 5.217 -7.616 1.684 1.00 0.36 H new ATOM 0 HG13 ILE A 42 6.005 -6.414 0.682 1.00 0.36 H new ATOM 0 HG21 ILE A 42 6.424 -4.111 1.578 1.00 0.37 H new ATOM 0 HG22 ILE A 42 5.822 -3.663 3.192 1.00 0.37 H new ATOM 0 HG23 ILE A 42 7.234 -4.734 3.035 1.00 0.37 H new ATOM 0 HD11 ILE A 42 7.608 -8.086 1.469 1.00 0.41 H new ATOM 0 HD12 ILE A 42 7.998 -6.484 2.141 1.00 0.41 H new ATOM 0 HD13 ILE A 42 7.197 -7.705 3.158 1.00 0.41 H new ATOM 672 N SER A 43 3.362 -4.652 4.680 1.00 0.33 N ATOM 673 CA SER A 43 2.761 -3.560 5.436 1.00 0.39 C ATOM 674 C SER A 43 2.773 -3.859 6.931 1.00 0.38 C ATOM 675 O SER A 43 3.197 -3.026 7.734 1.00 0.45 O ATOM 676 CB SER A 43 1.328 -3.319 4.969 1.00 0.50 C ATOM 677 OG SER A 43 1.256 -3.264 3.557 1.00 1.03 O ATOM 0 H SER A 43 2.747 -5.070 3.983 1.00 0.33 H new ATOM 0 HA SER A 43 3.353 -2.662 5.258 1.00 0.39 H new ATOM 0 HB2 SER A 43 0.683 -4.116 5.339 1.00 0.50 H new ATOM 0 HB3 SER A 43 0.956 -2.386 5.392 1.00 0.50 H new ATOM 0 HG SER A 43 1.864 -2.571 3.225 1.00 1.03 H new ATOM 683 N ASP A 44 2.312 -5.053 7.290 1.00 0.37 N ATOM 684 CA ASP A 44 2.269 -5.476 8.691 1.00 0.44 C ATOM 685 C ASP A 44 3.671 -5.508 9.293 1.00 0.41 C ATOM 686 O ASP A 44 3.891 -5.010 10.397 1.00 0.52 O ATOM 687 CB ASP A 44 1.606 -6.855 8.826 1.00 0.51 C ATOM 688 CG ASP A 44 1.636 -7.385 10.250 1.00 0.92 C ATOM 689 OD1 ASP A 44 0.841 -6.909 11.093 1.00 1.43 O1- ATOM 690 OD2 ASP A 44 2.451 -8.285 10.533 1.00 1.73 O ATOM 0 H ASP A 44 1.962 -5.748 6.631 1.00 0.37 H new ATOM 0 HA ASP A 44 1.672 -4.748 9.240 1.00 0.44 H new ATOM 0 HB2 ASP A 44 0.571 -6.790 8.489 1.00 0.51 H new ATOM 0 HB3 ASP A 44 2.112 -7.562 8.169 1.00 0.51 H new ATOM 695 N ASN A 45 4.618 -6.070 8.550 1.00 0.33 N ATOM 696 CA ASN A 45 6.003 -6.164 9.011 1.00 0.37 C ATOM 697 C ASN A 45 6.599 -4.779 9.217 1.00 0.39 C ATOM 698 O ASN A 45 7.299 -4.532 10.198 1.00 0.48 O ATOM 699 CB ASN A 45 6.859 -6.940 8.007 1.00 0.38 C ATOM 700 CG ASN A 45 7.370 -8.249 8.569 1.00 0.68 C ATOM 701 OD1 ASN A 45 8.377 -8.283 9.274 1.00 1.19 O ATOM 702 ND2 ASN A 45 6.688 -9.337 8.250 1.00 1.12 N ATOM 0 H ASN A 45 4.454 -6.468 7.625 1.00 0.33 H new ATOM 0 HA ASN A 45 5.998 -6.696 9.962 1.00 0.37 H new ATOM 0 HB2 ASN A 45 6.271 -7.138 7.111 1.00 0.38 H new ATOM 0 HB3 ASN A 45 7.705 -6.324 7.704 1.00 0.38 H new ATOM 0 HD21 ASN A 45 6.993 -10.248 8.592 1.00 1.12 H new ATOM 0 HD22 ASN A 45 5.858 -9.264 7.662 1.00 1.12 H new ATOM 709 N VAL A 46 6.305 -3.876 8.289 1.00 0.33 N ATOM 710 CA VAL A 46 6.801 -2.509 8.355 1.00 0.36 C ATOM 711 C VAL A 46 6.191 -1.774 9.549 1.00 0.43 C ATOM 712 O VAL A 46 6.890 -1.072 10.275 1.00 0.49 O ATOM 713 CB VAL A 46 6.507 -1.747 7.039 1.00 0.33 C ATOM 714 CG1 VAL A 46 6.709 -0.250 7.207 1.00 0.43 C ATOM 715 CG2 VAL A 46 7.387 -2.270 5.915 1.00 0.31 C ATOM 0 H VAL A 46 5.720 -4.070 7.476 1.00 0.33 H new ATOM 0 HA VAL A 46 7.882 -2.548 8.488 1.00 0.36 H new ATOM 0 HB VAL A 46 5.462 -1.920 6.783 1.00 0.33 H new ATOM 0 HG11 VAL A 46 6.494 0.254 6.265 1.00 0.43 H new ATOM 0 HG12 VAL A 46 6.037 0.123 7.980 1.00 0.43 H new ATOM 0 HG13 VAL A 46 7.741 -0.052 7.497 1.00 0.43 H new ATOM 0 HG21 VAL A 46 7.168 -1.724 4.997 1.00 0.31 H new ATOM 0 HG22 VAL A 46 8.435 -2.130 6.179 1.00 0.31 H new ATOM 0 HG23 VAL A 46 7.189 -3.331 5.762 1.00 0.31 H new ATOM 725 N LYS A 47 4.890 -1.967 9.767 1.00 0.46 N ATOM 726 CA LYS A 47 4.191 -1.323 10.883 1.00 0.56 C ATOM 727 C LYS A 47 4.811 -1.706 12.222 1.00 0.60 C ATOM 728 O LYS A 47 4.818 -0.911 13.163 1.00 0.70 O ATOM 729 CB LYS A 47 2.704 -1.707 10.893 1.00 0.61 C ATOM 730 CG LYS A 47 1.892 -1.066 9.778 1.00 0.70 C ATOM 731 CD LYS A 47 0.422 -1.470 9.850 1.00 0.88 C ATOM 732 CE LYS A 47 -0.385 -0.851 8.720 1.00 1.14 C ATOM 733 NZ LYS A 47 -1.852 -1.017 8.918 1.00 1.53 N1+ ATOM 0 H LYS A 47 4.298 -2.563 9.188 1.00 0.46 H new ATOM 0 HA LYS A 47 4.288 -0.247 10.742 1.00 0.56 H new ATOM 0 HB2 LYS A 47 2.619 -2.791 10.814 1.00 0.61 H new ATOM 0 HB3 LYS A 47 2.272 -1.423 11.853 1.00 0.61 H new ATOM 0 HG2 LYS A 47 1.975 0.019 9.844 1.00 0.70 H new ATOM 0 HG3 LYS A 47 2.304 -1.359 8.812 1.00 0.70 H new ATOM 0 HD2 LYS A 47 0.340 -2.556 9.804 1.00 0.88 H new ATOM 0 HD3 LYS A 47 0.005 -1.159 10.808 1.00 0.88 H new ATOM 0 HE2 LYS A 47 -0.148 0.210 8.646 1.00 1.14 H new ATOM 0 HE3 LYS A 47 -0.094 -1.309 7.775 1.00 1.14 H new ATOM 0 HZ1 LYS A 47 -2.354 -0.719 8.058 1.00 1.53 H new ATOM 0 HZ2 LYS A 47 -2.065 -2.016 9.115 1.00 1.53 H new ATOM 0 HZ3 LYS A 47 -2.162 -0.433 9.720 1.00 1.53 H new ATOM 747 N LYS A 48 5.343 -2.919 12.297 1.00 0.55 N ATOM 748 CA LYS A 48 5.951 -3.414 13.527 1.00 0.62 C ATOM 749 C LYS A 48 7.419 -3.011 13.632 1.00 0.61 C ATOM 750 O LYS A 48 8.108 -3.393 14.578 1.00 0.77 O ATOM 751 CB LYS A 48 5.825 -4.934 13.609 1.00 0.71 C ATOM 752 CG LYS A 48 4.404 -5.442 13.441 1.00 0.83 C ATOM 753 CD LYS A 48 4.197 -6.775 14.143 1.00 0.98 C ATOM 754 CE LYS A 48 2.991 -7.521 13.593 1.00 1.52 C ATOM 755 NZ LYS A 48 1.757 -6.691 13.614 1.00 2.02 N1+ ATOM 0 H LYS A 48 5.366 -3.580 11.520 1.00 0.55 H new ATOM 0 HA LYS A 48 5.415 -2.961 14.361 1.00 0.62 H new ATOM 0 HB2 LYS A 48 6.454 -5.383 12.841 1.00 0.71 H new ATOM 0 HB3 LYS A 48 6.209 -5.269 14.572 1.00 0.71 H new ATOM 0 HG2 LYS A 48 3.705 -4.707 13.841 1.00 0.83 H new ATOM 0 HG3 LYS A 48 4.179 -5.551 12.380 1.00 0.83 H new ATOM 0 HD2 LYS A 48 5.089 -7.390 14.026 1.00 0.98 H new ATOM 0 HD3 LYS A 48 4.064 -6.606 15.212 1.00 0.98 H new ATOM 0 HE2 LYS A 48 3.197 -7.836 12.570 1.00 1.52 H new ATOM 0 HE3 LYS A 48 2.828 -8.426 14.179 1.00 1.52 H new ATOM 0 HZ1 LYS A 48 0.994 -7.215 14.089 1.00 2.02 H new ATOM 0 HZ2 LYS A 48 1.942 -5.807 14.129 1.00 2.02 H new ATOM 0 HZ3 LYS A 48 1.470 -6.470 12.639 1.00 2.02 H new ATOM 769 N LYS A 49 7.895 -2.244 12.663 1.00 0.53 N ATOM 770 CA LYS A 49 9.283 -1.802 12.655 1.00 0.54 C ATOM 771 C LYS A 49 9.386 -0.331 12.267 1.00 0.52 C ATOM 772 O LYS A 49 10.428 0.127 11.804 1.00 0.64 O ATOM 773 CB LYS A 49 10.108 -2.671 11.700 1.00 0.58 C ATOM 774 CG LYS A 49 10.551 -3.992 12.317 1.00 0.78 C ATOM 775 CD LYS A 49 11.293 -4.863 11.318 1.00 0.87 C ATOM 776 CE LYS A 49 10.341 -5.722 10.493 1.00 1.19 C ATOM 777 NZ LYS A 49 10.045 -7.024 11.148 1.00 1.44 N1+ ATOM 0 H LYS A 49 7.342 -1.914 11.872 1.00 0.53 H new ATOM 0 HA LYS A 49 9.684 -1.911 13.663 1.00 0.54 H new ATOM 0 HB2 LYS A 49 9.519 -2.875 10.806 1.00 0.58 H new ATOM 0 HB3 LYS A 49 10.989 -2.113 11.382 1.00 0.58 H new ATOM 0 HG2 LYS A 49 11.194 -3.795 13.175 1.00 0.78 H new ATOM 0 HG3 LYS A 49 9.679 -4.529 12.690 1.00 0.78 H new ATOM 0 HD2 LYS A 49 11.881 -4.231 10.652 1.00 0.87 H new ATOM 0 HD3 LYS A 49 11.995 -5.506 11.849 1.00 0.87 H new ATOM 0 HE2 LYS A 49 9.410 -5.178 10.333 1.00 1.19 H new ATOM 0 HE3 LYS A 49 10.777 -5.903 9.510 1.00 1.19 H new ATOM 0 HZ1 LYS A 49 9.159 -7.412 10.765 1.00 1.44 H new ATOM 0 HZ2 LYS A 49 10.822 -7.690 10.964 1.00 1.44 H new ATOM 0 HZ3 LYS A 49 9.947 -6.882 12.174 1.00 1.44 H new ATOM 791 N LEU A 50 8.310 0.408 12.474 1.00 0.53 N ATOM 792 CA LEU A 50 8.287 1.825 12.146 1.00 0.54 C ATOM 793 C LEU A 50 8.511 2.665 13.401 1.00 0.54 C ATOM 794 O LEU A 50 8.084 2.281 14.491 1.00 0.59 O ATOM 795 CB LEU A 50 6.953 2.218 11.503 1.00 0.60 C ATOM 796 CG LEU A 50 6.852 1.985 9.997 1.00 0.64 C ATOM 797 CD1 LEU A 50 5.523 2.494 9.470 1.00 1.00 C ATOM 798 CD2 LEU A 50 8.009 2.654 9.264 1.00 0.91 C ATOM 0 H LEU A 50 7.439 0.051 12.868 1.00 0.53 H new ATOM 0 HA LEU A 50 9.090 2.015 11.434 1.00 0.54 H new ATOM 0 HB2 LEU A 50 6.156 1.660 11.993 1.00 0.60 H new ATOM 0 HB3 LEU A 50 6.771 3.274 11.702 1.00 0.60 H new ATOM 0 HG LEU A 50 6.911 0.912 9.814 1.00 0.64 H new ATOM 0 HD11 LEU A 50 5.467 2.320 8.395 1.00 1.00 H new ATOM 0 HD12 LEU A 50 4.709 1.966 9.966 1.00 1.00 H new ATOM 0 HD13 LEU A 50 5.437 3.562 9.670 1.00 1.00 H new ATOM 0 HD21 LEU A 50 7.914 2.473 8.193 1.00 0.91 H new ATOM 0 HD22 LEU A 50 7.988 3.727 9.454 1.00 0.91 H new ATOM 0 HD23 LEU A 50 8.953 2.240 9.620 1.00 0.91 H new ATOM 810 N PRO A 51 9.198 3.813 13.268 1.00 0.57 N ATOM 811 CA PRO A 51 9.456 4.714 14.390 1.00 0.64 C ATOM 812 C PRO A 51 8.180 5.410 14.850 1.00 0.63 C ATOM 813 O PRO A 51 7.165 5.406 14.148 1.00 0.66 O ATOM 814 CB PRO A 51 10.449 5.746 13.828 1.00 0.73 C ATOM 815 CG PRO A 51 10.884 5.219 12.504 1.00 0.74 C ATOM 816 CD PRO A 51 9.784 4.322 12.023 1.00 0.61 C ATOM 0 HA PRO A 51 9.841 4.180 15.259 1.00 0.64 H new ATOM 0 HB2 PRO A 51 9.978 6.724 13.723 1.00 0.73 H new ATOM 0 HB3 PRO A 51 11.301 5.872 14.497 1.00 0.73 H new ATOM 0 HG2 PRO A 51 11.057 6.033 11.800 1.00 0.74 H new ATOM 0 HG3 PRO A 51 11.821 4.670 12.594 1.00 0.74 H new ATOM 0 HD2 PRO A 51 9.052 4.867 11.427 1.00 0.61 H new ATOM 0 HD3 PRO A 51 10.167 3.515 11.399 1.00 0.61 H new ATOM 824 N GLU A 52 8.238 6.006 16.025 1.00 0.71 N ATOM 825 CA GLU A 52 7.094 6.704 16.577 1.00 0.76 C ATOM 826 C GLU A 52 6.837 7.995 15.806 1.00 0.75 C ATOM 827 O GLU A 52 7.776 8.689 15.409 1.00 0.82 O ATOM 828 CB GLU A 52 7.333 7.007 18.051 1.00 0.88 C ATOM 829 CG GLU A 52 7.564 5.764 18.890 1.00 1.52 C ATOM 830 CD GLU A 52 6.396 5.452 19.794 1.00 1.98 C ATOM 831 OE1 GLU A 52 6.269 6.110 20.847 1.00 2.38 O1- ATOM 832 OE2 GLU A 52 5.598 4.553 19.454 1.00 2.63 O ATOM 0 H GLU A 52 9.068 6.021 16.617 1.00 0.71 H new ATOM 0 HA GLU A 52 6.215 6.067 16.485 1.00 0.76 H new ATOM 0 HB2 GLU A 52 8.197 7.665 18.144 1.00 0.88 H new ATOM 0 HB3 GLU A 52 6.475 7.550 18.447 1.00 0.88 H new ATOM 0 HG2 GLU A 52 7.747 4.914 18.232 1.00 1.52 H new ATOM 0 HG3 GLU A 52 8.461 5.899 19.494 1.00 1.52 H new ATOM 839 N GLY A 53 5.569 8.293 15.573 1.00 0.76 N ATOM 840 CA GLY A 53 5.207 9.496 14.849 1.00 0.77 C ATOM 841 C GLY A 53 5.138 9.263 13.355 1.00 0.72 C ATOM 842 O GLY A 53 4.680 10.123 12.602 1.00 0.82 O ATOM 0 H GLY A 53 4.779 7.721 15.873 1.00 0.76 H new ATOM 0 HA2 GLY A 53 4.241 9.855 15.204 1.00 0.77 H new ATOM 0 HA3 GLY A 53 5.936 10.279 15.060 1.00 0.77 H new ATOM 846 N VAL A 54 5.587 8.097 12.921 1.00 0.69 N ATOM 847 CA VAL A 54 5.579 7.753 11.510 1.00 0.65 C ATOM 848 C VAL A 54 4.361 6.901 11.182 1.00 0.65 C ATOM 849 O VAL A 54 4.349 5.696 11.429 1.00 0.74 O ATOM 850 CB VAL A 54 6.866 7.002 11.104 1.00 0.64 C ATOM 851 CG1 VAL A 54 6.934 6.812 9.597 1.00 0.85 C ATOM 852 CG2 VAL A 54 8.095 7.748 11.597 1.00 1.03 C ATOM 0 H VAL A 54 5.963 7.370 13.529 1.00 0.69 H new ATOM 0 HA VAL A 54 5.535 8.683 10.943 1.00 0.65 H new ATOM 0 HB VAL A 54 6.843 6.017 11.571 1.00 0.64 H new ATOM 0 HG11 VAL A 54 7.850 6.281 9.338 1.00 0.85 H new ATOM 0 HG12 VAL A 54 6.072 6.233 9.264 1.00 0.85 H new ATOM 0 HG13 VAL A 54 6.929 7.786 9.107 1.00 0.85 H new ATOM 0 HG21 VAL A 54 8.993 7.205 11.302 1.00 1.03 H new ATOM 0 HG22 VAL A 54 8.115 8.746 11.159 1.00 1.03 H new ATOM 0 HG23 VAL A 54 8.060 7.829 12.683 1.00 1.03 H new ATOM 862 N LYS A 55 3.328 7.539 10.652 1.00 0.64 N ATOM 863 CA LYS A 55 2.106 6.839 10.291 1.00 0.66 C ATOM 864 C LYS A 55 2.249 6.210 8.908 1.00 0.58 C ATOM 865 O LYS A 55 2.576 6.895 7.934 1.00 0.61 O ATOM 866 CB LYS A 55 0.909 7.795 10.312 1.00 0.76 C ATOM 867 CG LYS A 55 -0.423 7.100 10.067 1.00 1.35 C ATOM 868 CD LYS A 55 -1.171 7.713 8.890 1.00 1.43 C ATOM 869 CE LYS A 55 -2.275 6.793 8.388 1.00 2.21 C ATOM 870 NZ LYS A 55 -3.312 6.546 9.422 1.00 2.51 N1+ ATOM 0 H LYS A 55 3.312 8.541 10.463 1.00 0.64 H new ATOM 0 HA LYS A 55 1.932 6.051 11.023 1.00 0.66 H new ATOM 0 HB2 LYS A 55 0.874 8.301 11.277 1.00 0.76 H new ATOM 0 HB3 LYS A 55 1.054 8.564 9.553 1.00 0.76 H new ATOM 0 HG2 LYS A 55 -0.251 6.041 9.877 1.00 1.35 H new ATOM 0 HG3 LYS A 55 -1.039 7.167 10.964 1.00 1.35 H new ATOM 0 HD2 LYS A 55 -1.601 8.669 9.189 1.00 1.43 H new ATOM 0 HD3 LYS A 55 -0.471 7.918 8.080 1.00 1.43 H new ATOM 0 HE2 LYS A 55 -2.741 7.234 7.507 1.00 2.21 H new ATOM 0 HE3 LYS A 55 -1.841 5.843 8.077 1.00 2.21 H new ATOM 0 HZ1 LYS A 55 -4.077 5.971 9.016 1.00 2.51 H new ATOM 0 HZ2 LYS A 55 -2.888 6.040 10.225 1.00 2.51 H new ATOM 0 HZ3 LYS A 55 -3.699 7.454 9.750 1.00 2.51 H new ATOM 884 N MET A 56 2.017 4.908 8.831 1.00 0.55 N ATOM 885 CA MET A 56 2.108 4.189 7.570 1.00 0.50 C ATOM 886 C MET A 56 0.914 4.544 6.690 1.00 0.47 C ATOM 887 O MET A 56 -0.229 4.471 7.136 1.00 0.59 O ATOM 888 CB MET A 56 2.159 2.680 7.834 1.00 0.57 C ATOM 889 CG MET A 56 2.414 1.856 6.589 1.00 0.85 C ATOM 890 SD MET A 56 0.909 1.112 5.935 1.00 1.09 S ATOM 891 CE MET A 56 1.538 0.412 4.416 1.00 1.28 C ATOM 0 H MET A 56 1.764 4.327 9.630 1.00 0.55 H new ATOM 0 HA MET A 56 3.021 4.478 7.050 1.00 0.50 H new ATOM 0 HB2 MET A 56 2.942 2.473 8.563 1.00 0.57 H new ATOM 0 HB3 MET A 56 1.216 2.366 8.281 1.00 0.57 H new ATOM 0 HG2 MET A 56 2.865 2.489 5.824 1.00 0.85 H new ATOM 0 HG3 MET A 56 3.134 1.070 6.818 1.00 0.85 H new ATOM 0 HE1 MET A 56 0.999 -0.508 4.189 1.00 1.28 H new ATOM 0 HE2 MET A 56 1.399 1.124 3.602 1.00 1.28 H new ATOM 0 HE3 MET A 56 2.600 0.192 4.529 1.00 1.28 H new ATOM 901 N THR A 57 1.178 4.949 5.455 1.00 0.42 N ATOM 902 CA THR A 57 0.109 5.323 4.544 1.00 0.43 C ATOM 903 C THR A 57 0.097 4.411 3.321 1.00 0.41 C ATOM 904 O THR A 57 1.076 4.336 2.577 1.00 0.47 O ATOM 905 CB THR A 57 0.258 6.791 4.095 1.00 0.48 C ATOM 906 OG1 THR A 57 1.068 7.511 5.038 1.00 0.60 O ATOM 907 CG2 THR A 57 -1.106 7.452 3.986 1.00 0.61 C ATOM 0 H THR A 57 2.117 5.026 5.064 1.00 0.42 H new ATOM 0 HA THR A 57 -0.835 5.212 5.078 1.00 0.43 H new ATOM 0 HB THR A 57 0.739 6.808 3.117 1.00 0.48 H new ATOM 0 HG1 THR A 57 2.006 7.249 4.930 1.00 0.60 H new ATOM 0 HG21 THR A 57 -0.984 8.488 3.668 1.00 0.61 H new ATOM 0 HG22 THR A 57 -1.712 6.917 3.255 1.00 0.61 H new ATOM 0 HG23 THR A 57 -1.601 7.426 4.957 1.00 0.61 H new ATOM 915 N LYS A 58 -1.013 3.712 3.135 1.00 0.39 N ATOM 916 CA LYS A 58 -1.180 2.796 2.014 1.00 0.39 C ATOM 917 C LYS A 58 -2.269 3.307 1.075 1.00 0.37 C ATOM 918 O LYS A 58 -3.420 3.462 1.477 1.00 0.43 O ATOM 919 CB LYS A 58 -1.543 1.407 2.543 1.00 0.47 C ATOM 920 CG LYS A 58 -1.616 0.331 1.473 1.00 0.77 C ATOM 921 CD LYS A 58 -2.374 -0.894 1.970 1.00 0.84 C ATOM 922 CE LYS A 58 -1.482 -1.839 2.751 1.00 0.86 C ATOM 923 NZ LYS A 58 -0.615 -2.651 1.859 1.00 0.70 N1+ ATOM 0 H LYS A 58 -1.822 3.763 3.754 1.00 0.39 H new ATOM 0 HA LYS A 58 -0.246 2.734 1.456 1.00 0.39 H new ATOM 0 HB2 LYS A 58 -0.806 1.111 3.290 1.00 0.47 H new ATOM 0 HB3 LYS A 58 -2.506 1.464 3.051 1.00 0.47 H new ATOM 0 HG2 LYS A 58 -2.108 0.730 0.586 1.00 0.77 H new ATOM 0 HG3 LYS A 58 -0.608 0.042 1.176 1.00 0.77 H new ATOM 0 HD2 LYS A 58 -3.204 -0.575 2.601 1.00 0.84 H new ATOM 0 HD3 LYS A 58 -2.805 -1.423 1.120 1.00 0.84 H new ATOM 0 HE2 LYS A 58 -0.859 -1.265 3.438 1.00 0.86 H new ATOM 0 HE3 LYS A 58 -2.099 -2.501 3.358 1.00 0.86 H new ATOM 0 HZ1 LYS A 58 0.154 -3.075 2.415 1.00 0.70 H new ATOM 0 HZ2 LYS A 58 -1.180 -3.405 1.418 1.00 0.70 H new ATOM 0 HZ3 LYS A 58 -0.212 -2.042 1.119 1.00 0.70 H new ATOM 937 N TYR A 59 -1.901 3.567 -0.172 1.00 0.36 N ATOM 938 CA TYR A 59 -2.847 4.078 -1.158 1.00 0.39 C ATOM 939 C TYR A 59 -3.162 3.033 -2.228 1.00 0.37 C ATOM 940 O TYR A 59 -2.413 2.074 -2.422 1.00 0.36 O ATOM 941 CB TYR A 59 -2.303 5.354 -1.817 1.00 0.45 C ATOM 942 CG TYR A 59 -2.365 6.599 -0.948 1.00 0.48 C ATOM 943 CD1 TYR A 59 -3.109 6.630 0.227 1.00 0.56 C ATOM 944 CD2 TYR A 59 -1.685 7.750 -1.319 1.00 0.52 C ATOM 945 CE1 TYR A 59 -3.168 7.768 1.006 1.00 0.62 C ATOM 946 CE2 TYR A 59 -1.739 8.893 -0.545 1.00 0.60 C ATOM 947 CZ TYR A 59 -2.481 8.898 0.615 1.00 0.62 C ATOM 948 OH TYR A 59 -2.531 10.035 1.391 1.00 0.71 O ATOM 0 H TYR A 59 -0.954 3.433 -0.526 1.00 0.36 H new ATOM 0 HA TYR A 59 -3.772 4.314 -0.632 1.00 0.39 H new ATOM 0 HB2 TYR A 59 -1.266 5.182 -2.107 1.00 0.45 H new ATOM 0 HB3 TYR A 59 -2.864 5.540 -2.733 1.00 0.45 H new ATOM 0 HD1 TYR A 59 -3.650 5.748 0.535 1.00 0.56 H new ATOM 0 HD2 TYR A 59 -1.103 7.752 -2.229 1.00 0.52 H new ATOM 0 HE1 TYR A 59 -3.749 7.773 1.916 1.00 0.62 H new ATOM 0 HE2 TYR A 59 -1.201 9.779 -0.848 1.00 0.60 H new ATOM 0 HH TYR A 59 -1.992 10.739 0.974 1.00 0.71 H new ATOM 958 N HIS A 60 -4.277 3.234 -2.916 1.00 0.39 N ATOM 959 CA HIS A 60 -4.720 2.327 -3.966 1.00 0.40 C ATOM 960 C HIS A 60 -4.470 2.937 -5.345 1.00 0.42 C ATOM 961 O HIS A 60 -4.763 4.108 -5.573 1.00 0.46 O ATOM 962 CB HIS A 60 -6.215 2.027 -3.789 1.00 0.44 C ATOM 963 CG HIS A 60 -6.751 1.029 -4.767 1.00 0.46 C ATOM 964 ND1 HIS A 60 -7.597 1.358 -5.801 1.00 0.49 N ATOM 965 CD2 HIS A 60 -6.544 -0.301 -4.868 1.00 0.54 C ATOM 966 CE1 HIS A 60 -7.880 0.279 -6.497 1.00 0.51 C ATOM 967 NE2 HIS A 60 -7.251 -0.751 -5.961 1.00 0.57 N ATOM 0 H HIS A 60 -4.899 4.028 -2.763 1.00 0.39 H new ATOM 0 HA HIS A 60 -4.152 1.400 -3.892 1.00 0.40 H new ATOM 0 HB2 HIS A 60 -6.385 1.658 -2.778 1.00 0.44 H new ATOM 0 HB3 HIS A 60 -6.777 2.956 -3.888 1.00 0.44 H new ATOM 0 HD1 HIS A 60 -7.950 2.295 -5.997 1.00 0.49 H new ATOM 0 HD2 HIS A 60 -5.934 -0.903 -4.211 1.00 0.54 H new ATOM 0 HE1 HIS A 60 -8.522 0.241 -7.365 1.00 0.51 H new ATOM 976 N VAL A 61 -3.930 2.138 -6.260 1.00 0.44 N ATOM 977 CA VAL A 61 -3.658 2.602 -7.620 1.00 0.48 C ATOM 978 C VAL A 61 -4.877 2.382 -8.518 1.00 0.49 C ATOM 979 O VAL A 61 -5.694 1.496 -8.256 1.00 0.51 O ATOM 980 CB VAL A 61 -2.438 1.885 -8.233 1.00 0.52 C ATOM 981 CG1 VAL A 61 -1.220 2.029 -7.334 1.00 0.68 C ATOM 982 CG2 VAL A 61 -2.740 0.416 -8.489 1.00 0.55 C ATOM 0 H VAL A 61 -3.672 1.167 -6.087 1.00 0.44 H new ATOM 0 HA VAL A 61 -3.437 3.668 -7.557 1.00 0.48 H new ATOM 0 HB VAL A 61 -2.218 2.358 -9.190 1.00 0.52 H new ATOM 0 HG11 VAL A 61 -0.371 1.516 -7.786 1.00 0.68 H new ATOM 0 HG12 VAL A 61 -0.981 3.085 -7.211 1.00 0.68 H new ATOM 0 HG13 VAL A 61 -1.433 1.589 -6.360 1.00 0.68 H new ATOM 0 HG21 VAL A 61 -1.863 -0.066 -8.921 1.00 0.55 H new ATOM 0 HG22 VAL A 61 -2.996 -0.072 -7.549 1.00 0.55 H new ATOM 0 HG23 VAL A 61 -3.578 0.332 -9.181 1.00 0.55 H new ATOM 992 N ASN A 62 -4.993 3.171 -9.581 1.00 0.54 N ATOM 993 CA ASN A 62 -6.136 3.052 -10.484 1.00 0.57 C ATOM 994 C ASN A 62 -5.775 2.372 -11.802 1.00 0.58 C ATOM 995 O ASN A 62 -6.655 2.082 -12.611 1.00 0.76 O ATOM 996 CB ASN A 62 -6.746 4.427 -10.757 1.00 0.67 C ATOM 997 CG ASN A 62 -7.877 4.747 -9.800 1.00 0.69 C ATOM 998 OD1 ASN A 62 -8.555 3.852 -9.311 1.00 0.77 O ATOM 999 ND2 ASN A 62 -8.093 6.022 -9.527 1.00 0.93 N ATOM 0 H ASN A 62 -4.319 3.892 -9.838 1.00 0.54 H new ATOM 0 HA ASN A 62 -6.868 2.419 -9.983 1.00 0.57 H new ATOM 0 HB2 ASN A 62 -5.972 5.190 -10.672 1.00 0.67 H new ATOM 0 HB3 ASN A 62 -7.117 4.462 -11.781 1.00 0.67 H new ATOM 0 HD21 ASN A 62 -8.845 6.287 -8.890 1.00 0.93 H new ATOM 0 HD22 ASN A 62 -7.508 6.741 -9.953 1.00 0.93 H new ATOM 1006 N PHE A 63 -4.495 2.097 -12.017 1.00 0.54 N ATOM 1007 CA PHE A 63 -4.066 1.443 -13.256 1.00 0.55 C ATOM 1008 C PHE A 63 -4.079 -0.073 -13.100 1.00 0.54 C ATOM 1009 O PHE A 63 -3.508 -0.808 -13.910 1.00 0.62 O ATOM 1010 CB PHE A 63 -2.683 1.935 -13.699 1.00 0.57 C ATOM 1011 CG PHE A 63 -1.602 1.796 -12.665 1.00 0.57 C ATOM 1012 CD1 PHE A 63 -0.847 0.636 -12.580 1.00 0.62 C ATOM 1013 CD2 PHE A 63 -1.328 2.836 -11.793 1.00 0.65 C ATOM 1014 CE1 PHE A 63 0.158 0.517 -11.644 1.00 0.70 C ATOM 1015 CE2 PHE A 63 -0.325 2.722 -10.849 1.00 0.74 C ATOM 1016 CZ PHE A 63 0.419 1.561 -10.777 1.00 0.74 C ATOM 0 H PHE A 63 -3.742 2.311 -11.363 1.00 0.54 H new ATOM 0 HA PHE A 63 -4.777 1.712 -14.037 1.00 0.55 H new ATOM 0 HB2 PHE A 63 -2.386 1.384 -14.591 1.00 0.57 H new ATOM 0 HB3 PHE A 63 -2.761 2.984 -13.984 1.00 0.57 H new ATOM 0 HD1 PHE A 63 -1.049 -0.183 -13.254 1.00 0.62 H new ATOM 0 HD2 PHE A 63 -1.905 3.747 -11.851 1.00 0.65 H new ATOM 0 HE1 PHE A 63 0.741 -0.391 -11.588 1.00 0.70 H new ATOM 0 HE2 PHE A 63 -0.124 3.538 -10.170 1.00 0.74 H new ATOM 0 HZ PHE A 63 1.205 1.469 -10.043 1.00 0.74 H new ATOM 1026 N MET A 64 -4.750 -0.531 -12.058 1.00 0.52 N ATOM 1027 CA MET A 64 -4.865 -1.949 -11.773 1.00 0.53 C ATOM 1028 C MET A 64 -6.238 -2.243 -11.196 1.00 0.55 C ATOM 1029 O MET A 64 -6.429 -2.211 -9.979 1.00 0.60 O ATOM 1030 CB MET A 64 -3.776 -2.402 -10.793 1.00 0.57 C ATOM 1031 CG MET A 64 -2.546 -2.991 -11.469 1.00 0.64 C ATOM 1032 SD MET A 64 -2.387 -4.771 -11.216 1.00 1.06 S ATOM 1033 CE MET A 64 -3.838 -5.368 -12.074 1.00 1.09 C ATOM 0 H MET A 64 -5.230 0.069 -11.387 1.00 0.52 H new ATOM 0 HA MET A 64 -4.735 -2.501 -12.704 1.00 0.53 H new ATOM 0 HB2 MET A 64 -3.472 -1.551 -10.184 1.00 0.57 H new ATOM 0 HB3 MET A 64 -4.197 -3.145 -10.115 1.00 0.57 H new ATOM 0 HG2 MET A 64 -2.592 -2.784 -12.538 1.00 0.64 H new ATOM 0 HG3 MET A 64 -1.655 -2.494 -11.086 1.00 0.64 H new ATOM 0 HE1 MET A 64 -3.860 -6.457 -12.037 1.00 1.09 H new ATOM 0 HE2 MET A 64 -4.733 -4.970 -11.596 1.00 1.09 H new ATOM 0 HE3 MET A 64 -3.806 -5.041 -13.113 1.00 1.09 H new ATOM 1043 N GLY A 65 -7.190 -2.519 -12.071 1.00 0.59 N ATOM 1044 CA GLY A 65 -8.541 -2.803 -11.640 1.00 0.64 C ATOM 1045 C GLY A 65 -9.566 -2.505 -12.711 1.00 0.66 C ATOM 1046 O GLY A 65 -10.749 -2.801 -12.547 1.00 0.78 O ATOM 0 H GLY A 65 -7.049 -2.552 -13.081 1.00 0.59 H new ATOM 0 HA2 GLY A 65 -8.614 -3.852 -11.353 1.00 0.64 H new ATOM 0 HA3 GLY A 65 -8.767 -2.213 -10.752 1.00 0.64 H new ATOM 1050 N GLY A 66 -9.118 -1.902 -13.802 1.00 0.65 N ATOM 1051 CA GLY A 66 -10.020 -1.577 -14.886 1.00 0.71 C ATOM 1052 C GLY A 66 -10.956 -0.445 -14.534 1.00 0.75 C ATOM 1053 O GLY A 66 -10.538 0.557 -13.950 1.00 0.81 O ATOM 0 H GLY A 66 -8.146 -1.632 -13.956 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -9.441 -1.305 -15.768 1.00 0.71 H new ATOM 0 HA3 GLY A 66 -10.603 -2.460 -15.147 1.00 0.71 H new ATOM 1057 N ASP A 67 -12.231 -0.617 -14.853 1.00 0.84 N ATOM 1058 CA ASP A 67 -13.229 0.409 -14.574 1.00 0.96 C ATOM 1059 C ASP A 67 -13.672 0.350 -13.121 1.00 0.91 C ATOM 1060 O ASP A 67 -14.154 1.339 -12.572 1.00 0.93 O ATOM 1061 CB ASP A 67 -14.440 0.265 -15.501 1.00 1.19 C ATOM 1062 CG ASP A 67 -14.500 1.368 -16.538 1.00 1.83 C ATOM 1063 OD1 ASP A 67 -13.527 1.516 -17.313 1.00 2.46 O ATOM 1064 OD2 ASP A 67 -15.521 2.089 -16.594 1.00 2.47 O1- ATOM 0 H ASP A 67 -12.599 -1.454 -15.304 1.00 0.84 H new ATOM 0 HA ASP A 67 -12.768 1.379 -14.759 1.00 0.96 H new ATOM 0 HB2 ASP A 67 -14.398 -0.702 -16.003 1.00 1.19 H new ATOM 0 HB3 ASP A 67 -15.354 0.277 -14.907 1.00 1.19 H new ATOM 1069 N LEU A 68 -13.498 -0.808 -12.498 1.00 0.89 N ATOM 1070 CA LEU A 68 -13.877 -0.986 -11.100 1.00 0.89 C ATOM 1071 C LEU A 68 -12.745 -0.532 -10.182 1.00 0.79 C ATOM 1072 O LEU A 68 -12.923 -0.399 -8.970 1.00 0.82 O ATOM 1073 CB LEU A 68 -14.230 -2.452 -10.819 1.00 0.96 C ATOM 1074 CG LEU A 68 -14.892 -2.714 -9.466 1.00 1.18 C ATOM 1075 CD1 LEU A 68 -16.319 -2.197 -9.458 1.00 1.94 C ATOM 1076 CD2 LEU A 68 -14.869 -4.198 -9.142 1.00 1.07 C ATOM 0 H LEU A 68 -13.098 -1.637 -12.936 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.757 -0.374 -10.902 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -14.896 -2.806 -11.606 1.00 0.96 H new ATOM 0 HB3 LEU A 68 -13.319 -3.047 -10.881 1.00 0.96 H new ATOM 0 HG LEU A 68 -14.327 -2.181 -8.701 1.00 1.18 H new ATOM 0 HD11 LEU A 68 -16.772 -2.394 -8.486 1.00 1.94 H new ATOM 0 HD12 LEU A 68 -16.318 -1.124 -9.648 1.00 1.94 H new ATOM 0 HD13 LEU A 68 -16.893 -2.702 -10.235 1.00 1.94 H new ATOM 0 HD21 LEU A 68 -15.344 -4.367 -8.176 1.00 1.07 H new ATOM 0 HD22 LEU A 68 -15.409 -4.747 -9.913 1.00 1.07 H new ATOM 0 HD23 LEU A 68 -13.837 -4.546 -9.105 1.00 1.07 H new ATOM 1088 N GLY A 69 -11.578 -0.301 -10.772 1.00 0.70 N ATOM 1089 CA GLY A 69 -10.431 0.143 -10.001 1.00 0.65 C ATOM 1090 C GLY A 69 -10.687 1.474 -9.318 1.00 0.64 C ATOM 1091 O GLY A 69 -10.317 1.668 -8.159 1.00 0.63 O ATOM 0 H GLY A 69 -11.405 -0.413 -11.771 1.00 0.70 H new ATOM 0 HA2 GLY A 69 -10.185 -0.608 -9.251 1.00 0.65 H new ATOM 0 HA3 GLY A 69 -9.565 0.233 -10.657 1.00 0.65 H new ATOM 1095 N LYS A 70 -11.343 2.381 -10.038 1.00 0.68 N ATOM 1096 CA LYS A 70 -11.672 3.704 -9.521 1.00 0.71 C ATOM 1097 C LYS A 70 -12.610 3.593 -8.325 1.00 0.73 C ATOM 1098 O LYS A 70 -12.463 4.309 -7.333 1.00 0.74 O ATOM 1099 CB LYS A 70 -12.325 4.543 -10.622 1.00 0.79 C ATOM 1100 CG LYS A 70 -11.337 5.277 -11.514 1.00 0.89 C ATOM 1101 CD LYS A 70 -11.045 6.679 -10.995 1.00 1.35 C ATOM 1102 CE LYS A 70 -10.204 7.471 -11.983 1.00 1.83 C ATOM 1103 NZ LYS A 70 -10.113 8.906 -11.610 1.00 2.69 N1+ ATOM 0 H LYS A 70 -11.660 2.219 -10.994 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.753 4.191 -9.195 1.00 0.71 H new ATOM 0 HB2 LYS A 70 -12.943 3.892 -11.241 1.00 0.79 H new ATOM 0 HB3 LYS A 70 -12.992 5.271 -10.161 1.00 0.79 H new ATOM 0 HG2 LYS A 70 -10.408 4.710 -11.573 1.00 0.89 H new ATOM 0 HG3 LYS A 70 -11.737 5.339 -12.526 1.00 0.89 H new ATOM 0 HD2 LYS A 70 -11.983 7.203 -10.811 1.00 1.35 H new ATOM 0 HD3 LYS A 70 -10.523 6.614 -10.040 1.00 1.35 H new ATOM 0 HE2 LYS A 70 -9.202 7.044 -12.030 1.00 1.83 H new ATOM 0 HE3 LYS A 70 -10.636 7.382 -12.980 1.00 1.83 H new ATOM 0 HZ1 LYS A 70 -9.388 9.371 -12.193 1.00 2.69 H new ATOM 0 HZ2 LYS A 70 -11.033 9.365 -11.769 1.00 2.69 H new ATOM 0 HZ3 LYS A 70 -9.854 8.988 -10.606 1.00 2.69 H new ATOM 1117 N ASP A 71 -13.562 2.673 -8.424 1.00 0.76 N ATOM 1118 CA ASP A 71 -14.540 2.452 -7.362 1.00 0.81 C ATOM 1119 C ASP A 71 -13.860 2.035 -6.068 1.00 0.75 C ATOM 1120 O ASP A 71 -14.130 2.600 -5.008 1.00 0.77 O ATOM 1121 CB ASP A 71 -15.555 1.386 -7.773 1.00 0.88 C ATOM 1122 CG ASP A 71 -16.539 1.895 -8.804 1.00 1.06 C ATOM 1123 OD1 ASP A 71 -16.117 2.183 -9.944 1.00 1.58 O ATOM 1124 OD2 ASP A 71 -17.739 2.014 -8.479 1.00 1.65 O1- ATOM 0 H ASP A 71 -13.679 2.064 -9.234 1.00 0.76 H new ATOM 0 HA ASP A 71 -15.060 3.395 -7.196 1.00 0.81 H new ATOM 0 HB2 ASP A 71 -15.027 0.521 -8.174 1.00 0.88 H new ATOM 0 HB3 ASP A 71 -16.099 1.047 -6.891 1.00 0.88 H new ATOM 1129 N LEU A 72 -12.968 1.053 -6.157 1.00 0.70 N ATOM 1130 CA LEU A 72 -12.258 0.562 -4.982 1.00 0.67 C ATOM 1131 C LEU A 72 -11.321 1.624 -4.406 1.00 0.61 C ATOM 1132 O LEU A 72 -10.969 1.571 -3.231 1.00 0.60 O ATOM 1133 CB LEU A 72 -11.478 -0.716 -5.309 1.00 0.66 C ATOM 1134 CG LEU A 72 -11.981 -1.980 -4.596 1.00 0.95 C ATOM 1135 CD1 LEU A 72 -11.144 -3.190 -4.980 1.00 1.05 C ATOM 1136 CD2 LEU A 72 -11.961 -1.794 -3.086 1.00 1.17 C ATOM 0 H LEU A 72 -12.721 0.583 -7.028 1.00 0.70 H new ATOM 0 HA LEU A 72 -13.006 0.329 -4.225 1.00 0.67 H new ATOM 0 HB2 LEU A 72 -11.518 -0.883 -6.385 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -10.431 -0.562 -5.049 1.00 0.66 H new ATOM 0 HG LEU A 72 -13.009 -2.152 -4.914 1.00 0.95 H new ATOM 0 HD11 LEU A 72 -11.520 -4.072 -4.462 1.00 1.05 H new ATOM 0 HD12 LEU A 72 -11.205 -3.348 -6.057 1.00 1.05 H new ATOM 0 HD13 LEU A 72 -10.105 -3.019 -4.697 1.00 1.05 H new ATOM 0 HD21 LEU A 72 -12.321 -2.702 -2.603 1.00 1.17 H new ATOM 0 HD22 LEU A 72 -10.942 -1.588 -2.758 1.00 1.17 H new ATOM 0 HD23 LEU A 72 -12.605 -0.958 -2.814 1.00 1.17 H new ATOM 1148 N THR A 73 -10.920 2.585 -5.230 1.00 0.60 N ATOM 1149 CA THR A 73 -10.051 3.661 -4.776 1.00 0.57 C ATOM 1150 C THR A 73 -10.811 4.584 -3.827 1.00 0.62 C ATOM 1151 O THR A 73 -10.278 5.018 -2.803 1.00 0.62 O ATOM 1152 CB THR A 73 -9.494 4.454 -5.970 1.00 0.57 C ATOM 1153 OG1 THR A 73 -8.621 3.604 -6.720 1.00 0.56 O ATOM 1154 CG2 THR A 73 -8.732 5.686 -5.518 1.00 0.56 C ATOM 0 H THR A 73 -11.183 2.640 -6.214 1.00 0.60 H new ATOM 0 HA THR A 73 -9.209 3.223 -4.240 1.00 0.57 H new ATOM 0 HB THR A 73 -10.331 4.786 -6.584 1.00 0.57 H new ATOM 0 HG1 THR A 73 -8.869 3.634 -7.667 1.00 0.56 H new ATOM 0 HG21 THR A 73 -8.354 6.220 -6.390 1.00 0.56 H new ATOM 0 HG22 THR A 73 -9.398 6.339 -4.953 1.00 0.56 H new ATOM 0 HG23 THR A 73 -7.896 5.385 -4.886 1.00 0.56 H new ATOM 1162 N GLN A 74 -12.067 4.854 -4.162 1.00 0.67 N ATOM 1163 CA GLN A 74 -12.906 5.700 -3.327 1.00 0.73 C ATOM 1164 C GLN A 74 -13.284 4.934 -2.069 1.00 0.72 C ATOM 1165 O GLN A 74 -13.314 5.488 -0.975 1.00 0.74 O ATOM 1166 CB GLN A 74 -14.158 6.131 -4.089 1.00 0.81 C ATOM 1167 CG GLN A 74 -14.833 7.372 -3.523 1.00 0.90 C ATOM 1168 CD GLN A 74 -15.806 7.996 -4.505 1.00 1.06 C ATOM 1169 OE1 GLN A 74 -15.633 7.876 -5.719 1.00 1.14 O ATOM 1170 NE2 GLN A 74 -16.829 8.667 -3.998 1.00 1.21 N ATOM 0 H GLN A 74 -12.524 4.500 -5.003 1.00 0.67 H new ATOM 0 HA GLN A 74 -12.355 6.600 -3.052 1.00 0.73 H new ATOM 0 HB2 GLN A 74 -13.891 6.318 -5.129 1.00 0.81 H new ATOM 0 HB3 GLN A 74 -14.873 5.308 -4.087 1.00 0.81 H new ATOM 0 HG2 GLN A 74 -15.363 7.109 -2.607 1.00 0.90 H new ATOM 0 HG3 GLN A 74 -14.073 8.105 -3.252 1.00 0.90 H new ATOM 0 HE21 GLN A 74 -16.938 8.744 -2.987 1.00 1.21 H new ATOM 0 HE22 GLN A 74 -17.508 9.107 -4.619 1.00 1.21 H new ATOM 1179 N ALA A 75 -13.550 3.644 -2.245 1.00 0.71 N ATOM 1180 CA ALA A 75 -13.911 2.771 -1.137 1.00 0.70 C ATOM 1181 C ALA A 75 -12.770 2.671 -0.127 1.00 0.64 C ATOM 1182 O ALA A 75 -12.990 2.697 1.084 1.00 0.65 O ATOM 1183 CB ALA A 75 -14.271 1.390 -1.657 1.00 0.71 C ATOM 0 H ALA A 75 -13.522 3.178 -3.152 1.00 0.71 H new ATOM 0 HA ALA A 75 -14.777 3.199 -0.632 1.00 0.70 H new ATOM 0 HB1 ALA A 75 -14.539 0.745 -0.820 1.00 0.71 H new ATOM 0 HB2 ALA A 75 -15.116 1.468 -2.341 1.00 0.71 H new ATOM 0 HB3 ALA A 75 -13.416 0.965 -2.183 1.00 0.71 H new ATOM 1189 N TRP A 76 -11.549 2.556 -0.644 1.00 0.59 N ATOM 1190 CA TRP A 76 -10.362 2.453 0.193 1.00 0.54 C ATOM 1191 C TRP A 76 -10.181 3.716 1.031 1.00 0.56 C ATOM 1192 O TRP A 76 -9.789 3.648 2.195 1.00 0.55 O ATOM 1193 CB TRP A 76 -9.117 2.207 -0.665 1.00 0.50 C ATOM 1194 CG TRP A 76 -7.875 1.985 0.142 1.00 0.46 C ATOM 1195 CD1 TRP A 76 -6.759 2.770 0.161 1.00 0.46 C ATOM 1196 CD2 TRP A 76 -7.624 0.910 1.058 1.00 0.45 C ATOM 1197 NE1 TRP A 76 -5.832 2.253 1.031 1.00 0.44 N ATOM 1198 CE2 TRP A 76 -6.337 1.110 1.591 1.00 0.44 C ATOM 1199 CE3 TRP A 76 -8.360 -0.203 1.478 1.00 0.46 C ATOM 1200 CZ2 TRP A 76 -5.772 0.243 2.523 1.00 0.44 C ATOM 1201 CZ3 TRP A 76 -7.797 -1.064 2.401 1.00 0.47 C ATOM 1202 CH2 TRP A 76 -6.514 -0.839 2.915 1.00 0.46 C ATOM 0 H TRP A 76 -11.358 2.532 -1.646 1.00 0.59 H new ATOM 0 HA TRP A 76 -10.495 1.606 0.866 1.00 0.54 H new ATOM 0 HB2 TRP A 76 -9.289 1.339 -1.301 1.00 0.50 H new ATOM 0 HB3 TRP A 76 -8.965 3.061 -1.325 1.00 0.50 H new ATOM 0 HD1 TRP A 76 -6.625 3.668 -0.424 1.00 0.46 H new ATOM 0 HE1 TRP A 76 -4.916 2.655 1.228 1.00 0.44 H new ATOM 0 HE3 TRP A 76 -9.350 -0.386 1.088 1.00 0.46 H new ATOM 0 HZ2 TRP A 76 -4.784 0.418 2.922 1.00 0.44 H new ATOM 0 HZ3 TRP A 76 -8.357 -1.926 2.732 1.00 0.47 H new ATOM 0 HH2 TRP A 76 -6.102 -1.532 3.634 1.00 0.46 H new ATOM 1213 N ALA A 77 -10.481 4.864 0.431 1.00 0.61 N ATOM 1214 CA ALA A 77 -10.367 6.138 1.126 1.00 0.65 C ATOM 1215 C ALA A 77 -11.296 6.168 2.338 1.00 0.69 C ATOM 1216 O ALA A 77 -10.935 6.684 3.396 1.00 0.71 O ATOM 1217 CB ALA A 77 -10.670 7.283 0.176 1.00 0.70 C ATOM 0 H ALA A 77 -10.804 4.936 -0.534 1.00 0.61 H new ATOM 0 HA ALA A 77 -9.344 6.255 1.483 1.00 0.65 H new ATOM 0 HB1 ALA A 77 -10.581 8.230 0.708 1.00 0.70 H new ATOM 0 HB2 ALA A 77 -9.963 7.265 -0.653 1.00 0.70 H new ATOM 0 HB3 ALA A 77 -11.684 7.177 -0.210 1.00 0.70 H new ATOM 1223 N VAL A 78 -12.487 5.592 2.179 1.00 0.71 N ATOM 1224 CA VAL A 78 -13.460 5.534 3.263 1.00 0.75 C ATOM 1225 C VAL A 78 -12.919 4.667 4.398 1.00 0.71 C ATOM 1226 O VAL A 78 -13.041 5.010 5.575 1.00 0.75 O ATOM 1227 CB VAL A 78 -14.814 4.961 2.781 1.00 0.78 C ATOM 1228 CG1 VAL A 78 -15.802 4.859 3.933 1.00 0.83 C ATOM 1229 CG2 VAL A 78 -15.388 5.808 1.653 1.00 0.84 C ATOM 0 H VAL A 78 -12.799 5.160 1.309 1.00 0.71 H new ATOM 0 HA VAL A 78 -13.626 6.552 3.616 1.00 0.75 H new ATOM 0 HB VAL A 78 -14.637 3.956 2.397 1.00 0.78 H new ATOM 0 HG11 VAL A 78 -16.746 4.454 3.568 1.00 0.83 H new ATOM 0 HG12 VAL A 78 -15.398 4.201 4.702 1.00 0.83 H new ATOM 0 HG13 VAL A 78 -15.972 5.849 4.355 1.00 0.83 H new ATOM 0 HG21 VAL A 78 -16.340 5.387 1.330 1.00 0.84 H new ATOM 0 HG22 VAL A 78 -15.544 6.827 2.006 1.00 0.84 H new ATOM 0 HG23 VAL A 78 -14.692 5.817 0.814 1.00 0.84 H new ATOM 1239 N ALA A 79 -12.299 3.551 4.028 1.00 0.66 N ATOM 1240 CA ALA A 79 -11.726 2.628 5.000 1.00 0.63 C ATOM 1241 C ALA A 79 -10.633 3.307 5.821 1.00 0.63 C ATOM 1242 O ALA A 79 -10.524 3.084 7.026 1.00 0.66 O ATOM 1243 CB ALA A 79 -11.176 1.393 4.301 1.00 0.59 C ATOM 0 H ALA A 79 -12.181 3.263 3.057 1.00 0.66 H new ATOM 0 HA ALA A 79 -12.519 2.319 5.681 1.00 0.63 H new ATOM 0 HB1 ALA A 79 -10.752 0.714 5.041 1.00 0.59 H new ATOM 0 HB2 ALA A 79 -11.981 0.889 3.766 1.00 0.59 H new ATOM 0 HB3 ALA A 79 -10.401 1.690 3.595 1.00 0.59 H new ATOM 1249 N MET A 80 -9.839 4.146 5.164 1.00 0.63 N ATOM 1250 CA MET A 80 -8.753 4.860 5.832 1.00 0.66 C ATOM 1251 C MET A 80 -9.295 5.908 6.795 1.00 0.73 C ATOM 1252 O MET A 80 -8.698 6.174 7.842 1.00 0.79 O ATOM 1253 CB MET A 80 -7.838 5.522 4.802 1.00 0.65 C ATOM 1254 CG MET A 80 -6.832 4.565 4.186 1.00 1.08 C ATOM 1255 SD MET A 80 -5.590 5.405 3.183 1.00 1.04 S ATOM 1256 CE MET A 80 -6.569 5.916 1.773 1.00 1.02 C ATOM 0 H MET A 80 -9.926 4.349 4.168 1.00 0.63 H new ATOM 0 HA MET A 80 -8.178 4.133 6.405 1.00 0.66 H new ATOM 0 HB2 MET A 80 -8.449 5.955 4.010 1.00 0.65 H new ATOM 0 HB3 MET A 80 -7.303 6.344 5.277 1.00 0.65 H new ATOM 0 HG2 MET A 80 -6.335 4.008 4.980 1.00 1.08 H new ATOM 0 HG3 MET A 80 -7.360 3.838 3.569 1.00 1.08 H new ATOM 0 HE1 MET A 80 -5.927 6.000 0.896 1.00 1.02 H new ATOM 0 HE2 MET A 80 -7.347 5.177 1.583 1.00 1.02 H new ATOM 0 HE3 MET A 80 -7.029 6.882 1.980 1.00 1.02 H new ATOM 1266 N ALA A 81 -10.427 6.498 6.438 1.00 0.76 N ATOM 1267 CA ALA A 81 -11.053 7.513 7.272 1.00 0.84 C ATOM 1268 C ALA A 81 -11.726 6.873 8.481 1.00 0.87 C ATOM 1269 O ALA A 81 -11.677 7.407 9.586 1.00 0.99 O ATOM 1270 CB ALA A 81 -12.064 8.317 6.468 1.00 0.89 C ATOM 0 H ALA A 81 -10.931 6.291 5.576 1.00 0.76 H new ATOM 0 HA ALA A 81 -10.276 8.190 7.627 1.00 0.84 H new ATOM 0 HB1 ALA A 81 -12.522 9.071 7.109 1.00 0.89 H new ATOM 0 HB2 ALA A 81 -11.560 8.806 5.635 1.00 0.89 H new ATOM 0 HB3 ALA A 81 -12.836 7.650 6.084 1.00 0.89 H new ATOM 1276 N LEU A 82 -12.345 5.720 8.262 1.00 0.80 N ATOM 1277 CA LEU A 82 -13.024 5.000 9.333 1.00 0.82 C ATOM 1278 C LEU A 82 -12.020 4.291 10.234 1.00 0.81 C ATOM 1279 O LEU A 82 -12.245 4.148 11.435 1.00 0.88 O ATOM 1280 CB LEU A 82 -14.013 3.985 8.755 1.00 0.82 C ATOM 1281 CG LEU A 82 -15.262 4.582 8.102 1.00 0.87 C ATOM 1282 CD1 LEU A 82 -16.148 3.478 7.545 1.00 0.90 C ATOM 1283 CD2 LEU A 82 -16.031 5.438 9.098 1.00 0.97 C ATOM 0 H LEU A 82 -12.391 5.262 7.352 1.00 0.80 H new ATOM 0 HA LEU A 82 -13.573 5.728 9.931 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -13.492 3.377 8.015 1.00 0.82 H new ATOM 0 HB3 LEU A 82 -14.327 3.314 9.554 1.00 0.82 H new ATOM 0 HG LEU A 82 -14.948 5.221 7.276 1.00 0.87 H new ATOM 0 HD11 LEU A 82 -17.032 3.919 7.084 1.00 0.90 H new ATOM 0 HD12 LEU A 82 -15.594 2.909 6.798 1.00 0.90 H new ATOM 0 HD13 LEU A 82 -16.453 2.814 8.354 1.00 0.90 H new ATOM 0 HD21 LEU A 82 -16.915 5.853 8.614 1.00 0.97 H new ATOM 0 HD22 LEU A 82 -16.336 4.825 9.946 1.00 0.97 H new ATOM 0 HD23 LEU A 82 -15.394 6.250 9.448 1.00 0.97 H new ATOM 1295 N GLY A 83 -10.920 3.847 9.649 1.00 0.75 N ATOM 1296 CA GLY A 83 -9.901 3.158 10.413 1.00 0.74 C ATOM 1297 C GLY A 83 -10.140 1.667 10.440 1.00 0.72 C ATOM 1298 O GLY A 83 -9.936 1.014 11.462 1.00 0.78 O ATOM 0 H GLY A 83 -10.713 3.951 8.656 1.00 0.75 H new ATOM 0 HA2 GLY A 83 -8.921 3.362 9.981 1.00 0.74 H new ATOM 0 HA3 GLY A 83 -9.887 3.543 11.432 1.00 0.74 H new ATOM 1302 N VAL A 84 -10.567 1.126 9.307 1.00 0.67 N ATOM 1303 CA VAL A 84 -10.847 -0.300 9.196 1.00 0.65 C ATOM 1304 C VAL A 84 -10.157 -0.895 7.971 1.00 0.59 C ATOM 1305 O VAL A 84 -10.636 -1.869 7.387 1.00 0.60 O ATOM 1306 CB VAL A 84 -12.370 -0.575 9.114 1.00 0.71 C ATOM 1307 CG1 VAL A 84 -13.026 -0.357 10.469 1.00 0.81 C ATOM 1308 CG2 VAL A 84 -13.022 0.307 8.057 1.00 0.73 C ATOM 0 H VAL A 84 -10.728 1.654 8.449 1.00 0.67 H new ATOM 0 HA VAL A 84 -10.456 -0.775 10.096 1.00 0.65 H new ATOM 0 HB VAL A 84 -12.513 -1.616 8.825 1.00 0.71 H new ATOM 0 HG11 VAL A 84 -14.095 -0.555 10.392 1.00 0.81 H new ATOM 0 HG12 VAL A 84 -12.584 -1.033 11.200 1.00 0.81 H new ATOM 0 HG13 VAL A 84 -12.870 0.674 10.787 1.00 0.81 H new ATOM 0 HG21 VAL A 84 -14.091 0.097 8.017 1.00 0.73 H new ATOM 0 HG22 VAL A 84 -12.867 1.355 8.312 1.00 0.73 H new ATOM 0 HG23 VAL A 84 -12.575 0.101 7.085 1.00 0.73 H new ATOM 1318 N GLU A 85 -9.015 -0.317 7.605 1.00 0.58 N ATOM 1319 CA GLU A 85 -8.255 -0.762 6.437 1.00 0.55 C ATOM 1320 C GLU A 85 -7.828 -2.220 6.561 1.00 0.53 C ATOM 1321 O GLU A 85 -8.245 -3.065 5.766 1.00 0.56 O ATOM 1322 CB GLU A 85 -7.018 0.112 6.244 1.00 0.63 C ATOM 1323 CG GLU A 85 -7.315 1.597 6.285 1.00 0.81 C ATOM 1324 CD GLU A 85 -6.785 2.249 7.543 1.00 1.11 C ATOM 1325 OE1 GLU A 85 -7.229 1.866 8.649 1.00 1.71 O ATOM 1326 OE2 GLU A 85 -5.920 3.144 7.433 1.00 1.67 O1- ATOM 0 H GLU A 85 -8.593 0.466 8.104 1.00 0.58 H new ATOM 0 HA GLU A 85 -8.911 -0.670 5.571 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -6.290 -0.126 7.019 1.00 0.63 H new ATOM 0 HB3 GLU A 85 -6.556 -0.132 5.287 1.00 0.63 H new ATOM 0 HG2 GLU A 85 -6.872 2.079 5.413 1.00 0.81 H new ATOM 0 HG3 GLU A 85 -8.392 1.753 6.223 1.00 0.81 H new ATOM 1333 N ASP A 86 -7.002 -2.507 7.565 1.00 0.57 N ATOM 1334 CA ASP A 86 -6.492 -3.862 7.802 1.00 0.62 C ATOM 1335 C ASP A 86 -7.632 -4.865 7.927 1.00 0.64 C ATOM 1336 O ASP A 86 -7.512 -6.017 7.513 1.00 0.87 O ATOM 1337 CB ASP A 86 -5.643 -3.918 9.086 1.00 0.74 C ATOM 1338 CG ASP A 86 -4.596 -2.824 9.175 1.00 1.12 C ATOM 1339 OD1 ASP A 86 -4.977 -1.648 9.355 1.00 1.75 O1- ATOM 1340 OD2 ASP A 86 -3.388 -3.133 9.101 1.00 1.91 O ATOM 0 H ASP A 86 -6.667 -1.814 8.235 1.00 0.57 H new ATOM 0 HA ASP A 86 -5.872 -4.122 6.944 1.00 0.62 H new ATOM 0 HB2 ASP A 86 -6.303 -3.848 9.950 1.00 0.74 H new ATOM 0 HB3 ASP A 86 -5.148 -4.887 9.141 1.00 0.74 H new ATOM 1345 N LYS A 87 -8.745 -4.406 8.480 1.00 0.59 N ATOM 1346 CA LYS A 87 -9.906 -5.260 8.680 1.00 0.63 C ATOM 1347 C LYS A 87 -10.517 -5.699 7.356 1.00 0.60 C ATOM 1348 O LYS A 87 -10.775 -6.880 7.155 1.00 0.67 O ATOM 1349 CB LYS A 87 -10.962 -4.534 9.514 1.00 0.70 C ATOM 1350 CG LYS A 87 -10.416 -3.919 10.795 1.00 0.79 C ATOM 1351 CD LYS A 87 -10.016 -4.981 11.811 1.00 1.48 C ATOM 1352 CE LYS A 87 -11.231 -5.603 12.484 1.00 1.85 C ATOM 1353 NZ LYS A 87 -12.005 -4.601 13.262 1.00 2.28 N1+ ATOM 0 H LYS A 87 -8.869 -3.445 8.799 1.00 0.59 H new ATOM 0 HA LYS A 87 -9.568 -6.150 9.211 1.00 0.63 H new ATOM 0 HB2 LYS A 87 -11.413 -3.748 8.908 1.00 0.70 H new ATOM 0 HB3 LYS A 87 -11.756 -5.236 9.769 1.00 0.70 H new ATOM 0 HG2 LYS A 87 -9.551 -3.298 10.560 1.00 0.79 H new ATOM 0 HG3 LYS A 87 -11.169 -3.264 11.233 1.00 0.79 H new ATOM 0 HD2 LYS A 87 -9.437 -5.760 11.315 1.00 1.48 H new ATOM 0 HD3 LYS A 87 -9.369 -4.536 12.567 1.00 1.48 H new ATOM 0 HE2 LYS A 87 -11.875 -6.052 11.728 1.00 1.85 H new ATOM 0 HE3 LYS A 87 -10.908 -6.407 13.146 1.00 1.85 H new ATOM 0 HZ1 LYS A 87 -12.575 -5.087 13.983 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -11.350 -3.940 13.726 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -12.633 -4.074 12.622 1.00 2.28 H new ATOM 1367 N VAL A 88 -10.725 -4.754 6.449 1.00 0.56 N ATOM 1368 CA VAL A 88 -11.343 -5.061 5.162 1.00 0.55 C ATOM 1369 C VAL A 88 -10.336 -5.534 4.111 1.00 0.50 C ATOM 1370 O VAL A 88 -10.733 -6.022 3.056 1.00 0.50 O ATOM 1371 CB VAL A 88 -12.114 -3.847 4.601 1.00 0.58 C ATOM 1372 CG1 VAL A 88 -13.139 -3.350 5.606 1.00 0.65 C ATOM 1373 CG2 VAL A 88 -11.161 -2.728 4.209 1.00 0.56 C ATOM 0 H VAL A 88 -10.477 -3.773 6.577 1.00 0.56 H new ATOM 0 HA VAL A 88 -12.035 -5.879 5.363 1.00 0.55 H new ATOM 0 HB VAL A 88 -12.642 -4.170 3.704 1.00 0.58 H new ATOM 0 HG11 VAL A 88 -13.671 -2.494 5.190 1.00 0.65 H new ATOM 0 HG12 VAL A 88 -13.849 -4.147 5.826 1.00 0.65 H new ATOM 0 HG13 VAL A 88 -12.633 -3.052 6.524 1.00 0.65 H new ATOM 0 HG21 VAL A 88 -11.731 -1.885 3.817 1.00 0.56 H new ATOM 0 HG22 VAL A 88 -10.596 -2.408 5.084 1.00 0.56 H new ATOM 0 HG23 VAL A 88 -10.473 -3.088 3.444 1.00 0.56 H new ATOM 1383 N THR A 89 -9.046 -5.404 4.402 1.00 0.48 N ATOM 1384 CA THR A 89 -8.001 -5.800 3.459 1.00 0.44 C ATOM 1385 C THR A 89 -8.134 -7.265 3.028 1.00 0.43 C ATOM 1386 O THR A 89 -8.165 -7.566 1.833 1.00 0.44 O ATOM 1387 CB THR A 89 -6.590 -5.570 4.050 1.00 0.45 C ATOM 1388 OG1 THR A 89 -6.390 -4.176 4.321 1.00 0.98 O ATOM 1389 CG2 THR A 89 -5.508 -6.051 3.100 1.00 0.79 C ATOM 0 H THR A 89 -8.697 -5.027 5.283 1.00 0.48 H new ATOM 0 HA THR A 89 -8.131 -5.168 2.580 1.00 0.44 H new ATOM 0 HB THR A 89 -6.522 -6.142 4.975 1.00 0.45 H new ATOM 0 HG1 THR A 89 -7.211 -3.795 4.696 1.00 0.98 H new ATOM 0 HG21 THR A 89 -4.529 -5.875 3.545 1.00 0.79 H new ATOM 0 HG22 THR A 89 -5.635 -7.117 2.913 1.00 0.79 H new ATOM 0 HG23 THR A 89 -5.582 -5.506 2.159 1.00 0.79 H new ATOM 1397 N VAL A 90 -8.235 -8.167 3.998 1.00 0.46 N ATOM 1398 CA VAL A 90 -8.336 -9.596 3.700 1.00 0.49 C ATOM 1399 C VAL A 90 -9.601 -9.943 2.900 1.00 0.50 C ATOM 1400 O VAL A 90 -9.493 -10.472 1.794 1.00 0.52 O ATOM 1401 CB VAL A 90 -8.269 -10.458 4.982 1.00 0.54 C ATOM 1402 CG1 VAL A 90 -8.269 -11.941 4.632 1.00 0.62 C ATOM 1403 CG2 VAL A 90 -7.038 -10.099 5.807 1.00 0.57 C ATOM 0 H VAL A 90 -8.249 -7.939 4.992 1.00 0.46 H new ATOM 0 HA VAL A 90 -7.472 -9.831 3.078 1.00 0.49 H new ATOM 0 HB VAL A 90 -9.155 -10.249 5.582 1.00 0.54 H new ATOM 0 HG11 VAL A 90 -8.221 -12.531 5.547 1.00 0.62 H new ATOM 0 HG12 VAL A 90 -9.182 -12.187 4.089 1.00 0.62 H new ATOM 0 HG13 VAL A 90 -7.404 -12.168 4.009 1.00 0.62 H new ATOM 0 HG21 VAL A 90 -7.009 -10.716 6.705 1.00 0.57 H new ATOM 0 HG22 VAL A 90 -6.140 -10.276 5.216 1.00 0.57 H new ATOM 0 HG23 VAL A 90 -7.084 -9.048 6.091 1.00 0.57 H new ATOM 1413 N PRO A 91 -10.816 -9.654 3.426 1.00 0.53 N ATOM 1414 CA PRO A 91 -12.066 -9.962 2.724 1.00 0.57 C ATOM 1415 C PRO A 91 -12.124 -9.369 1.317 1.00 0.57 C ATOM 1416 O PRO A 91 -12.682 -9.983 0.409 1.00 0.61 O ATOM 1417 CB PRO A 91 -13.160 -9.347 3.609 1.00 0.60 C ATOM 1418 CG PRO A 91 -12.452 -8.460 4.571 1.00 0.58 C ATOM 1419 CD PRO A 91 -11.079 -9.036 4.736 1.00 0.54 C ATOM 0 HA PRO A 91 -12.176 -11.037 2.580 1.00 0.57 H new ATOM 0 HB2 PRO A 91 -13.876 -8.783 3.011 1.00 0.60 H new ATOM 0 HB3 PRO A 91 -13.722 -10.121 4.132 1.00 0.60 H new ATOM 0 HG2 PRO A 91 -12.403 -7.438 4.195 1.00 0.58 H new ATOM 0 HG3 PRO A 91 -12.976 -8.424 5.526 1.00 0.58 H new ATOM 0 HD2 PRO A 91 -10.345 -8.266 4.973 1.00 0.54 H new ATOM 0 HD3 PRO A 91 -11.044 -9.769 5.542 1.00 0.54 H new ATOM 1427 N LEU A 92 -11.548 -8.182 1.136 1.00 0.54 N ATOM 1428 CA LEU A 92 -11.542 -7.535 -0.172 1.00 0.55 C ATOM 1429 C LEU A 92 -10.651 -8.297 -1.148 1.00 0.54 C ATOM 1430 O LEU A 92 -11.059 -8.585 -2.271 1.00 0.59 O ATOM 1431 CB LEU A 92 -11.074 -6.081 -0.063 1.00 0.54 C ATOM 1432 CG LEU A 92 -12.138 -5.084 0.407 1.00 0.61 C ATOM 1433 CD1 LEU A 92 -11.557 -3.683 0.506 1.00 0.60 C ATOM 1434 CD2 LEU A 92 -13.335 -5.091 -0.532 1.00 0.79 C ATOM 0 H LEU A 92 -11.083 -7.653 1.874 1.00 0.54 H new ATOM 0 HA LEU A 92 -12.564 -7.543 -0.550 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -10.231 -6.039 0.626 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -10.705 -5.761 -1.038 1.00 0.54 H new ATOM 0 HG LEU A 92 -12.473 -5.391 1.398 1.00 0.61 H new ATOM 0 HD11 LEU A 92 -12.330 -2.991 0.841 1.00 0.60 H new ATOM 0 HD12 LEU A 92 -10.733 -3.680 1.220 1.00 0.60 H new ATOM 0 HD13 LEU A 92 -11.191 -3.371 -0.472 1.00 0.60 H new ATOM 0 HD21 LEU A 92 -14.078 -4.376 -0.179 1.00 0.79 H new ATOM 0 HD22 LEU A 92 -13.012 -4.814 -1.535 1.00 0.79 H new ATOM 0 HD23 LEU A 92 -13.774 -6.089 -0.555 1.00 0.79 H new ATOM 1446 N PHE A 93 -9.441 -8.630 -0.709 1.00 0.48 N ATOM 1447 CA PHE A 93 -8.492 -9.368 -1.541 1.00 0.48 C ATOM 1448 C PHE A 93 -9.080 -10.705 -1.976 1.00 0.54 C ATOM 1449 O PHE A 93 -9.070 -11.052 -3.160 1.00 0.58 O ATOM 1450 CB PHE A 93 -7.188 -9.608 -0.774 1.00 0.44 C ATOM 1451 CG PHE A 93 -6.070 -8.683 -1.174 1.00 0.41 C ATOM 1452 CD1 PHE A 93 -5.610 -8.654 -2.482 1.00 0.44 C ATOM 1453 CD2 PHE A 93 -5.473 -7.849 -0.240 1.00 0.42 C ATOM 1454 CE1 PHE A 93 -4.577 -7.810 -2.851 1.00 0.44 C ATOM 1455 CE2 PHE A 93 -4.440 -7.005 -0.602 1.00 0.43 C ATOM 1456 CZ PHE A 93 -3.991 -6.983 -1.911 1.00 0.41 C ATOM 0 H PHE A 93 -9.092 -8.400 0.222 1.00 0.48 H new ATOM 0 HA PHE A 93 -8.284 -8.770 -2.428 1.00 0.48 H new ATOM 0 HB2 PHE A 93 -7.378 -9.493 0.293 1.00 0.44 H new ATOM 0 HB3 PHE A 93 -6.869 -10.638 -0.932 1.00 0.44 H new ATOM 0 HD1 PHE A 93 -6.063 -9.298 -3.221 1.00 0.44 H new ATOM 0 HD2 PHE A 93 -5.820 -7.859 0.783 1.00 0.42 H new ATOM 0 HE1 PHE A 93 -4.229 -7.798 -3.873 1.00 0.44 H new ATOM 0 HE2 PHE A 93 -3.983 -6.363 0.136 1.00 0.43 H new ATOM 0 HZ PHE A 93 -3.186 -6.322 -2.197 1.00 0.41 H new ATOM 1466 N GLU A 94 -9.609 -11.439 -1.010 1.00 0.55 N ATOM 1467 CA GLU A 94 -10.207 -12.740 -1.267 1.00 0.62 C ATOM 1468 C GLU A 94 -11.438 -12.607 -2.158 1.00 0.66 C ATOM 1469 O GLU A 94 -11.649 -13.415 -3.059 1.00 0.72 O ATOM 1470 CB GLU A 94 -10.583 -13.414 0.056 1.00 0.66 C ATOM 1471 CG GLU A 94 -9.393 -13.678 0.966 1.00 0.66 C ATOM 1472 CD GLU A 94 -8.672 -14.969 0.638 1.00 0.93 C ATOM 1473 OE1 GLU A 94 -7.917 -15.010 -0.355 1.00 1.70 O ATOM 1474 OE2 GLU A 94 -8.859 -15.960 1.376 1.00 1.46 O1- ATOM 0 H GLU A 94 -9.636 -11.152 -0.031 1.00 0.55 H new ATOM 0 HA GLU A 94 -9.475 -13.358 -1.788 1.00 0.62 H new ATOM 0 HB2 GLU A 94 -11.300 -12.785 0.583 1.00 0.66 H new ATOM 0 HB3 GLU A 94 -11.083 -14.359 -0.157 1.00 0.66 H new ATOM 0 HG2 GLU A 94 -8.692 -12.847 0.888 1.00 0.66 H new ATOM 0 HG3 GLU A 94 -9.734 -13.712 2.001 1.00 0.66 H new ATOM 1481 N GLY A 95 -12.227 -11.568 -1.925 1.00 0.66 N ATOM 1482 CA GLY A 95 -13.438 -11.362 -2.696 1.00 0.71 C ATOM 1483 C GLY A 95 -13.177 -10.996 -4.144 1.00 0.73 C ATOM 1484 O GLY A 95 -14.067 -11.121 -4.985 1.00 0.82 O ATOM 0 H GLY A 95 -12.050 -10.860 -1.212 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -14.040 -12.270 -2.662 1.00 0.71 H new ATOM 0 HA3 GLY A 95 -14.026 -10.572 -2.230 1.00 0.71 H new ATOM 1488 N VAL A 96 -11.964 -10.553 -4.441 1.00 0.66 N ATOM 1489 CA VAL A 96 -11.608 -10.153 -5.798 1.00 0.67 C ATOM 1490 C VAL A 96 -10.799 -11.226 -6.526 1.00 0.69 C ATOM 1491 O VAL A 96 -11.041 -11.510 -7.699 1.00 0.75 O ATOM 1492 CB VAL A 96 -10.801 -8.832 -5.795 1.00 0.63 C ATOM 1493 CG1 VAL A 96 -10.273 -8.507 -7.187 1.00 0.67 C ATOM 1494 CG2 VAL A 96 -11.649 -7.687 -5.266 1.00 0.65 C ATOM 0 H VAL A 96 -11.209 -10.461 -3.762 1.00 0.66 H new ATOM 0 HA VAL A 96 -12.549 -10.010 -6.330 1.00 0.67 H new ATOM 0 HB VAL A 96 -9.946 -8.964 -5.133 1.00 0.63 H new ATOM 0 HG11 VAL A 96 -9.710 -7.574 -7.154 1.00 0.67 H new ATOM 0 HG12 VAL A 96 -9.621 -9.312 -7.526 1.00 0.67 H new ATOM 0 HG13 VAL A 96 -11.109 -8.402 -7.878 1.00 0.67 H new ATOM 0 HG21 VAL A 96 -11.063 -6.768 -5.272 1.00 0.65 H new ATOM 0 HG22 VAL A 96 -12.527 -7.562 -5.899 1.00 0.65 H new ATOM 0 HG23 VAL A 96 -11.965 -7.909 -4.247 1.00 0.65 H new ATOM 1504 N GLN A 97 -9.848 -11.838 -5.834 1.00 0.66 N ATOM 1505 CA GLN A 97 -8.988 -12.838 -6.464 1.00 0.68 C ATOM 1506 C GLN A 97 -9.421 -14.274 -6.191 1.00 0.75 C ATOM 1507 O GLN A 97 -9.372 -15.118 -7.086 1.00 0.84 O ATOM 1508 CB GLN A 97 -7.543 -12.633 -6.013 1.00 0.63 C ATOM 1509 CG GLN A 97 -6.993 -11.268 -6.390 1.00 0.62 C ATOM 1510 CD GLN A 97 -5.529 -11.101 -6.049 1.00 0.59 C ATOM 1511 OE1 GLN A 97 -4.756 -12.058 -6.071 1.00 0.66 O ATOM 1512 NE2 GLN A 97 -5.140 -9.880 -5.734 1.00 0.55 N ATOM 0 H GLN A 97 -9.651 -11.665 -4.848 1.00 0.66 H new ATOM 0 HA GLN A 97 -9.075 -12.691 -7.540 1.00 0.68 H new ATOM 0 HB2 GLN A 97 -7.484 -12.756 -4.932 1.00 0.63 H new ATOM 0 HB3 GLN A 97 -6.916 -13.407 -6.457 1.00 0.63 H new ATOM 0 HG2 GLN A 97 -7.131 -11.111 -7.460 1.00 0.62 H new ATOM 0 HG3 GLN A 97 -7.569 -10.497 -5.878 1.00 0.62 H new ATOM 0 HE21 GLN A 97 -5.815 -9.115 -5.728 1.00 0.55 H new ATOM 0 HE22 GLN A 97 -4.164 -9.701 -5.496 1.00 0.55 H new ATOM 1521 N LYS A 98 -9.848 -14.562 -4.974 1.00 0.74 N ATOM 1522 CA LYS A 98 -10.252 -15.921 -4.629 1.00 0.81 C ATOM 1523 C LYS A 98 -11.662 -16.236 -5.123 1.00 0.88 C ATOM 1524 O LYS A 98 -11.841 -17.016 -6.061 1.00 1.03 O ATOM 1525 CB LYS A 98 -10.172 -16.141 -3.121 1.00 0.76 C ATOM 1526 CG LYS A 98 -9.379 -17.379 -2.728 1.00 0.88 C ATOM 1527 CD LYS A 98 -9.722 -17.834 -1.323 1.00 1.03 C ATOM 1528 CE LYS A 98 -8.570 -18.591 -0.682 1.00 1.34 C ATOM 1529 NZ LYS A 98 -7.422 -17.694 -0.387 1.00 1.41 N1+ ATOM 0 H LYS A 98 -9.925 -13.886 -4.214 1.00 0.74 H new ATOM 0 HA LYS A 98 -9.559 -16.598 -5.128 1.00 0.81 H new ATOM 0 HB2 LYS A 98 -9.716 -15.266 -2.658 1.00 0.76 H new ATOM 0 HB3 LYS A 98 -11.182 -16.224 -2.720 1.00 0.76 H new ATOM 0 HG2 LYS A 98 -9.586 -18.184 -3.433 1.00 0.88 H new ATOM 0 HG3 LYS A 98 -8.312 -17.165 -2.792 1.00 0.88 H new ATOM 0 HD2 LYS A 98 -9.974 -16.968 -0.711 1.00 1.03 H new ATOM 0 HD3 LYS A 98 -10.606 -18.472 -1.352 1.00 1.03 H new ATOM 0 HE2 LYS A 98 -8.911 -19.061 0.240 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -8.245 -19.392 -1.347 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -6.559 -18.080 -0.820 1.00 1.41 H new ATOM 0 HZ2 LYS A 98 -7.611 -16.748 -0.776 1.00 1.41 H new ATOM 0 HZ3 LYS A 98 -7.291 -17.625 0.642 1.00 1.41 H new ATOM 1543 N THR A 99 -12.661 -15.629 -4.498 1.00 0.82 N ATOM 1544 CA THR A 99 -14.043 -15.870 -4.874 1.00 0.94 C ATOM 1545 C THR A 99 -14.423 -15.099 -6.135 1.00 0.98 C ATOM 1546 O THR A 99 -15.322 -15.509 -6.869 1.00 1.08 O ATOM 1547 CB THR A 99 -15.000 -15.501 -3.725 1.00 0.96 C ATOM 1548 OG1 THR A 99 -14.400 -14.501 -2.887 1.00 0.95 O ATOM 1549 CG2 THR A 99 -15.334 -16.725 -2.887 1.00 1.31 C ATOM 0 H THR A 99 -12.539 -14.968 -3.731 1.00 0.82 H new ATOM 0 HA THR A 99 -14.138 -16.936 -5.083 1.00 0.94 H new ATOM 0 HB THR A 99 -15.919 -15.110 -4.161 1.00 0.96 H new ATOM 0 HG1 THR A 99 -15.098 -14.044 -2.372 1.00 0.95 H new ATOM 0 HG21 THR A 99 -16.011 -16.441 -2.081 1.00 1.31 H new ATOM 0 HG22 THR A 99 -15.812 -17.476 -3.515 1.00 1.31 H new ATOM 0 HG23 THR A 99 -14.418 -17.137 -2.463 1.00 1.31 H new ATOM 1557 N GLN A 100 -13.728 -13.983 -6.370 1.00 0.90 N ATOM 1558 CA GLN A 100 -13.965 -13.131 -7.543 1.00 0.94 C ATOM 1559 C GLN A 100 -15.422 -12.674 -7.608 1.00 1.01 C ATOM 1560 O GLN A 100 -15.954 -12.407 -8.688 1.00 1.10 O ATOM 1561 CB GLN A 100 -13.593 -13.866 -8.834 1.00 1.01 C ATOM 1562 CG GLN A 100 -12.202 -14.473 -8.820 1.00 0.99 C ATOM 1563 CD GLN A 100 -11.937 -15.335 -10.038 1.00 1.15 C ATOM 1564 OE1 GLN A 100 -12.478 -15.091 -11.117 1.00 1.41 O ATOM 1565 NE2 GLN A 100 -11.104 -16.351 -9.873 1.00 1.44 N ATOM 0 H GLN A 100 -12.987 -13.644 -5.756 1.00 0.90 H new ATOM 0 HA GLN A 100 -13.330 -12.251 -7.442 1.00 0.94 H new ATOM 0 HB2 GLN A 100 -14.322 -14.657 -9.013 1.00 1.01 H new ATOM 0 HB3 GLN A 100 -13.666 -13.170 -9.670 1.00 1.01 H new ATOM 0 HG2 GLN A 100 -11.461 -13.675 -8.774 1.00 0.99 H new ATOM 0 HG3 GLN A 100 -12.080 -15.074 -7.919 1.00 0.99 H new ATOM 0 HE21 GLN A 100 -10.677 -16.518 -8.962 1.00 1.44 H new ATOM 0 HE22 GLN A 100 -10.889 -16.967 -10.657 1.00 1.44 H new ATOM 1574 N THR A 101 -16.047 -12.573 -6.442 1.00 1.00 N ATOM 1575 CA THR A 101 -17.439 -12.169 -6.345 1.00 1.08 C ATOM 1576 C THR A 101 -17.590 -10.656 -6.425 1.00 1.03 C ATOM 1577 O THR A 101 -18.618 -10.157 -6.882 1.00 1.12 O ATOM 1578 CB THR A 101 -18.058 -12.671 -5.027 1.00 1.14 C ATOM 1579 OG1 THR A 101 -17.013 -13.069 -4.125 1.00 1.20 O ATOM 1580 CG2 THR A 101 -18.991 -13.846 -5.274 1.00 1.57 C ATOM 0 H THR A 101 -15.605 -12.768 -5.544 1.00 1.00 H new ATOM 0 HA THR A 101 -17.963 -12.616 -7.190 1.00 1.08 H new ATOM 0 HB THR A 101 -18.637 -11.858 -4.589 1.00 1.14 H new ATOM 0 HG1 THR A 101 -17.408 -13.387 -3.286 1.00 1.20 H new ATOM 0 HG21 THR A 101 -19.414 -14.180 -4.327 1.00 1.57 H new ATOM 0 HG22 THR A 101 -19.795 -13.538 -5.942 1.00 1.57 H new ATOM 0 HG23 THR A 101 -18.433 -14.664 -5.731 1.00 1.57 H new ATOM 1588 N ILE A 102 -16.567 -9.933 -5.990 1.00 0.91 N ATOM 1589 CA ILE A 102 -16.606 -8.479 -6.021 1.00 0.88 C ATOM 1590 C ILE A 102 -16.393 -7.982 -7.447 1.00 0.87 C ATOM 1591 O ILE A 102 -15.267 -7.956 -7.942 1.00 0.83 O ATOM 1592 CB ILE A 102 -15.543 -7.858 -5.088 1.00 0.83 C ATOM 1593 CG1 ILE A 102 -15.768 -8.332 -3.648 1.00 0.86 C ATOM 1594 CG2 ILE A 102 -15.587 -6.334 -5.163 1.00 0.84 C ATOM 1595 CD1 ILE A 102 -14.732 -7.834 -2.661 1.00 0.79 C ATOM 0 H ILE A 102 -15.705 -10.327 -5.614 1.00 0.91 H new ATOM 0 HA ILE A 102 -17.588 -8.167 -5.665 1.00 0.88 H new ATOM 0 HB ILE A 102 -14.556 -8.186 -5.415 1.00 0.83 H new ATOM 0 HG12 ILE A 102 -16.754 -8.004 -3.319 1.00 0.86 H new ATOM 0 HG13 ILE A 102 -15.774 -9.422 -3.633 1.00 0.86 H new ATOM 0 HG21 ILE A 102 -14.831 -5.915 -4.499 1.00 0.84 H new ATOM 0 HG22 ILE A 102 -15.389 -6.014 -6.186 1.00 0.84 H new ATOM 0 HG23 ILE A 102 -16.573 -5.983 -4.858 1.00 0.84 H new ATOM 0 HD11 ILE A 102 -14.964 -8.215 -1.666 1.00 0.79 H new ATOM 0 HD12 ILE A 102 -13.745 -8.184 -2.962 1.00 0.79 H new ATOM 0 HD13 ILE A 102 -14.740 -6.744 -2.643 1.00 0.79 H new ATOM 1607 N ARG A 103 -17.486 -7.629 -8.115 1.00 0.93 N ATOM 1608 CA ARG A 103 -17.419 -7.140 -9.488 1.00 0.95 C ATOM 1609 C ARG A 103 -18.050 -5.757 -9.606 1.00 0.96 C ATOM 1610 O ARG A 103 -18.056 -5.155 -10.676 1.00 0.99 O ATOM 1611 CB ARG A 103 -18.120 -8.119 -10.440 1.00 1.07 C ATOM 1612 CG ARG A 103 -17.491 -9.507 -10.461 1.00 1.12 C ATOM 1613 CD ARG A 103 -16.135 -9.502 -11.154 1.00 1.44 C ATOM 1614 NE ARG A 103 -15.507 -10.827 -11.152 1.00 1.88 N ATOM 1615 CZ ARG A 103 -14.592 -11.219 -12.045 1.00 2.52 C ATOM 1616 NH1 ARG A 103 -14.182 -10.386 -12.992 1.00 2.97 N1+ ATOM 1617 NH2 ARG A 103 -14.081 -12.448 -11.988 1.00 3.22 N ATOM 0 H ARG A 103 -18.429 -7.672 -7.728 1.00 0.93 H new ATOM 0 HA ARG A 103 -16.368 -7.064 -9.767 1.00 0.95 H new ATOM 0 HB2 ARG A 103 -19.167 -8.208 -10.150 1.00 1.07 H new ATOM 0 HB3 ARG A 103 -18.103 -7.706 -11.449 1.00 1.07 H new ATOM 0 HG2 ARG A 103 -17.376 -9.870 -9.440 1.00 1.12 H new ATOM 0 HG3 ARG A 103 -18.158 -10.201 -10.972 1.00 1.12 H new ATOM 0 HD2 ARG A 103 -16.256 -9.161 -12.182 1.00 1.44 H new ATOM 0 HD3 ARG A 103 -15.477 -8.789 -10.656 1.00 1.44 H new ATOM 0 HE ARG A 103 -15.784 -11.489 -10.427 1.00 1.88 H new ATOM 0 HH11 ARG A 103 -14.565 -9.442 -13.041 1.00 2.97 H new ATOM 0 HH12 ARG A 103 -13.484 -10.689 -13.671 1.00 2.97 H new ATOM 0 HH21 ARG A 103 -14.387 -13.095 -11.261 1.00 3.22 H new ATOM 0 HH22 ARG A 103 -13.383 -12.742 -12.671 1.00 3.22 H new ATOM 1631 N SER A 104 -18.604 -5.270 -8.509 1.00 0.97 N ATOM 1632 CA SER A 104 -19.227 -3.957 -8.492 1.00 1.01 C ATOM 1633 C SER A 104 -19.097 -3.332 -7.101 1.00 0.98 C ATOM 1634 O SER A 104 -18.767 -4.024 -6.134 1.00 0.94 O ATOM 1635 CB SER A 104 -20.698 -4.064 -8.896 1.00 1.13 C ATOM 1636 OG SER A 104 -20.828 -4.617 -10.200 1.00 1.51 O ATOM 0 H SER A 104 -18.635 -5.764 -7.617 1.00 0.97 H new ATOM 0 HA SER A 104 -18.718 -3.315 -9.211 1.00 1.01 H new ATOM 0 HB2 SER A 104 -21.232 -4.686 -8.178 1.00 1.13 H new ATOM 0 HB3 SER A 104 -21.160 -3.077 -8.868 1.00 1.13 H new ATOM 0 HG SER A 104 -21.777 -4.678 -10.437 1.00 1.51 H new ATOM 1642 N ALA A 105 -19.362 -2.028 -7.007 1.00 1.02 N ATOM 1643 CA ALA A 105 -19.273 -1.303 -5.738 1.00 1.02 C ATOM 1644 C ALA A 105 -20.244 -1.870 -4.705 1.00 1.05 C ATOM 1645 O ALA A 105 -20.006 -1.778 -3.500 1.00 1.03 O ATOM 1646 CB ALA A 105 -19.540 0.180 -5.958 1.00 1.08 C ATOM 0 H ALA A 105 -19.642 -1.449 -7.799 1.00 1.02 H new ATOM 0 HA ALA A 105 -18.262 -1.427 -5.350 1.00 1.02 H new ATOM 0 HB1 ALA A 105 -19.471 0.707 -5.007 1.00 1.08 H new ATOM 0 HB2 ALA A 105 -18.802 0.584 -6.651 1.00 1.08 H new ATOM 0 HB3 ALA A 105 -20.539 0.312 -6.374 1.00 1.08 H new ATOM 1652 N SER A 106 -21.330 -2.463 -5.184 1.00 1.12 N ATOM 1653 CA SER A 106 -22.337 -3.052 -4.316 1.00 1.17 C ATOM 1654 C SER A 106 -21.732 -4.163 -3.460 1.00 1.09 C ATOM 1655 O SER A 106 -22.088 -4.327 -2.289 1.00 1.09 O ATOM 1656 CB SER A 106 -23.479 -3.595 -5.172 1.00 1.28 C ATOM 1657 OG SER A 106 -23.084 -3.663 -6.536 1.00 1.43 O ATOM 0 H SER A 106 -21.535 -2.548 -6.179 1.00 1.12 H new ATOM 0 HA SER A 106 -22.722 -2.287 -3.642 1.00 1.17 H new ATOM 0 HB2 SER A 106 -23.767 -4.586 -4.820 1.00 1.28 H new ATOM 0 HB3 SER A 106 -24.355 -2.954 -5.071 1.00 1.28 H new ATOM 0 HG SER A 106 -23.824 -4.014 -7.074 1.00 1.43 H new ATOM 1663 N ASP A 107 -20.806 -4.912 -4.048 1.00 1.05 N ATOM 1664 CA ASP A 107 -20.142 -5.999 -3.340 1.00 0.99 C ATOM 1665 C ASP A 107 -19.210 -5.421 -2.291 1.00 0.91 C ATOM 1666 O ASP A 107 -19.152 -5.901 -1.159 1.00 0.89 O ATOM 1667 CB ASP A 107 -19.344 -6.880 -4.305 1.00 0.97 C ATOM 1668 CG ASP A 107 -20.189 -7.458 -5.416 1.00 1.25 C ATOM 1669 OD1 ASP A 107 -21.043 -8.326 -5.138 1.00 1.56 O1- ATOM 1670 OD2 ASP A 107 -20.011 -7.036 -6.580 1.00 1.89 O ATOM 0 H ASP A 107 -20.499 -4.786 -5.012 1.00 1.05 H new ATOM 0 HA ASP A 107 -20.904 -6.617 -2.864 1.00 0.99 H new ATOM 0 HB2 ASP A 107 -18.535 -6.292 -4.740 1.00 0.97 H new ATOM 0 HB3 ASP A 107 -18.882 -7.694 -3.747 1.00 0.97 H new ATOM 1675 N ILE A 108 -18.497 -4.369 -2.674 1.00 0.90 N ATOM 1676 CA ILE A 108 -17.567 -3.699 -1.772 1.00 0.84 C ATOM 1677 C ILE A 108 -18.320 -3.121 -0.577 1.00 0.86 C ATOM 1678 O ILE A 108 -17.878 -3.233 0.567 1.00 0.83 O ATOM 1679 CB ILE A 108 -16.806 -2.560 -2.486 1.00 0.85 C ATOM 1680 CG1 ILE A 108 -16.256 -3.044 -3.831 1.00 0.86 C ATOM 1681 CG2 ILE A 108 -15.677 -2.039 -1.611 1.00 0.80 C ATOM 1682 CD1 ILE A 108 -15.640 -1.943 -4.674 1.00 0.90 C ATOM 0 H ILE A 108 -18.545 -3.960 -3.607 1.00 0.90 H new ATOM 0 HA ILE A 108 -16.844 -4.442 -1.435 1.00 0.84 H new ATOM 0 HB ILE A 108 -17.505 -1.744 -2.669 1.00 0.85 H new ATOM 0 HG12 ILE A 108 -15.505 -3.813 -3.650 1.00 0.86 H new ATOM 0 HG13 ILE A 108 -17.063 -3.512 -4.395 1.00 0.86 H new ATOM 0 HG21 ILE A 108 -15.153 -1.237 -2.132 1.00 0.80 H new ATOM 0 HG22 ILE A 108 -16.088 -1.657 -0.676 1.00 0.80 H new ATOM 0 HG23 ILE A 108 -14.980 -2.849 -1.397 1.00 0.80 H new ATOM 0 HD11 ILE A 108 -15.273 -2.364 -5.610 1.00 0.90 H new ATOM 0 HD12 ILE A 108 -16.393 -1.184 -4.887 1.00 0.90 H new ATOM 0 HD13 ILE A 108 -14.811 -1.489 -4.131 1.00 0.90 H new ATOM 1694 N ARG A 109 -19.465 -2.508 -0.862 1.00 0.91 N ATOM 1695 CA ARG A 109 -20.314 -1.914 0.163 1.00 0.94 C ATOM 1696 C ARG A 109 -20.716 -2.967 1.189 1.00 0.94 C ATOM 1697 O ARG A 109 -20.661 -2.729 2.398 1.00 0.94 O ATOM 1698 CB ARG A 109 -21.568 -1.319 -0.488 1.00 1.00 C ATOM 1699 CG ARG A 109 -22.473 -0.564 0.476 1.00 1.05 C ATOM 1700 CD ARG A 109 -23.766 -0.133 -0.204 1.00 1.12 C ATOM 1701 NE ARG A 109 -24.589 0.729 0.650 1.00 1.24 N ATOM 1702 CZ ARG A 109 -25.548 0.287 1.466 1.00 1.71 C ATOM 1703 NH1 ARG A 109 -25.799 -1.017 1.575 1.00 2.19 N1+ ATOM 1704 NH2 ARG A 109 -26.266 1.148 2.173 1.00 1.94 N ATOM 0 H ARG A 109 -19.829 -2.410 -1.810 1.00 0.91 H new ATOM 0 HA ARG A 109 -19.759 -1.124 0.669 1.00 0.94 H new ATOM 0 HB2 ARG A 109 -21.263 -0.643 -1.287 1.00 1.00 H new ATOM 0 HB3 ARG A 109 -22.140 -2.123 -0.951 1.00 1.00 H new ATOM 0 HG2 ARG A 109 -22.703 -1.197 1.333 1.00 1.05 H new ATOM 0 HG3 ARG A 109 -21.950 0.313 0.858 1.00 1.05 H new ATOM 0 HD2 ARG A 109 -23.529 0.396 -1.127 1.00 1.12 H new ATOM 0 HD3 ARG A 109 -24.339 -1.018 -0.482 1.00 1.12 H new ATOM 0 HE ARG A 109 -24.417 1.734 0.618 1.00 1.24 H new ATOM 0 HH11 ARG A 109 -25.256 -1.688 1.032 1.00 2.19 H new ATOM 0 HH12 ARG A 109 -26.534 -1.344 2.202 1.00 2.19 H new ATOM 0 HH21 ARG A 109 -26.086 2.149 2.093 1.00 1.94 H new ATOM 0 HH22 ARG A 109 -26.999 0.810 2.797 1.00 1.94 H new ATOM 1718 N ASP A 110 -21.095 -4.141 0.690 1.00 0.95 N ATOM 1719 CA ASP A 110 -21.519 -5.248 1.543 1.00 0.97 C ATOM 1720 C ASP A 110 -20.374 -5.744 2.421 1.00 0.92 C ATOM 1721 O ASP A 110 -20.587 -6.145 3.566 1.00 0.92 O ATOM 1722 CB ASP A 110 -22.056 -6.397 0.694 1.00 1.01 C ATOM 1723 CG ASP A 110 -22.828 -7.410 1.517 1.00 1.34 C ATOM 1724 OD1 ASP A 110 -23.956 -7.090 1.949 1.00 1.95 O ATOM 1725 OD2 ASP A 110 -22.313 -8.527 1.731 1.00 1.85 O1- ATOM 0 H ASP A 110 -21.117 -4.351 -0.308 1.00 0.95 H new ATOM 0 HA ASP A 110 -22.312 -4.880 2.193 1.00 0.97 H new ATOM 0 HB2 ASP A 110 -22.704 -5.997 -0.086 1.00 1.01 H new ATOM 0 HB3 ASP A 110 -21.225 -6.896 0.194 1.00 1.01 H new ATOM 1730 N VAL A 111 -19.160 -5.711 1.881 1.00 0.88 N ATOM 1731 CA VAL A 111 -17.976 -6.141 2.620 1.00 0.84 C ATOM 1732 C VAL A 111 -17.789 -5.279 3.867 1.00 0.84 C ATOM 1733 O VAL A 111 -17.502 -5.786 4.952 1.00 0.84 O ATOM 1734 CB VAL A 111 -16.711 -6.074 1.733 1.00 0.81 C ATOM 1735 CG1 VAL A 111 -15.447 -6.257 2.563 1.00 0.78 C ATOM 1736 CG2 VAL A 111 -16.778 -7.119 0.630 1.00 0.86 C ATOM 0 H VAL A 111 -18.969 -5.390 0.932 1.00 0.88 H new ATOM 0 HA VAL A 111 -18.125 -7.178 2.922 1.00 0.84 H new ATOM 0 HB VAL A 111 -16.674 -5.085 1.276 1.00 0.81 H new ATOM 0 HG11 VAL A 111 -14.574 -6.205 1.913 1.00 0.78 H new ATOM 0 HG12 VAL A 111 -15.387 -5.469 3.314 1.00 0.78 H new ATOM 0 HG13 VAL A 111 -15.474 -7.228 3.058 1.00 0.78 H new ATOM 0 HG21 VAL A 111 -15.880 -7.058 0.016 1.00 0.86 H new ATOM 0 HG22 VAL A 111 -16.847 -8.112 1.074 1.00 0.86 H new ATOM 0 HG23 VAL A 111 -17.655 -6.937 0.009 1.00 0.86 H new ATOM 1746 N PHE A 112 -17.981 -3.975 3.709 1.00 0.84 N ATOM 1747 CA PHE A 112 -17.842 -3.047 4.824 1.00 0.85 C ATOM 1748 C PHE A 112 -18.900 -3.329 5.885 1.00 0.89 C ATOM 1749 O PHE A 112 -18.619 -3.293 7.083 1.00 0.92 O ATOM 1750 CB PHE A 112 -17.941 -1.600 4.339 1.00 0.87 C ATOM 1751 CG PHE A 112 -16.654 -1.064 3.781 1.00 0.83 C ATOM 1752 CD1 PHE A 112 -16.237 -1.409 2.505 1.00 0.82 C ATOM 1753 CD2 PHE A 112 -15.868 -0.206 4.532 1.00 0.83 C ATOM 1754 CE1 PHE A 112 -15.058 -0.903 1.988 1.00 0.80 C ATOM 1755 CE2 PHE A 112 -14.687 0.300 4.022 1.00 0.82 C ATOM 1756 CZ PHE A 112 -14.282 -0.049 2.747 1.00 0.79 C ATOM 0 H PHE A 112 -18.233 -3.537 2.823 1.00 0.84 H new ATOM 0 HA PHE A 112 -16.858 -3.190 5.269 1.00 0.85 H new ATOM 0 HB2 PHE A 112 -18.714 -1.534 3.574 1.00 0.87 H new ATOM 0 HB3 PHE A 112 -18.259 -0.968 5.169 1.00 0.87 H new ATOM 0 HD1 PHE A 112 -16.838 -2.079 1.909 1.00 0.82 H new ATOM 0 HD2 PHE A 112 -16.181 0.071 5.528 1.00 0.83 H new ATOM 0 HE1 PHE A 112 -14.744 -1.176 0.991 1.00 0.80 H new ATOM 0 HE2 PHE A 112 -14.082 0.967 4.618 1.00 0.82 H new ATOM 0 HZ PHE A 112 -13.360 0.345 2.345 1.00 0.79 H new ATOM 1766 N ILE A 113 -20.112 -3.634 5.432 1.00 0.92 N ATOM 1767 CA ILE A 113 -21.214 -3.946 6.336 1.00 0.97 C ATOM 1768 C ILE A 113 -20.904 -5.216 7.123 1.00 0.99 C ATOM 1769 O ILE A 113 -21.210 -5.320 8.309 1.00 1.03 O ATOM 1770 CB ILE A 113 -22.546 -4.127 5.573 1.00 1.00 C ATOM 1771 CG1 ILE A 113 -22.850 -2.891 4.722 1.00 0.98 C ATOM 1772 CG2 ILE A 113 -23.688 -4.388 6.545 1.00 1.08 C ATOM 1773 CD1 ILE A 113 -24.058 -3.059 3.820 1.00 1.33 C ATOM 0 H ILE A 113 -20.356 -3.672 4.442 1.00 0.92 H new ATOM 0 HA ILE A 113 -21.325 -3.104 7.020 1.00 0.97 H new ATOM 0 HB ILE A 113 -22.446 -4.989 4.913 1.00 1.00 H new ATOM 0 HG12 ILE A 113 -23.014 -2.038 5.380 1.00 0.98 H new ATOM 0 HG13 ILE A 113 -21.979 -2.658 4.110 1.00 0.98 H new ATOM 0 HG21 ILE A 113 -24.617 -4.513 5.989 1.00 1.08 H new ATOM 0 HG22 ILE A 113 -23.481 -5.294 7.114 1.00 1.08 H new ATOM 0 HG23 ILE A 113 -23.784 -3.544 7.228 1.00 1.08 H new ATOM 0 HD11 ILE A 113 -24.214 -2.145 3.247 1.00 1.33 H new ATOM 0 HD12 ILE A 113 -23.889 -3.891 3.137 1.00 1.33 H new ATOM 0 HD13 ILE A 113 -24.940 -3.261 4.427 1.00 1.33 H new ATOM 1785 N ASN A 114 -20.249 -6.161 6.461 1.00 0.97 N ATOM 1786 CA ASN A 114 -19.884 -7.431 7.075 1.00 1.00 C ATOM 1787 C ASN A 114 -18.826 -7.233 8.155 1.00 0.99 C ATOM 1788 O ASN A 114 -18.691 -8.051 9.061 1.00 1.02 O ATOM 1789 CB ASN A 114 -19.349 -8.393 6.011 1.00 1.01 C ATOM 1790 CG ASN A 114 -20.425 -9.287 5.424 1.00 1.40 C ATOM 1791 OD1 ASN A 114 -20.670 -10.388 5.915 1.00 1.72 O ATOM 1792 ND2 ASN A 114 -21.072 -8.820 4.369 1.00 1.93 N ATOM 0 H ASN A 114 -19.957 -6.070 5.488 1.00 0.97 H new ATOM 0 HA ASN A 114 -20.778 -7.852 7.535 1.00 1.00 H new ATOM 0 HB2 ASN A 114 -18.885 -7.818 5.210 1.00 1.01 H new ATOM 0 HB3 ASN A 114 -18.568 -9.014 6.450 1.00 1.01 H new ATOM 0 HD21 ASN A 114 -21.805 -9.379 3.932 1.00 1.93 H new ATOM 0 HD22 ASN A 114 -20.838 -7.901 3.993 1.00 1.93 H new ATOM 1799 N ALA A 115 -18.080 -6.137 8.052 1.00 0.97 N ATOM 1800 CA ALA A 115 -17.025 -5.834 9.012 1.00 0.97 C ATOM 1801 C ALA A 115 -17.574 -5.104 10.236 1.00 1.01 C ATOM 1802 O ALA A 115 -16.858 -4.891 11.215 1.00 1.10 O ATOM 1803 CB ALA A 115 -15.930 -5.011 8.352 1.00 0.94 C ATOM 0 H ALA A 115 -18.187 -5.443 7.312 1.00 0.97 H new ATOM 0 HA ALA A 115 -16.602 -6.780 9.351 1.00 0.97 H new ATOM 0 HB1 ALA A 115 -15.150 -4.793 9.081 1.00 0.94 H new ATOM 0 HB2 ALA A 115 -15.503 -5.573 7.521 1.00 0.94 H new ATOM 0 HB3 ALA A 115 -16.351 -4.077 7.980 1.00 0.94 H new ATOM 1809 N GLY A 116 -18.844 -4.727 10.179 1.00 1.01 N ATOM 1810 CA GLY A 116 -19.462 -4.024 11.293 1.00 1.05 C ATOM 1811 C GLY A 116 -19.757 -2.574 10.978 1.00 1.06 C ATOM 1812 O GLY A 116 -20.174 -1.810 11.853 1.00 1.15 O ATOM 0 H GLY A 116 -19.460 -4.894 9.383 1.00 1.01 H new ATOM 0 HA2 GLY A 116 -20.389 -4.528 11.566 1.00 1.05 H new ATOM 0 HA3 GLY A 116 -18.804 -4.076 12.160 1.00 1.05 H new ATOM 1816 N ILE A 117 -19.533 -2.183 9.734 1.00 1.01 N ATOM 1817 CA ILE A 117 -19.790 -0.818 9.315 1.00 1.02 C ATOM 1818 C ILE A 117 -21.198 -0.693 8.753 1.00 1.04 C ATOM 1819 O ILE A 117 -21.576 -1.426 7.844 1.00 1.06 O ATOM 1820 CB ILE A 117 -18.775 -0.352 8.247 1.00 0.97 C ATOM 1821 CG1 ILE A 117 -17.339 -0.479 8.767 1.00 0.94 C ATOM 1822 CG2 ILE A 117 -19.062 1.081 7.820 1.00 1.00 C ATOM 1823 CD1 ILE A 117 -17.096 0.247 10.078 1.00 1.61 C ATOM 0 H ILE A 117 -19.174 -2.792 8.999 1.00 1.01 H new ATOM 0 HA ILE A 117 -19.686 -0.183 10.195 1.00 1.02 H new ATOM 0 HB ILE A 117 -18.881 -0.999 7.376 1.00 0.97 H new ATOM 0 HG12 ILE A 117 -17.102 -1.535 8.898 1.00 0.94 H new ATOM 0 HG13 ILE A 117 -16.654 -0.089 8.014 1.00 0.94 H new ATOM 0 HG21 ILE A 117 -18.336 1.389 7.068 1.00 1.00 H new ATOM 0 HG22 ILE A 117 -20.066 1.142 7.401 1.00 1.00 H new ATOM 0 HG23 ILE A 117 -18.990 1.740 8.685 1.00 1.00 H new ATOM 0 HD11 ILE A 117 -16.058 0.111 10.382 1.00 1.61 H new ATOM 0 HD12 ILE A 117 -17.300 1.310 9.949 1.00 1.61 H new ATOM 0 HD13 ILE A 117 -17.755 -0.158 10.846 1.00 1.61 H new ATOM 1835 N LYS A 118 -21.972 0.225 9.309 1.00 1.08 N ATOM 1836 CA LYS A 118 -23.335 0.449 8.854 1.00 1.12 C ATOM 1837 C LYS A 118 -23.338 0.986 7.425 1.00 1.11 C ATOM 1838 O LYS A 118 -22.564 1.890 7.096 1.00 1.07 O ATOM 1839 CB LYS A 118 -24.063 1.428 9.785 1.00 1.18 C ATOM 1840 CG LYS A 118 -24.565 0.790 11.073 1.00 1.29 C ATOM 1841 CD LYS A 118 -25.729 1.577 11.656 1.00 1.83 C ATOM 1842 CE LYS A 118 -26.298 0.917 12.904 1.00 1.95 C ATOM 1843 NZ LYS A 118 -25.546 1.294 14.132 1.00 2.73 N1+ ATOM 0 H LYS A 118 -21.679 0.828 10.078 1.00 1.08 H new ATOM 0 HA LYS A 118 -23.861 -0.505 8.873 1.00 1.12 H new ATOM 0 HB2 LYS A 118 -23.389 2.247 10.035 1.00 1.18 H new ATOM 0 HB3 LYS A 118 -24.909 1.862 9.252 1.00 1.18 H new ATOM 0 HG2 LYS A 118 -24.877 -0.236 10.877 1.00 1.29 H new ATOM 0 HG3 LYS A 118 -23.754 0.743 11.799 1.00 1.29 H new ATOM 0 HD2 LYS A 118 -25.398 2.587 11.899 1.00 1.83 H new ATOM 0 HD3 LYS A 118 -26.514 1.671 10.906 1.00 1.83 H new ATOM 0 HE2 LYS A 118 -27.344 1.202 13.019 1.00 1.95 H new ATOM 0 HE3 LYS A 118 -26.274 -0.166 12.783 1.00 1.95 H new ATOM 0 HZ1 LYS A 118 -25.968 0.822 14.957 1.00 2.73 H new ATOM 0 HZ2 LYS A 118 -24.553 1.000 14.035 1.00 2.73 H new ATOM 0 HZ3 LYS A 118 -25.590 2.325 14.263 1.00 2.73 H new ATOM 1857 N GLY A 119 -24.203 0.421 6.589 1.00 1.17 N ATOM 1858 CA GLY A 119 -24.302 0.848 5.203 1.00 1.19 C ATOM 1859 C GLY A 119 -24.587 2.332 5.066 1.00 1.19 C ATOM 1860 O GLY A 119 -24.028 2.996 4.192 1.00 1.19 O ATOM 0 H GLY A 119 -24.842 -0.331 6.848 1.00 1.17 H new ATOM 0 HA2 GLY A 119 -23.371 0.612 4.687 1.00 1.19 H new ATOM 0 HA3 GLY A 119 -25.093 0.283 4.709 1.00 1.19 H new ATOM 1864 N GLU A 120 -25.439 2.854 5.945 1.00 1.23 N ATOM 1865 CA GLU A 120 -25.799 4.268 5.921 1.00 1.27 C ATOM 1866 C GLU A 120 -24.576 5.158 6.143 1.00 1.20 C ATOM 1867 O GLU A 120 -24.463 6.225 5.543 1.00 1.22 O ATOM 1868 CB GLU A 120 -26.863 4.575 6.976 1.00 1.35 C ATOM 1869 CG GLU A 120 -28.239 4.043 6.618 1.00 1.80 C ATOM 1870 CD GLU A 120 -29.343 4.661 7.456 1.00 2.36 C ATOM 1871 OE1 GLU A 120 -29.144 4.848 8.675 1.00 2.98 O ATOM 1872 OE2 GLU A 120 -30.424 4.952 6.903 1.00 2.88 O1- ATOM 0 H GLU A 120 -25.893 2.317 6.684 1.00 1.23 H new ATOM 0 HA GLU A 120 -26.206 4.484 4.933 1.00 1.27 H new ATOM 0 HB2 GLU A 120 -26.553 4.147 7.929 1.00 1.35 H new ATOM 0 HB3 GLU A 120 -26.924 5.654 7.116 1.00 1.35 H new ATOM 0 HG2 GLU A 120 -28.436 4.238 5.564 1.00 1.80 H new ATOM 0 HG3 GLU A 120 -28.251 2.961 6.750 1.00 1.80 H new ATOM 1879 N GLU A 121 -23.662 4.710 7.001 1.00 1.16 N ATOM 1880 CA GLU A 121 -22.453 5.470 7.294 1.00 1.12 C ATOM 1881 C GLU A 121 -21.496 5.401 6.112 1.00 1.07 C ATOM 1882 O GLU A 121 -20.886 6.401 5.729 1.00 1.07 O ATOM 1883 CB GLU A 121 -21.776 4.938 8.560 1.00 1.10 C ATOM 1884 CG GLU A 121 -20.479 5.652 8.916 1.00 1.15 C ATOM 1885 CD GLU A 121 -20.225 5.698 10.407 1.00 1.70 C ATOM 1886 OE1 GLU A 121 -20.551 4.713 11.104 1.00 1.97 O ATOM 1887 OE2 GLU A 121 -19.696 6.719 10.894 1.00 2.52 O1- ATOM 0 H GLU A 121 -23.737 3.826 7.504 1.00 1.16 H new ATOM 0 HA GLU A 121 -22.728 6.511 7.465 1.00 1.12 H new ATOM 0 HB2 GLU A 121 -22.470 5.028 9.396 1.00 1.10 H new ATOM 0 HB3 GLU A 121 -21.570 3.876 8.430 1.00 1.10 H new ATOM 0 HG2 GLU A 121 -19.646 5.148 8.426 1.00 1.15 H new ATOM 0 HG3 GLU A 121 -20.511 6.669 8.526 1.00 1.15 H new ATOM 1894 N TYR A 122 -21.378 4.215 5.532 1.00 1.04 N ATOM 1895 CA TYR A 122 -20.510 4.012 4.381 1.00 1.01 C ATOM 1896 C TYR A 122 -20.961 4.892 3.219 1.00 1.05 C ATOM 1897 O TYR A 122 -20.144 5.533 2.556 1.00 1.05 O ATOM 1898 CB TYR A 122 -20.514 2.541 3.961 1.00 1.00 C ATOM 1899 CG TYR A 122 -19.642 2.248 2.759 1.00 0.95 C ATOM 1900 CD1 TYR A 122 -18.260 2.157 2.880 1.00 1.50 C ATOM 1901 CD2 TYR A 122 -20.202 2.060 1.504 1.00 1.30 C ATOM 1902 CE1 TYR A 122 -17.463 1.884 1.784 1.00 1.51 C ATOM 1903 CE2 TYR A 122 -19.414 1.790 0.402 1.00 1.28 C ATOM 1904 CZ TYR A 122 -18.044 1.699 0.549 1.00 0.93 C ATOM 1905 OH TYR A 122 -17.258 1.418 -0.543 1.00 0.95 O ATOM 0 H TYR A 122 -21.873 3.378 5.840 1.00 1.04 H new ATOM 0 HA TYR A 122 -19.494 4.291 4.660 1.00 1.01 H new ATOM 0 HB2 TYR A 122 -20.177 1.932 4.800 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -21.537 2.239 3.738 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -17.801 2.302 3.847 1.00 1.50 H new ATOM 0 HD2 TYR A 122 -21.274 2.126 1.386 1.00 1.30 H new ATOM 0 HE1 TYR A 122 -16.391 1.816 1.895 1.00 1.51 H new ATOM 0 HE2 TYR A 122 -19.867 1.651 -0.569 1.00 1.28 H new ATOM 0 HH TYR A 122 -17.322 2.152 -1.190 1.00 0.95 H new ATOM 1915 N ASP A 123 -22.270 4.925 2.987 1.00 1.11 N ATOM 1916 CA ASP A 123 -22.841 5.730 1.911 1.00 1.18 C ATOM 1917 C ASP A 123 -22.549 7.208 2.126 1.00 1.18 C ATOM 1918 O ASP A 123 -22.260 7.944 1.179 1.00 1.21 O ATOM 1919 CB ASP A 123 -24.351 5.529 1.837 1.00 1.25 C ATOM 1920 CG ASP A 123 -24.749 4.266 1.108 1.00 1.72 C ATOM 1921 OD1 ASP A 123 -24.083 3.899 0.115 1.00 2.25 O ATOM 1922 OD2 ASP A 123 -25.746 3.637 1.518 1.00 2.30 O1- ATOM 0 H ASP A 123 -22.957 4.403 3.531 1.00 1.11 H new ATOM 0 HA ASP A 123 -22.383 5.406 0.977 1.00 1.18 H new ATOM 0 HB2 ASP A 123 -24.757 5.500 2.848 1.00 1.25 H new ATOM 0 HB3 ASP A 123 -24.801 6.387 1.337 1.00 1.25 H new ATOM 1927 N ALA A 124 -22.629 7.636 3.383 1.00 1.18 N ATOM 1928 CA ALA A 124 -22.371 9.022 3.742 1.00 1.20 C ATOM 1929 C ALA A 124 -20.923 9.388 3.457 1.00 1.17 C ATOM 1930 O ALA A 124 -20.642 10.412 2.838 1.00 1.23 O ATOM 1931 CB ALA A 124 -22.696 9.256 5.210 1.00 1.21 C ATOM 0 H ALA A 124 -22.872 7.037 4.172 1.00 1.18 H new ATOM 0 HA ALA A 124 -23.013 9.660 3.135 1.00 1.20 H new ATOM 0 HB1 ALA A 124 -22.498 10.297 5.465 1.00 1.21 H new ATOM 0 HB2 ALA A 124 -23.747 9.032 5.390 1.00 1.21 H new ATOM 0 HB3 ALA A 124 -22.075 8.607 5.828 1.00 1.21 H new ATOM 1937 N ALA A 125 -20.006 8.532 3.887 1.00 1.09 N ATOM 1938 CA ALA A 125 -18.582 8.766 3.681 1.00 1.06 C ATOM 1939 C ALA A 125 -18.219 8.716 2.196 1.00 1.08 C ATOM 1940 O ALA A 125 -17.270 9.362 1.761 1.00 1.11 O ATOM 1941 CB ALA A 125 -17.763 7.756 4.468 1.00 1.02 C ATOM 0 H ALA A 125 -20.223 7.667 4.382 1.00 1.09 H new ATOM 0 HA ALA A 125 -18.348 9.767 4.045 1.00 1.06 H new ATOM 0 HB1 ALA A 125 -16.701 7.942 4.305 1.00 1.02 H new ATOM 0 HB2 ALA A 125 -17.989 7.852 5.530 1.00 1.02 H new ATOM 0 HB3 ALA A 125 -18.010 6.748 4.134 1.00 1.02 H new ATOM 1947 N TRP A 126 -18.986 7.956 1.426 1.00 1.07 N ATOM 1948 CA TRP A 126 -18.760 7.833 -0.010 1.00 1.10 C ATOM 1949 C TRP A 126 -18.934 9.191 -0.693 1.00 1.21 C ATOM 1950 O TRP A 126 -18.296 9.481 -1.703 1.00 1.25 O ATOM 1951 CB TRP A 126 -19.727 6.797 -0.602 1.00 1.12 C ATOM 1952 CG TRP A 126 -19.504 6.516 -2.059 1.00 1.15 C ATOM 1953 CD1 TRP A 126 -20.074 7.166 -3.115 1.00 1.31 C ATOM 1954 CD2 TRP A 126 -18.657 5.506 -2.620 1.00 1.04 C ATOM 1955 NE1 TRP A 126 -19.623 6.634 -4.296 1.00 1.30 N ATOM 1956 CE2 TRP A 126 -18.759 5.610 -4.020 1.00 1.14 C ATOM 1957 CE3 TRP A 126 -17.817 4.526 -2.076 1.00 0.92 C ATOM 1958 CZ2 TRP A 126 -18.058 4.769 -4.881 1.00 1.09 C ATOM 1959 CZ3 TRP A 126 -17.125 3.693 -2.933 1.00 0.89 C ATOM 1960 CH2 TRP A 126 -17.248 3.820 -4.322 1.00 0.96 C ATOM 0 H TRP A 126 -19.775 7.412 1.774 1.00 1.07 H new ATOM 0 HA TRP A 126 -17.738 7.495 -0.183 1.00 1.10 H new ATOM 0 HB2 TRP A 126 -19.631 5.865 -0.044 1.00 1.12 H new ATOM 0 HB3 TRP A 126 -20.749 7.148 -0.463 1.00 1.12 H new ATOM 0 HD1 TRP A 126 -20.778 7.981 -3.033 1.00 1.31 H new ATOM 0 HE1 TRP A 126 -19.889 6.950 -5.229 1.00 1.30 H new ATOM 0 HE3 TRP A 126 -17.712 4.424 -1.006 1.00 0.92 H new ATOM 0 HZ2 TRP A 126 -18.151 4.863 -5.953 1.00 1.09 H new ATOM 0 HZ3 TRP A 126 -16.478 2.931 -2.525 1.00 0.89 H new ATOM 0 HH2 TRP A 126 -16.691 3.154 -4.965 1.00 0.96 H new ATOM 1971 N ASN A 127 -19.777 10.035 -0.106 1.00 1.27 N ATOM 1972 CA ASN A 127 -20.052 11.357 -0.656 1.00 1.39 C ATOM 1973 C ASN A 127 -19.353 12.444 0.152 1.00 1.41 C ATOM 1974 O ASN A 127 -19.714 13.618 0.081 1.00 1.53 O ATOM 1975 CB ASN A 127 -21.557 11.612 -0.680 1.00 1.49 C ATOM 1976 CG ASN A 127 -22.241 10.912 -1.836 1.00 1.52 C ATOM 1977 OD1 ASN A 127 -22.319 11.449 -2.939 1.00 1.63 O ATOM 1978 ND2 ASN A 127 -22.750 9.709 -1.598 1.00 1.49 N ATOM 0 H ASN A 127 -20.283 9.825 0.754 1.00 1.27 H new ATOM 0 HA ASN A 127 -19.665 11.387 -1.675 1.00 1.39 H new ATOM 0 HB2 ASN A 127 -21.996 11.272 0.258 1.00 1.49 H new ATOM 0 HB3 ASN A 127 -21.740 12.684 -0.748 1.00 1.49 H new ATOM 0 HD21 ASN A 127 -23.225 9.199 -2.343 1.00 1.49 H new ATOM 0 HD22 ASN A 127 -22.666 9.294 -0.670 1.00 1.49 H new ATOM 1985 N SER A 128 -18.348 12.047 0.914 1.00 1.34 N ATOM 1986 CA SER A 128 -17.592 12.984 1.734 1.00 1.37 C ATOM 1987 C SER A 128 -16.554 13.728 0.894 1.00 1.36 C ATOM 1988 O SER A 128 -15.932 13.152 -0.003 1.00 1.34 O ATOM 1989 CB SER A 128 -16.907 12.237 2.885 1.00 1.32 C ATOM 1990 OG SER A 128 -15.847 12.994 3.449 1.00 2.04 O ATOM 0 H SER A 128 -18.034 11.079 0.983 1.00 1.34 H new ATOM 0 HA SER A 128 -18.284 13.718 2.147 1.00 1.37 H new ATOM 0 HB2 SER A 128 -17.641 12.008 3.658 1.00 1.32 H new ATOM 0 HB3 SER A 128 -16.520 11.285 2.521 1.00 1.32 H new ATOM 0 HG SER A 128 -15.436 12.487 4.180 1.00 2.04 H new ATOM 1996 N PHE A 129 -16.365 15.009 1.191 1.00 1.41 N ATOM 1997 CA PHE A 129 -15.398 15.826 0.473 1.00 1.43 C ATOM 1998 C PHE A 129 -13.985 15.379 0.827 1.00 1.32 C ATOM 1999 O PHE A 129 -13.073 15.433 0.001 1.00 1.24 O ATOM 2000 CB PHE A 129 -15.598 17.304 0.814 1.00 1.58 C ATOM 2001 CG PHE A 129 -14.812 18.246 -0.057 1.00 2.28 C ATOM 2002 CD1 PHE A 129 -15.206 18.499 -1.362 1.00 2.61 C ATOM 2003 CD2 PHE A 129 -13.680 18.880 0.432 1.00 2.95 C ATOM 2004 CE1 PHE A 129 -14.486 19.367 -2.163 1.00 3.39 C ATOM 2005 CE2 PHE A 129 -12.956 19.748 -0.366 1.00 3.66 C ATOM 2006 CZ PHE A 129 -13.361 19.991 -1.663 1.00 3.82 C ATOM 0 H PHE A 129 -16.871 15.503 1.926 1.00 1.41 H new ATOM 0 HA PHE A 129 -15.547 15.700 -0.599 1.00 1.43 H new ATOM 0 HB2 PHE A 129 -16.657 17.546 0.729 1.00 1.58 H new ATOM 0 HB3 PHE A 129 -15.317 17.467 1.854 1.00 1.58 H new ATOM 0 HD1 PHE A 129 -16.085 18.013 -1.758 1.00 2.61 H new ATOM 0 HD2 PHE A 129 -13.360 18.694 1.447 1.00 2.95 H new ATOM 0 HE1 PHE A 129 -14.804 19.556 -3.178 1.00 3.39 H new ATOM 0 HE2 PHE A 129 -12.075 20.235 0.025 1.00 3.66 H new ATOM 0 HZ PHE A 129 -12.798 20.669 -2.287 1.00 3.82 H new ATOM 2016 N VAL A 130 -13.819 14.915 2.062 1.00 1.34 N ATOM 2017 CA VAL A 130 -12.529 14.436 2.539 1.00 1.27 C ATOM 2018 C VAL A 130 -12.089 13.233 1.716 1.00 1.13 C ATOM 2019 O VAL A 130 -10.938 13.143 1.285 1.00 1.06 O ATOM 2020 CB VAL A 130 -12.587 14.042 4.031 1.00 1.34 C ATOM 2021 CG1 VAL A 130 -11.234 13.551 4.523 1.00 1.30 C ATOM 2022 CG2 VAL A 130 -13.067 15.208 4.877 1.00 1.53 C ATOM 0 H VAL A 130 -14.567 14.861 2.753 1.00 1.34 H new ATOM 0 HA VAL A 130 -11.810 15.248 2.428 1.00 1.27 H new ATOM 0 HB VAL A 130 -13.301 13.224 4.131 1.00 1.34 H new ATOM 0 HG11 VAL A 130 -11.306 13.281 5.577 1.00 1.30 H new ATOM 0 HG12 VAL A 130 -10.931 12.678 3.945 1.00 1.30 H new ATOM 0 HG13 VAL A 130 -10.494 14.342 4.401 1.00 1.30 H new ATOM 0 HG21 VAL A 130 -13.100 14.908 5.924 1.00 1.53 H new ATOM 0 HG22 VAL A 130 -12.382 16.048 4.762 1.00 1.53 H new ATOM 0 HG23 VAL A 130 -14.064 15.506 4.553 1.00 1.53 H new ATOM 2032 N VAL A 131 -13.027 12.324 1.491 1.00 1.11 N ATOM 2033 CA VAL A 131 -12.768 11.123 0.714 1.00 1.01 C ATOM 2034 C VAL A 131 -12.431 11.487 -0.727 1.00 0.96 C ATOM 2035 O VAL A 131 -11.508 10.927 -1.320 1.00 0.90 O ATOM 2036 CB VAL A 131 -13.979 10.167 0.758 1.00 1.04 C ATOM 2037 CG1 VAL A 131 -13.810 9.015 -0.218 1.00 0.98 C ATOM 2038 CG2 VAL A 131 -14.180 9.641 2.169 1.00 1.08 C ATOM 0 H VAL A 131 -13.983 12.398 1.840 1.00 1.11 H new ATOM 0 HA VAL A 131 -11.914 10.610 1.155 1.00 1.01 H new ATOM 0 HB VAL A 131 -14.864 10.729 0.459 1.00 1.04 H new ATOM 0 HG11 VAL A 131 -14.680 8.360 -0.162 1.00 0.98 H new ATOM 0 HG12 VAL A 131 -13.715 9.407 -1.231 1.00 0.98 H new ATOM 0 HG13 VAL A 131 -12.914 8.450 0.038 1.00 0.98 H new ATOM 0 HG21 VAL A 131 -15.037 8.968 2.188 1.00 1.08 H new ATOM 0 HG22 VAL A 131 -13.288 9.102 2.487 1.00 1.08 H new ATOM 0 HG23 VAL A 131 -14.360 10.476 2.846 1.00 1.08 H new ATOM 2048 N LYS A 132 -13.167 12.453 -1.272 1.00 1.02 N ATOM 2049 CA LYS A 132 -12.940 12.917 -2.634 1.00 1.01 C ATOM 2050 C LYS A 132 -11.501 13.400 -2.790 1.00 0.96 C ATOM 2051 O LYS A 132 -10.834 13.098 -3.784 1.00 0.91 O ATOM 2052 CB LYS A 132 -13.915 14.044 -2.987 1.00 1.11 C ATOM 2053 CG LYS A 132 -15.346 13.568 -3.193 1.00 1.32 C ATOM 2054 CD LYS A 132 -16.272 14.718 -3.557 1.00 1.44 C ATOM 2055 CE LYS A 132 -17.631 14.210 -4.021 1.00 1.93 C ATOM 2056 NZ LYS A 132 -18.458 15.288 -4.625 1.00 2.43 N1+ ATOM 0 H LYS A 132 -13.928 12.930 -0.787 1.00 1.02 H new ATOM 0 HA LYS A 132 -13.111 12.085 -3.317 1.00 1.01 H new ATOM 0 HB2 LYS A 132 -13.900 14.789 -2.192 1.00 1.11 H new ATOM 0 HB3 LYS A 132 -13.571 14.540 -3.895 1.00 1.11 H new ATOM 0 HG2 LYS A 132 -15.370 12.817 -3.983 1.00 1.32 H new ATOM 0 HG3 LYS A 132 -15.704 13.086 -2.283 1.00 1.32 H new ATOM 0 HD2 LYS A 132 -16.401 15.371 -2.694 1.00 1.44 H new ATOM 0 HD3 LYS A 132 -15.817 15.318 -4.345 1.00 1.44 H new ATOM 0 HE2 LYS A 132 -17.489 13.412 -4.750 1.00 1.93 H new ATOM 0 HE3 LYS A 132 -18.164 13.777 -3.174 1.00 1.93 H new ATOM 0 HZ1 LYS A 132 -19.373 14.896 -4.926 1.00 2.43 H new ATOM 0 HZ2 LYS A 132 -18.617 16.038 -3.923 1.00 2.43 H new ATOM 0 HZ3 LYS A 132 -17.963 15.684 -5.449 1.00 2.43 H new ATOM 2070 N SER A 133 -11.027 14.131 -1.785 1.00 0.99 N ATOM 2071 CA SER A 133 -9.669 14.652 -1.779 1.00 0.96 C ATOM 2072 C SER A 133 -8.664 13.505 -1.690 1.00 0.88 C ATOM 2073 O SER A 133 -7.682 13.471 -2.432 1.00 0.86 O ATOM 2074 CB SER A 133 -9.482 15.620 -0.607 1.00 1.04 C ATOM 2075 OG SER A 133 -8.261 16.334 -0.719 1.00 1.47 O ATOM 0 H SER A 133 -11.572 14.376 -0.958 1.00 0.99 H new ATOM 0 HA SER A 133 -9.495 15.193 -2.709 1.00 0.96 H new ATOM 0 HB2 SER A 133 -10.315 16.322 -0.576 1.00 1.04 H new ATOM 0 HB3 SER A 133 -9.497 15.066 0.331 1.00 1.04 H new ATOM 0 HG SER A 133 -8.169 16.945 0.041 1.00 1.47 H new ATOM 2081 N LEU A 134 -8.928 12.549 -0.803 1.00 0.85 N ATOM 2082 CA LEU A 134 -8.044 11.403 -0.630 1.00 0.79 C ATOM 2083 C LEU A 134 -7.900 10.620 -1.933 1.00 0.72 C ATOM 2084 O LEU A 134 -6.819 10.126 -2.254 1.00 0.69 O ATOM 2085 CB LEU A 134 -8.564 10.487 0.478 1.00 0.80 C ATOM 2086 CG LEU A 134 -8.392 11.021 1.903 1.00 0.88 C ATOM 2087 CD1 LEU A 134 -8.936 10.029 2.920 1.00 0.91 C ATOM 2088 CD2 LEU A 134 -6.926 11.323 2.187 1.00 0.93 C ATOM 0 H LEU A 134 -9.746 12.546 -0.194 1.00 0.85 H new ATOM 0 HA LEU A 134 -7.061 11.779 -0.345 1.00 0.79 H new ATOM 0 HB2 LEU A 134 -9.623 10.298 0.304 1.00 0.80 H new ATOM 0 HB3 LEU A 134 -8.053 9.527 0.403 1.00 0.80 H new ATOM 0 HG LEU A 134 -8.960 11.947 1.990 1.00 0.88 H new ATOM 0 HD11 LEU A 134 -8.803 10.429 3.925 1.00 0.91 H new ATOM 0 HD12 LEU A 134 -9.997 9.861 2.733 1.00 0.91 H new ATOM 0 HD13 LEU A 134 -8.398 9.085 2.831 1.00 0.91 H new ATOM 0 HD21 LEU A 134 -6.823 11.701 3.204 1.00 0.93 H new ATOM 0 HD22 LEU A 134 -6.339 10.411 2.078 1.00 0.93 H new ATOM 0 HD23 LEU A 134 -6.566 12.073 1.483 1.00 0.93 H new ATOM 2100 N VAL A 135 -8.992 10.511 -2.682 1.00 0.73 N ATOM 2101 CA VAL A 135 -8.972 9.810 -3.961 1.00 0.69 C ATOM 2102 C VAL A 135 -8.013 10.508 -4.922 1.00 0.68 C ATOM 2103 O VAL A 135 -7.169 9.867 -5.549 1.00 0.63 O ATOM 2104 CB VAL A 135 -10.380 9.739 -4.596 1.00 0.75 C ATOM 2105 CG1 VAL A 135 -10.323 9.131 -5.993 1.00 0.73 C ATOM 2106 CG2 VAL A 135 -11.323 8.940 -3.713 1.00 0.80 C ATOM 0 H VAL A 135 -9.900 10.898 -2.426 1.00 0.73 H new ATOM 0 HA VAL A 135 -8.634 8.791 -3.774 1.00 0.69 H new ATOM 0 HB VAL A 135 -10.759 10.757 -4.684 1.00 0.75 H new ATOM 0 HG11 VAL A 135 -11.327 9.094 -6.415 1.00 0.73 H new ATOM 0 HG12 VAL A 135 -9.684 9.743 -6.630 1.00 0.73 H new ATOM 0 HG13 VAL A 135 -9.917 8.121 -5.934 1.00 0.73 H new ATOM 0 HG21 VAL A 135 -12.309 8.901 -4.176 1.00 0.80 H new ATOM 0 HG22 VAL A 135 -10.938 7.927 -3.592 1.00 0.80 H new ATOM 0 HG23 VAL A 135 -11.399 9.418 -2.736 1.00 0.80 H new ATOM 2116 N ALA A 136 -8.130 11.830 -4.999 1.00 0.74 N ATOM 2117 CA ALA A 136 -7.277 12.626 -5.871 1.00 0.75 C ATOM 2118 C ALA A 136 -5.817 12.506 -5.456 1.00 0.70 C ATOM 2119 O ALA A 136 -4.930 12.419 -6.299 1.00 0.68 O ATOM 2120 CB ALA A 136 -7.722 14.082 -5.855 1.00 0.85 C ATOM 0 H ALA A 136 -8.810 12.373 -4.466 1.00 0.74 H new ATOM 0 HA ALA A 136 -7.370 12.244 -6.888 1.00 0.75 H new ATOM 0 HB1 ALA A 136 -7.077 14.667 -6.511 1.00 0.85 H new ATOM 0 HB2 ALA A 136 -8.752 14.151 -6.204 1.00 0.85 H new ATOM 0 HB3 ALA A 136 -7.656 14.472 -4.839 1.00 0.85 H new ATOM 2126 N GLN A 137 -5.578 12.482 -4.149 1.00 0.72 N ATOM 2127 CA GLN A 137 -4.226 12.366 -3.615 1.00 0.71 C ATOM 2128 C GLN A 137 -3.562 11.067 -4.069 1.00 0.63 C ATOM 2129 O GLN A 137 -2.384 11.057 -4.418 1.00 0.63 O ATOM 2130 CB GLN A 137 -4.243 12.416 -2.088 1.00 0.78 C ATOM 2131 CG GLN A 137 -4.692 13.750 -1.516 1.00 0.84 C ATOM 2132 CD GLN A 137 -4.781 13.724 -0.004 1.00 0.83 C ATOM 2133 OE1 GLN A 137 -4.028 13.008 0.663 1.00 1.08 O ATOM 2134 NE2 GLN A 137 -5.702 14.498 0.546 1.00 1.39 N ATOM 0 H GLN A 137 -6.306 12.542 -3.438 1.00 0.72 H new ATOM 0 HA GLN A 137 -3.651 13.209 -3.999 1.00 0.71 H new ATOM 0 HB2 GLN A 137 -4.904 11.633 -1.717 1.00 0.78 H new ATOM 0 HB3 GLN A 137 -3.243 12.192 -1.717 1.00 0.78 H new ATOM 0 HG2 GLN A 137 -3.994 14.529 -1.824 1.00 0.84 H new ATOM 0 HG3 GLN A 137 -5.665 14.012 -1.931 1.00 0.84 H new ATOM 0 HE21 GLN A 137 -6.303 15.074 -0.044 1.00 1.39 H new ATOM 0 HE22 GLN A 137 -5.811 14.519 1.560 1.00 1.39 H new ATOM 2143 N GLN A 138 -4.332 9.979 -4.067 1.00 0.58 N ATOM 2144 CA GLN A 138 -3.822 8.671 -4.473 1.00 0.52 C ATOM 2145 C GLN A 138 -3.411 8.684 -5.942 1.00 0.55 C ATOM 2146 O GLN A 138 -2.314 8.246 -6.297 1.00 0.58 O ATOM 2147 CB GLN A 138 -4.874 7.584 -4.225 1.00 0.50 C ATOM 2148 CG GLN A 138 -5.274 7.452 -2.761 1.00 0.50 C ATOM 2149 CD GLN A 138 -6.351 6.409 -2.532 1.00 0.50 C ATOM 2150 OE1 GLN A 138 -6.060 5.233 -2.341 1.00 0.49 O ATOM 2151 NE2 GLN A 138 -7.602 6.837 -2.533 1.00 0.61 N ATOM 0 H GLN A 138 -5.313 9.979 -3.788 1.00 0.58 H new ATOM 0 HA GLN A 138 -2.941 8.447 -3.871 1.00 0.52 H new ATOM 0 HB2 GLN A 138 -5.761 7.806 -4.818 1.00 0.50 H new ATOM 0 HB3 GLN A 138 -4.487 6.627 -4.576 1.00 0.50 H new ATOM 0 HG2 GLN A 138 -4.394 7.193 -2.172 1.00 0.50 H new ATOM 0 HG3 GLN A 138 -5.628 8.417 -2.398 1.00 0.50 H new ATOM 0 HE21 GLN A 138 -7.803 7.824 -2.696 1.00 0.61 H new ATOM 0 HE22 GLN A 138 -8.366 6.181 -2.371 1.00 0.61 H new ATOM 2160 N GLU A 139 -4.292 9.208 -6.790 1.00 0.60 N ATOM 2161 CA GLU A 139 -4.021 9.291 -8.221 1.00 0.67 C ATOM 2162 C GLU A 139 -2.852 10.234 -8.488 1.00 0.64 C ATOM 2163 O GLU A 139 -1.983 9.955 -9.319 1.00 0.66 O ATOM 2164 CB GLU A 139 -5.264 9.774 -8.975 1.00 0.78 C ATOM 2165 CG GLU A 139 -6.540 9.067 -8.558 1.00 1.18 C ATOM 2166 CD GLU A 139 -7.583 9.062 -9.650 1.00 2.12 C ATOM 2167 OE1 GLU A 139 -7.366 8.382 -10.672 1.00 2.82 O ATOM 2168 OE2 GLU A 139 -8.634 9.718 -9.490 1.00 2.63 O1- ATOM 0 H GLU A 139 -5.199 9.581 -6.510 1.00 0.60 H new ATOM 0 HA GLU A 139 -3.759 8.295 -8.578 1.00 0.67 H new ATOM 0 HB2 GLU A 139 -5.383 10.845 -8.814 1.00 0.78 H new ATOM 0 HB3 GLU A 139 -5.110 9.627 -10.044 1.00 0.78 H new ATOM 0 HG2 GLU A 139 -6.307 8.040 -8.278 1.00 1.18 H new ATOM 0 HG3 GLU A 139 -6.948 9.554 -7.672 1.00 1.18 H new ATOM 2175 N LYS A 140 -2.842 11.344 -7.761 1.00 0.64 N ATOM 2176 CA LYS A 140 -1.804 12.358 -7.884 1.00 0.65 C ATOM 2177 C LYS A 140 -0.432 11.793 -7.521 1.00 0.63 C ATOM 2178 O LYS A 140 0.523 11.928 -8.280 1.00 0.64 O ATOM 2179 CB LYS A 140 -2.141 13.540 -6.967 1.00 0.71 C ATOM 2180 CG LYS A 140 -1.020 14.553 -6.807 1.00 0.85 C ATOM 2181 CD LYS A 140 -1.154 15.319 -5.504 1.00 1.16 C ATOM 2182 CE LYS A 140 -0.236 16.531 -5.466 1.00 1.57 C ATOM 2183 NZ LYS A 140 1.199 16.150 -5.390 1.00 1.95 N1+ ATOM 0 H LYS A 140 -3.556 11.567 -7.067 1.00 0.64 H new ATOM 0 HA LYS A 140 -1.765 12.691 -8.921 1.00 0.65 H new ATOM 0 HB2 LYS A 140 -3.021 14.050 -7.361 1.00 0.71 H new ATOM 0 HB3 LYS A 140 -2.409 13.155 -5.983 1.00 0.71 H new ATOM 0 HG2 LYS A 140 -0.058 14.042 -6.834 1.00 0.85 H new ATOM 0 HG3 LYS A 140 -1.034 15.250 -7.645 1.00 0.85 H new ATOM 0 HD2 LYS A 140 -2.187 15.641 -5.376 1.00 1.16 H new ATOM 0 HD3 LYS A 140 -0.920 14.659 -4.668 1.00 1.16 H new ATOM 0 HE2 LYS A 140 -0.402 17.138 -6.356 1.00 1.57 H new ATOM 0 HE3 LYS A 140 -0.491 17.150 -4.606 1.00 1.57 H new ATOM 0 HZ1 LYS A 140 1.730 16.893 -4.892 1.00 1.95 H new ATOM 0 HZ2 LYS A 140 1.293 15.252 -4.873 1.00 1.95 H new ATOM 0 HZ3 LYS A 140 1.580 16.037 -6.351 1.00 1.95 H new ATOM 2197 N ALA A 141 -0.352 11.147 -6.365 1.00 0.62 N ATOM 2198 CA ALA A 141 0.903 10.580 -5.880 1.00 0.62 C ATOM 2199 C ALA A 141 1.476 9.549 -6.849 1.00 0.58 C ATOM 2200 O ALA A 141 2.670 9.578 -7.155 1.00 0.60 O ATOM 2201 CB ALA A 141 0.696 9.957 -4.506 1.00 0.65 C ATOM 0 H ALA A 141 -1.146 11.001 -5.741 1.00 0.62 H new ATOM 0 HA ALA A 141 1.626 11.392 -5.805 1.00 0.62 H new ATOM 0 HB1 ALA A 141 1.637 9.536 -4.152 1.00 0.65 H new ATOM 0 HB2 ALA A 141 0.354 10.721 -3.808 1.00 0.65 H new ATOM 0 HB3 ALA A 141 -0.052 9.167 -4.574 1.00 0.65 H new ATOM 2207 N ALA A 142 0.619 8.664 -7.348 1.00 0.56 N ATOM 2208 CA ALA A 142 1.043 7.615 -8.270 1.00 0.54 C ATOM 2209 C ALA A 142 1.586 8.195 -9.573 1.00 0.57 C ATOM 2210 O ALA A 142 2.542 7.665 -10.144 1.00 0.61 O ATOM 2211 CB ALA A 142 -0.112 6.667 -8.554 1.00 0.53 C ATOM 0 H ALA A 142 -0.377 8.652 -7.129 1.00 0.56 H new ATOM 0 HA ALA A 142 1.852 7.061 -7.794 1.00 0.54 H new ATOM 0 HB1 ALA A 142 0.217 5.889 -9.243 1.00 0.53 H new ATOM 0 HB2 ALA A 142 -0.445 6.210 -7.622 1.00 0.53 H new ATOM 0 HB3 ALA A 142 -0.937 7.222 -9.001 1.00 0.53 H new ATOM 2217 N ALA A 143 0.984 9.286 -10.033 1.00 0.58 N ATOM 2218 CA ALA A 143 1.403 9.924 -11.275 1.00 0.63 C ATOM 2219 C ALA A 143 2.612 10.830 -11.050 1.00 0.66 C ATOM 2220 O ALA A 143 3.498 10.914 -11.901 1.00 0.72 O ATOM 2221 CB ALA A 143 0.248 10.711 -11.885 1.00 0.69 C ATOM 0 H ALA A 143 0.204 9.747 -9.564 1.00 0.58 H new ATOM 0 HA ALA A 143 1.698 9.141 -11.974 1.00 0.63 H new ATOM 0 HB1 ALA A 143 0.577 11.181 -12.812 1.00 0.69 H new ATOM 0 HB2 ALA A 143 -0.581 10.036 -12.096 1.00 0.69 H new ATOM 0 HB3 ALA A 143 -0.079 11.479 -11.184 1.00 0.69 H new ATOM 2227 N ASP A 144 2.647 11.492 -9.903 1.00 0.67 N ATOM 2228 CA ASP A 144 3.743 12.397 -9.561 1.00 0.71 C ATOM 2229 C ASP A 144 5.055 11.642 -9.442 1.00 0.72 C ATOM 2230 O ASP A 144 6.063 12.028 -10.039 1.00 0.79 O ATOM 2231 CB ASP A 144 3.456 13.130 -8.247 1.00 0.73 C ATOM 2232 CG ASP A 144 2.674 14.412 -8.447 1.00 0.85 C ATOM 2233 OD1 ASP A 144 2.331 14.742 -9.604 1.00 1.38 O1- ATOM 2234 OD2 ASP A 144 2.394 15.102 -7.444 1.00 1.39 O ATOM 0 H ASP A 144 1.925 11.421 -9.186 1.00 0.67 H new ATOM 0 HA ASP A 144 3.827 13.128 -10.366 1.00 0.71 H new ATOM 0 HB2 ASP A 144 2.898 12.470 -7.583 1.00 0.73 H new ATOM 0 HB3 ASP A 144 4.399 13.359 -7.751 1.00 0.73 H new ATOM 2239 N VAL A 145 5.035 10.553 -8.681 1.00 0.68 N ATOM 2240 CA VAL A 145 6.231 9.745 -8.477 1.00 0.70 C ATOM 2241 C VAL A 145 6.478 8.825 -9.673 1.00 0.70 C ATOM 2242 O VAL A 145 7.540 8.208 -9.786 1.00 0.75 O ATOM 2243 CB VAL A 145 6.132 8.901 -7.179 1.00 0.68 C ATOM 2244 CG1 VAL A 145 5.227 7.690 -7.369 1.00 1.34 C ATOM 2245 CG2 VAL A 145 7.514 8.471 -6.705 1.00 1.34 C ATOM 0 H VAL A 145 4.205 10.210 -8.196 1.00 0.68 H new ATOM 0 HA VAL A 145 7.071 10.432 -8.378 1.00 0.70 H new ATOM 0 HB VAL A 145 5.686 9.532 -6.410 1.00 0.68 H new ATOM 0 HG11 VAL A 145 5.180 7.121 -6.440 1.00 1.34 H new ATOM 0 HG12 VAL A 145 4.225 8.023 -7.641 1.00 1.34 H new ATOM 0 HG13 VAL A 145 5.627 7.058 -8.162 1.00 1.34 H new ATOM 0 HG21 VAL A 145 7.419 7.881 -5.794 1.00 1.34 H new ATOM 0 HG22 VAL A 145 7.993 7.870 -7.478 1.00 1.34 H new ATOM 0 HG23 VAL A 145 8.121 9.354 -6.504 1.00 1.34 H new ATOM 2255 N GLN A 146 5.492 8.763 -10.571 1.00 0.68 N ATOM 2256 CA GLN A 146 5.571 7.921 -11.761 1.00 0.71 C ATOM 2257 C GLN A 146 5.756 6.463 -11.362 1.00 0.63 C ATOM 2258 O GLN A 146 6.813 5.866 -11.587 1.00 0.69 O ATOM 2259 CB GLN A 146 6.708 8.378 -12.680 1.00 0.86 C ATOM 2260 CG GLN A 146 6.498 9.767 -13.262 1.00 1.03 C ATOM 2261 CD GLN A 146 7.544 10.140 -14.297 1.00 1.30 C ATOM 2262 OE1 GLN A 146 8.683 9.671 -14.253 1.00 1.61 O ATOM 2263 NE2 GLN A 146 7.164 10.992 -15.236 1.00 1.95 N ATOM 0 H GLN A 146 4.623 9.292 -10.493 1.00 0.68 H new ATOM 0 HA GLN A 146 4.636 8.016 -12.312 1.00 0.71 H new ATOM 0 HB2 GLN A 146 7.644 8.365 -12.121 1.00 0.86 H new ATOM 0 HB3 GLN A 146 6.814 7.663 -13.496 1.00 0.86 H new ATOM 0 HG2 GLN A 146 5.509 9.818 -13.718 1.00 1.03 H new ATOM 0 HG3 GLN A 146 6.516 10.500 -12.455 1.00 1.03 H new ATOM 0 HE21 GLN A 146 6.212 11.358 -15.238 1.00 1.95 H new ATOM 0 HE22 GLN A 146 7.823 11.283 -15.958 1.00 1.95 H new ATOM 2272 N LEU A 147 4.725 5.905 -10.745 1.00 0.55 N ATOM 2273 CA LEU A 147 4.757 4.528 -10.294 1.00 0.49 C ATOM 2274 C LEU A 147 4.881 3.580 -11.480 1.00 0.50 C ATOM 2275 O LEU A 147 4.145 3.692 -12.464 1.00 0.62 O ATOM 2276 CB LEU A 147 3.505 4.202 -9.473 1.00 0.51 C ATOM 2277 CG LEU A 147 3.562 2.892 -8.685 1.00 0.46 C ATOM 2278 CD1 LEU A 147 4.856 2.793 -7.890 1.00 0.71 C ATOM 2279 CD2 LEU A 147 2.361 2.788 -7.759 1.00 0.55 C ATOM 0 H LEU A 147 3.851 6.392 -10.546 1.00 0.55 H new ATOM 0 HA LEU A 147 5.630 4.395 -9.656 1.00 0.49 H new ATOM 0 HB2 LEU A 147 3.326 5.019 -8.774 1.00 0.51 H new ATOM 0 HB3 LEU A 147 2.649 4.165 -10.146 1.00 0.51 H new ATOM 0 HG LEU A 147 3.536 2.063 -9.392 1.00 0.46 H new ATOM 0 HD11 LEU A 147 4.873 1.853 -7.338 1.00 0.71 H new ATOM 0 HD12 LEU A 147 5.706 2.829 -8.572 1.00 0.71 H new ATOM 0 HD13 LEU A 147 4.917 3.626 -7.190 1.00 0.71 H new ATOM 0 HD21 LEU A 147 2.411 1.852 -7.202 1.00 0.55 H new ATOM 0 HD22 LEU A 147 2.366 3.626 -7.062 1.00 0.55 H new ATOM 0 HD23 LEU A 147 1.444 2.812 -8.348 1.00 0.55 H new ATOM 2291 N ARG A 148 5.836 2.669 -11.392 1.00 0.53 N ATOM 2292 CA ARG A 148 6.067 1.701 -12.453 1.00 0.64 C ATOM 2293 C ARG A 148 5.366 0.389 -12.131 1.00 0.61 C ATOM 2294 O ARG A 148 4.679 -0.184 -12.975 1.00 1.08 O ATOM 2295 CB ARG A 148 7.569 1.461 -12.656 1.00 0.84 C ATOM 2296 CG ARG A 148 8.362 2.714 -13.013 1.00 1.02 C ATOM 2297 CD ARG A 148 8.815 3.469 -11.770 1.00 1.75 C ATOM 2298 NE ARG A 148 10.141 4.066 -11.936 1.00 2.46 N ATOM 2299 CZ ARG A 148 10.440 5.339 -11.659 1.00 3.34 C ATOM 2300 NH1 ARG A 148 9.495 6.178 -11.245 1.00 3.78 N1+ ATOM 2301 NH2 ARG A 148 11.683 5.780 -11.811 1.00 4.16 N ATOM 0 H ARG A 148 6.466 2.579 -10.595 1.00 0.53 H new ATOM 0 HA ARG A 148 5.656 2.105 -13.378 1.00 0.64 H new ATOM 0 HB2 ARG A 148 7.983 1.031 -11.744 1.00 0.84 H new ATOM 0 HB3 ARG A 148 7.704 0.723 -13.446 1.00 0.84 H new ATOM 0 HG2 ARG A 148 9.233 2.436 -13.607 1.00 1.02 H new ATOM 0 HG3 ARG A 148 7.749 3.368 -13.633 1.00 1.02 H new ATOM 0 HD2 ARG A 148 8.093 4.252 -11.540 1.00 1.75 H new ATOM 0 HD3 ARG A 148 8.829 2.788 -10.919 1.00 1.75 H new ATOM 0 HE ARG A 148 10.889 3.469 -12.288 1.00 2.46 H new ATOM 0 HH11 ARG A 148 8.535 5.851 -11.137 1.00 3.78 H new ATOM 0 HH12 ARG A 148 9.730 7.148 -11.035 1.00 3.78 H new ATOM 0 HH21 ARG A 148 12.412 5.147 -12.140 1.00 4.16 H new ATOM 0 HH22 ARG A 148 11.909 6.752 -11.599 1.00 4.16 H new ATOM 2315 N GLY A 149 5.547 -0.078 -10.904 1.00 0.49 N ATOM 2316 CA GLY A 149 4.920 -1.307 -10.475 1.00 0.45 C ATOM 2317 C GLY A 149 3.653 -1.035 -9.696 1.00 0.42 C ATOM 2318 O GLY A 149 3.070 0.042 -9.821 1.00 0.68 O ATOM 0 H GLY A 149 6.122 0.378 -10.195 1.00 0.49 H new ATOM 0 HA2 GLY A 149 4.690 -1.923 -11.344 1.00 0.45 H new ATOM 0 HA3 GLY A 149 5.615 -1.875 -9.857 1.00 0.45 H new ATOM 2322 N VAL A 150 3.225 -1.990 -8.881 1.00 0.31 N ATOM 2323 CA VAL A 150 2.010 -1.811 -8.092 1.00 0.32 C ATOM 2324 C VAL A 150 2.313 -1.744 -6.591 1.00 0.33 C ATOM 2325 O VAL A 150 1.984 -0.749 -5.952 1.00 0.38 O ATOM 2326 CB VAL A 150 0.945 -2.905 -8.365 1.00 0.38 C ATOM 2327 CG1 VAL A 150 -0.439 -2.425 -7.940 1.00 0.45 C ATOM 2328 CG2 VAL A 150 0.948 -3.310 -9.835 1.00 0.49 C ATOM 0 H VAL A 150 3.693 -2.886 -8.748 1.00 0.31 H new ATOM 0 HA VAL A 150 1.592 -0.856 -8.412 1.00 0.32 H new ATOM 0 HB VAL A 150 1.200 -3.783 -7.772 1.00 0.38 H new ATOM 0 HG11 VAL A 150 -1.172 -3.206 -8.140 1.00 0.45 H new ATOM 0 HG12 VAL A 150 -0.433 -2.196 -6.874 1.00 0.45 H new ATOM 0 HG13 VAL A 150 -0.702 -1.529 -8.502 1.00 0.45 H new ATOM 0 HG21 VAL A 150 0.193 -4.078 -10.002 1.00 0.49 H new ATOM 0 HG22 VAL A 150 0.724 -2.440 -10.452 1.00 0.49 H new ATOM 0 HG23 VAL A 150 1.929 -3.701 -10.103 1.00 0.49 H new ATOM 2338 N PRO A 151 2.961 -2.775 -5.997 1.00 0.35 N ATOM 2339 CA PRO A 151 3.274 -2.790 -4.575 1.00 0.41 C ATOM 2340 C PRO A 151 4.663 -2.229 -4.293 1.00 0.40 C ATOM 2341 O PRO A 151 5.634 -2.979 -4.152 1.00 0.56 O ATOM 2342 CB PRO A 151 3.215 -4.285 -4.229 1.00 0.50 C ATOM 2343 CG PRO A 151 3.292 -5.026 -5.533 1.00 0.53 C ATOM 2344 CD PRO A 151 3.463 -3.995 -6.625 1.00 0.37 C ATOM 0 HA PRO A 151 2.593 -2.174 -3.989 1.00 0.41 H new ATOM 0 HB2 PRO A 151 4.040 -4.565 -3.574 1.00 0.50 H new ATOM 0 HB3 PRO A 151 2.293 -4.525 -3.700 1.00 0.50 H new ATOM 0 HG2 PRO A 151 4.129 -5.725 -5.529 1.00 0.53 H new ATOM 0 HG3 PRO A 151 2.388 -5.612 -5.696 1.00 0.53 H new ATOM 0 HD2 PRO A 151 4.505 -3.895 -6.928 1.00 0.37 H new ATOM 0 HD3 PRO A 151 2.895 -4.254 -7.519 1.00 0.37 H new ATOM 2352 N ALA A 152 4.761 -0.912 -4.227 1.00 0.38 N ATOM 2353 CA ALA A 152 6.029 -0.258 -3.971 1.00 0.38 C ATOM 2354 C ALA A 152 5.912 0.713 -2.810 1.00 0.40 C ATOM 2355 O ALA A 152 4.870 1.343 -2.618 1.00 0.63 O ATOM 2356 CB ALA A 152 6.511 0.466 -5.218 1.00 0.40 C ATOM 0 H ALA A 152 3.974 -0.275 -4.348 1.00 0.38 H new ATOM 0 HA ALA A 152 6.759 -1.022 -3.704 1.00 0.38 H new ATOM 0 HB1 ALA A 152 7.464 0.952 -5.011 1.00 0.40 H new ATOM 0 HB2 ALA A 152 6.638 -0.251 -6.029 1.00 0.40 H new ATOM 0 HB3 ALA A 152 5.776 1.217 -5.510 1.00 0.40 H new ATOM 2362 N MET A 153 6.986 0.837 -2.045 1.00 0.32 N ATOM 2363 CA MET A 153 7.010 1.731 -0.902 1.00 0.31 C ATOM 2364 C MET A 153 8.085 2.799 -1.087 1.00 0.31 C ATOM 2365 O MET A 153 9.211 2.502 -1.489 1.00 0.34 O ATOM 2366 CB MET A 153 7.259 0.941 0.389 1.00 0.34 C ATOM 2367 CG MET A 153 7.070 1.765 1.653 1.00 0.35 C ATOM 2368 SD MET A 153 7.150 0.775 3.160 1.00 0.38 S ATOM 2369 CE MET A 153 5.801 -0.369 2.894 1.00 0.42 C ATOM 0 H MET A 153 7.855 0.326 -2.198 1.00 0.32 H new ATOM 0 HA MET A 153 6.040 2.223 -0.825 1.00 0.31 H new ATOM 0 HB2 MET A 153 6.583 0.086 0.418 1.00 0.34 H new ATOM 0 HB3 MET A 153 8.274 0.544 0.372 1.00 0.34 H new ATOM 0 HG2 MET A 153 7.836 2.540 1.693 1.00 0.35 H new ATOM 0 HG3 MET A 153 6.106 2.272 1.609 1.00 0.35 H new ATOM 0 HE1 MET A 153 5.481 -0.783 3.850 1.00 0.42 H new ATOM 0 HE2 MET A 153 4.966 0.155 2.428 1.00 0.42 H new ATOM 0 HE3 MET A 153 6.132 -1.177 2.241 1.00 0.42 H new ATOM 2379 N PHE A 154 7.715 4.043 -0.828 1.00 0.33 N ATOM 2380 CA PHE A 154 8.633 5.165 -0.951 1.00 0.36 C ATOM 2381 C PHE A 154 8.828 5.823 0.406 1.00 0.38 C ATOM 2382 O PHE A 154 7.856 6.080 1.121 1.00 0.43 O ATOM 2383 CB PHE A 154 8.094 6.193 -1.949 1.00 0.39 C ATOM 2384 CG PHE A 154 7.858 5.631 -3.323 1.00 0.39 C ATOM 2385 CD1 PHE A 154 8.899 5.517 -4.227 1.00 0.45 C ATOM 2386 CD2 PHE A 154 6.592 5.213 -3.708 1.00 0.48 C ATOM 2387 CE1 PHE A 154 8.685 4.996 -5.489 1.00 0.48 C ATOM 2388 CE2 PHE A 154 6.373 4.693 -4.969 1.00 0.52 C ATOM 2389 CZ PHE A 154 7.422 4.583 -5.859 1.00 0.48 C ATOM 0 H PHE A 154 6.775 4.303 -0.528 1.00 0.33 H new ATOM 0 HA PHE A 154 9.590 4.792 -1.315 1.00 0.36 H new ATOM 0 HB2 PHE A 154 7.159 6.602 -1.567 1.00 0.39 H new ATOM 0 HB3 PHE A 154 8.798 7.022 -2.021 1.00 0.39 H new ATOM 0 HD1 PHE A 154 9.890 5.839 -3.943 1.00 0.45 H new ATOM 0 HD2 PHE A 154 5.769 5.295 -3.014 1.00 0.48 H new ATOM 0 HE1 PHE A 154 9.506 4.912 -6.185 1.00 0.48 H new ATOM 0 HE2 PHE A 154 5.383 4.373 -5.258 1.00 0.52 H new ATOM 0 HZ PHE A 154 7.254 4.174 -6.844 1.00 0.48 H new ATOM 2399 N VAL A 155 10.077 6.086 0.755 1.00 0.40 N ATOM 2400 CA VAL A 155 10.389 6.711 2.032 1.00 0.43 C ATOM 2401 C VAL A 155 10.533 8.218 1.866 1.00 0.46 C ATOM 2402 O VAL A 155 11.452 8.698 1.191 1.00 0.48 O ATOM 2403 CB VAL A 155 11.677 6.135 2.661 1.00 0.47 C ATOM 2404 CG1 VAL A 155 11.934 6.759 4.026 1.00 0.55 C ATOM 2405 CG2 VAL A 155 11.586 4.620 2.777 1.00 0.47 C ATOM 0 H VAL A 155 10.890 5.878 0.175 1.00 0.40 H new ATOM 0 HA VAL A 155 9.560 6.493 2.705 1.00 0.43 H new ATOM 0 HB VAL A 155 12.514 6.381 2.008 1.00 0.47 H new ATOM 0 HG11 VAL A 155 12.846 6.340 4.452 1.00 0.55 H new ATOM 0 HG12 VAL A 155 12.047 7.838 3.918 1.00 0.55 H new ATOM 0 HG13 VAL A 155 11.094 6.547 4.687 1.00 0.55 H new ATOM 0 HG21 VAL A 155 12.503 4.233 3.222 1.00 0.47 H new ATOM 0 HG22 VAL A 155 10.737 4.354 3.406 1.00 0.47 H new ATOM 0 HG23 VAL A 155 11.453 4.187 1.786 1.00 0.47 H new ATOM 2415 N ASN A 156 9.587 8.949 2.457 1.00 0.49 N ATOM 2416 CA ASN A 156 9.561 10.416 2.415 1.00 0.55 C ATOM 2417 C ASN A 156 9.459 10.934 0.981 1.00 0.54 C ATOM 2418 O ASN A 156 9.730 12.105 0.712 1.00 0.58 O ATOM 2419 CB ASN A 156 10.801 10.998 3.107 1.00 0.61 C ATOM 2420 CG ASN A 156 10.454 11.728 4.390 1.00 0.86 C ATOM 2421 OD1 ASN A 156 9.452 12.440 4.465 1.00 1.16 O ATOM 2422 ND2 ASN A 156 11.277 11.557 5.415 1.00 1.01 N ATOM 0 H ASN A 156 8.813 8.541 2.981 1.00 0.49 H new ATOM 0 HA ASN A 156 8.672 10.745 2.953 1.00 0.55 H new ATOM 0 HB2 ASN A 156 11.503 10.193 3.328 1.00 0.61 H new ATOM 0 HB3 ASN A 156 11.306 11.684 2.427 1.00 0.61 H new ATOM 0 HD21 ASN A 156 11.090 12.023 6.303 1.00 1.01 H new ATOM 0 HD22 ASN A 156 12.098 10.959 5.316 1.00 1.01 H new ATOM 2429 N GLY A 157 9.058 10.050 0.070 1.00 0.51 N ATOM 2430 CA GLY A 157 8.932 10.416 -1.328 1.00 0.52 C ATOM 2431 C GLY A 157 10.263 10.789 -1.953 1.00 0.53 C ATOM 2432 O GLY A 157 10.303 11.464 -2.983 1.00 0.56 O ATOM 0 H GLY A 157 8.817 9.081 0.279 1.00 0.51 H new ATOM 0 HA2 GLY A 157 8.495 9.584 -1.880 1.00 0.52 H new ATOM 0 HA3 GLY A 157 8.243 11.256 -1.420 1.00 0.52 H new ATOM 2436 N LYS A 158 11.354 10.349 -1.330 1.00 0.52 N ATOM 2437 CA LYS A 158 12.698 10.648 -1.824 1.00 0.55 C ATOM 2438 C LYS A 158 13.480 9.376 -2.131 1.00 0.53 C ATOM 2439 O LYS A 158 14.226 9.314 -3.105 1.00 0.58 O ATOM 2440 CB LYS A 158 13.470 11.485 -0.797 1.00 0.61 C ATOM 2441 CG LYS A 158 12.917 12.886 -0.593 1.00 0.75 C ATOM 2442 CD LYS A 158 13.710 13.652 0.453 1.00 0.96 C ATOM 2443 CE LYS A 158 15.140 13.918 0.003 1.00 1.30 C ATOM 2444 NZ LYS A 158 15.201 14.824 -1.176 1.00 1.75 N1+ ATOM 0 H LYS A 158 11.335 9.784 -0.481 1.00 0.52 H new ATOM 0 HA LYS A 158 12.586 11.214 -2.749 1.00 0.55 H new ATOM 0 HB2 LYS A 158 13.465 10.962 0.159 1.00 0.61 H new ATOM 0 HB3 LYS A 158 14.510 11.560 -1.114 1.00 0.61 H new ATOM 0 HG2 LYS A 158 12.941 13.429 -1.538 1.00 0.75 H new ATOM 0 HG3 LYS A 158 11.873 12.825 -0.286 1.00 0.75 H new ATOM 0 HD2 LYS A 158 13.214 14.600 0.662 1.00 0.96 H new ATOM 0 HD3 LYS A 158 13.722 13.086 1.385 1.00 0.96 H new ATOM 0 HE2 LYS A 158 15.702 14.359 0.827 1.00 1.30 H new ATOM 0 HE3 LYS A 158 15.623 12.972 -0.243 1.00 1.30 H new ATOM 0 HZ1 LYS A 158 16.172 15.179 -1.291 1.00 1.75 H new ATOM 0 HZ2 LYS A 158 14.919 14.302 -2.030 1.00 1.75 H new ATOM 0 HZ3 LYS A 158 14.554 15.626 -1.032 1.00 1.75 H new ATOM 2458 N TYR A 159 13.311 8.360 -1.299 1.00 0.50 N ATOM 2459 CA TYR A 159 14.025 7.106 -1.499 1.00 0.49 C ATOM 2460 C TYR A 159 13.066 5.992 -1.890 1.00 0.44 C ATOM 2461 O TYR A 159 12.055 5.759 -1.221 1.00 0.45 O ATOM 2462 CB TYR A 159 14.816 6.732 -0.245 1.00 0.53 C ATOM 2463 CG TYR A 159 15.820 7.792 0.160 1.00 0.63 C ATOM 2464 CD1 TYR A 159 16.969 8.012 -0.592 1.00 0.75 C ATOM 2465 CD2 TYR A 159 15.612 8.582 1.285 1.00 0.73 C ATOM 2466 CE1 TYR A 159 17.878 8.989 -0.235 1.00 0.92 C ATOM 2467 CE2 TYR A 159 16.520 9.559 1.648 1.00 0.89 C ATOM 2468 CZ TYR A 159 17.650 9.759 0.885 1.00 0.96 C ATOM 2469 OH TYR A 159 18.551 10.738 1.239 1.00 1.16 O ATOM 0 H TYR A 159 12.693 8.376 -0.487 1.00 0.50 H new ATOM 0 HA TYR A 159 14.731 7.242 -2.318 1.00 0.49 H new ATOM 0 HB2 TYR A 159 14.122 6.563 0.579 1.00 0.53 H new ATOM 0 HB3 TYR A 159 15.339 5.792 -0.419 1.00 0.53 H new ATOM 0 HD1 TYR A 159 17.154 7.409 -1.469 1.00 0.75 H new ATOM 0 HD2 TYR A 159 14.727 8.430 1.885 1.00 0.73 H new ATOM 0 HE1 TYR A 159 18.764 9.149 -0.831 1.00 0.92 H new ATOM 0 HE2 TYR A 159 16.345 10.163 2.526 1.00 0.89 H new ATOM 0 HH TYR A 159 18.241 11.189 2.052 1.00 1.16 H new ATOM 2479 N GLN A 160 13.392 5.310 -2.976 1.00 0.43 N ATOM 2480 CA GLN A 160 12.572 4.225 -3.483 1.00 0.40 C ATOM 2481 C GLN A 160 13.218 2.882 -3.175 1.00 0.40 C ATOM 2482 O GLN A 160 14.432 2.731 -3.294 1.00 0.46 O ATOM 2483 CB GLN A 160 12.380 4.383 -4.995 1.00 0.44 C ATOM 2484 CG GLN A 160 11.827 3.147 -5.684 1.00 0.48 C ATOM 2485 CD GLN A 160 12.058 3.167 -7.182 1.00 0.72 C ATOM 2486 OE1 GLN A 160 13.033 3.738 -7.667 1.00 0.98 O ATOM 2487 NE2 GLN A 160 11.164 2.534 -7.924 1.00 0.91 N ATOM 0 H GLN A 160 14.230 5.493 -3.528 1.00 0.43 H new ATOM 0 HA GLN A 160 11.599 4.261 -2.993 1.00 0.40 H new ATOM 0 HB2 GLN A 160 11.707 5.220 -5.179 1.00 0.44 H new ATOM 0 HB3 GLN A 160 13.338 4.639 -5.447 1.00 0.44 H new ATOM 0 HG2 GLN A 160 12.294 2.258 -5.259 1.00 0.48 H new ATOM 0 HG3 GLN A 160 10.758 3.071 -5.485 1.00 0.48 H new ATOM 0 HE21 GLN A 160 10.369 2.073 -7.482 1.00 0.91 H new ATOM 0 HE22 GLN A 160 11.270 2.507 -8.938 1.00 0.91 H new ATOM 2496 N LEU A 161 12.408 1.915 -2.767 1.00 0.39 N ATOM 2497 CA LEU A 161 12.906 0.582 -2.457 1.00 0.40 C ATOM 2498 C LEU A 161 12.916 -0.285 -3.712 1.00 0.37 C ATOM 2499 O LEU A 161 11.949 -0.295 -4.475 1.00 0.37 O ATOM 2500 CB LEU A 161 12.049 -0.079 -1.373 1.00 0.45 C ATOM 2501 CG LEU A 161 12.423 0.289 0.066 1.00 0.51 C ATOM 2502 CD1 LEU A 161 11.794 1.615 0.465 1.00 1.13 C ATOM 2503 CD2 LEU A 161 12.000 -0.811 1.024 1.00 1.20 C ATOM 0 H LEU A 161 11.402 2.029 -2.643 1.00 0.39 H new ATOM 0 HA LEU A 161 13.925 0.678 -2.083 1.00 0.40 H new ATOM 0 HB2 LEU A 161 11.006 0.191 -1.541 1.00 0.45 H new ATOM 0 HB3 LEU A 161 12.120 -1.161 -1.485 1.00 0.45 H new ATOM 0 HG LEU A 161 13.506 0.396 0.120 1.00 0.51 H new ATOM 0 HD11 LEU A 161 12.073 1.856 1.491 1.00 1.13 H new ATOM 0 HD12 LEU A 161 12.148 2.401 -0.202 1.00 1.13 H new ATOM 0 HD13 LEU A 161 10.709 1.539 0.393 1.00 1.13 H new ATOM 0 HD21 LEU A 161 12.274 -0.532 2.042 1.00 1.20 H new ATOM 0 HD22 LEU A 161 10.921 -0.951 0.964 1.00 1.20 H new ATOM 0 HD23 LEU A 161 12.502 -1.741 0.755 1.00 1.20 H new ATOM 2515 N ASN A 162 14.005 -1.010 -3.922 1.00 0.40 N ATOM 2516 CA ASN A 162 14.136 -1.875 -5.084 1.00 0.41 C ATOM 2517 C ASN A 162 14.227 -3.337 -4.657 1.00 0.41 C ATOM 2518 O ASN A 162 15.285 -3.806 -4.238 1.00 0.45 O ATOM 2519 CB ASN A 162 15.372 -1.493 -5.901 1.00 0.50 C ATOM 2520 CG ASN A 162 15.588 -2.413 -7.088 1.00 0.56 C ATOM 2521 OD1 ASN A 162 14.634 -2.894 -7.701 1.00 0.62 O ATOM 2522 ND2 ASN A 162 16.844 -2.679 -7.407 1.00 0.72 N ATOM 0 H ASN A 162 14.813 -1.016 -3.300 1.00 0.40 H new ATOM 0 HA ASN A 162 13.250 -1.745 -5.705 1.00 0.41 H new ATOM 0 HB2 ASN A 162 15.268 -0.467 -6.254 1.00 0.50 H new ATOM 0 HB3 ASN A 162 16.252 -1.521 -5.258 1.00 0.50 H new ATOM 0 HD21 ASN A 162 17.051 -3.303 -8.187 1.00 0.72 H new ATOM 0 HD22 ASN A 162 17.605 -2.260 -6.873 1.00 0.72 H new ATOM 2529 N PRO A 163 13.118 -4.084 -4.760 1.00 0.41 N ATOM 2530 CA PRO A 163 13.085 -5.497 -4.372 1.00 0.43 C ATOM 2531 C PRO A 163 13.876 -6.387 -5.330 1.00 0.45 C ATOM 2532 O PRO A 163 14.230 -7.514 -4.993 1.00 0.52 O ATOM 2533 CB PRO A 163 11.599 -5.848 -4.422 1.00 0.46 C ATOM 2534 CG PRO A 163 10.988 -4.862 -5.356 1.00 0.54 C ATOM 2535 CD PRO A 163 11.812 -3.609 -5.252 1.00 0.43 C ATOM 0 HA PRO A 163 13.542 -5.658 -3.396 1.00 0.43 H new ATOM 0 HB2 PRO A 163 11.448 -6.868 -4.775 1.00 0.46 H new ATOM 0 HB3 PRO A 163 11.147 -5.783 -3.432 1.00 0.46 H new ATOM 0 HG2 PRO A 163 10.988 -5.243 -6.377 1.00 0.54 H new ATOM 0 HG3 PRO A 163 9.949 -4.667 -5.089 1.00 0.54 H new ATOM 0 HD2 PRO A 163 11.906 -3.111 -6.217 1.00 0.43 H new ATOM 0 HD3 PRO A 163 11.363 -2.891 -4.565 1.00 0.43 H new ATOM 2543 N GLN A 164 14.173 -5.866 -6.518 1.00 0.48 N ATOM 2544 CA GLN A 164 14.921 -6.622 -7.514 1.00 0.53 C ATOM 2545 C GLN A 164 16.413 -6.571 -7.222 1.00 0.54 C ATOM 2546 O GLN A 164 17.210 -7.235 -7.883 1.00 0.68 O ATOM 2547 CB GLN A 164 14.633 -6.086 -8.911 1.00 0.62 C ATOM 2548 CG GLN A 164 13.507 -6.819 -9.623 1.00 0.86 C ATOM 2549 CD GLN A 164 13.932 -8.181 -10.133 1.00 1.41 C ATOM 2550 OE1 GLN A 164 13.737 -9.207 -9.320 1.00 2.22 O flip ATOM 2551 NE2 GLN A 164 14.425 -8.311 -11.252 1.00 1.82 N flip ATOM 0 H GLN A 164 13.907 -4.926 -6.812 1.00 0.48 H new ATOM 0 HA GLN A 164 14.600 -7.663 -7.466 1.00 0.53 H new ATOM 0 HB2 GLN A 164 14.379 -5.028 -8.840 1.00 0.62 H new ATOM 0 HB3 GLN A 164 15.539 -6.157 -9.513 1.00 0.62 H new ATOM 0 HG2 GLN A 164 12.666 -6.937 -8.940 1.00 0.86 H new ATOM 0 HG3 GLN A 164 13.156 -6.215 -10.460 1.00 0.86 H new ATOM 0 HE21 GLN A 164 14.559 -7.494 -11.848 1.00 1.82 H new ATOM 0 HE22 GLN A 164 14.700 -9.235 -11.584 1.00 1.82 H new ATOM 2560 N GLY A 165 16.783 -5.770 -6.236 1.00 0.51 N ATOM 2561 CA GLY A 165 18.175 -5.653 -5.848 1.00 0.54 C ATOM 2562 C GLY A 165 18.397 -6.166 -4.445 1.00 0.50 C ATOM 2563 O GLY A 165 19.437 -5.917 -3.830 1.00 0.59 O ATOM 0 H GLY A 165 16.140 -5.194 -5.693 1.00 0.51 H new ATOM 0 HA2 GLY A 165 18.798 -6.213 -6.545 1.00 0.54 H new ATOM 0 HA3 GLY A 165 18.486 -4.610 -5.910 1.00 0.54 H new ATOM 2567 N MET A 166 17.410 -6.892 -3.939 1.00 0.45 N ATOM 2568 CA MET A 166 17.472 -7.451 -2.600 1.00 0.45 C ATOM 2569 C MET A 166 17.730 -8.953 -2.668 1.00 0.48 C ATOM 2570 O MET A 166 17.951 -9.499 -3.753 1.00 0.57 O ATOM 2571 CB MET A 166 16.173 -7.153 -1.849 1.00 0.43 C ATOM 2572 CG MET A 166 16.011 -5.688 -1.474 1.00 0.43 C ATOM 2573 SD MET A 166 14.411 -5.336 -0.724 1.00 0.48 S ATOM 2574 CE MET A 166 14.555 -3.579 -0.412 1.00 0.49 C ATOM 0 H MET A 166 16.550 -7.108 -4.443 1.00 0.45 H new ATOM 0 HA MET A 166 18.297 -6.989 -2.057 1.00 0.45 H new ATOM 0 HB2 MET A 166 15.328 -7.457 -2.466 1.00 0.43 H new ATOM 0 HB3 MET A 166 16.140 -7.758 -0.943 1.00 0.43 H new ATOM 0 HG2 MET A 166 16.803 -5.405 -0.781 1.00 0.43 H new ATOM 0 HG3 MET A 166 16.133 -5.073 -2.366 1.00 0.43 H new ATOM 0 HE1 MET A 166 14.629 -3.405 0.661 1.00 0.49 H new ATOM 0 HE2 MET A 166 15.448 -3.194 -0.905 1.00 0.49 H new ATOM 0 HE3 MET A 166 13.676 -3.067 -0.803 1.00 0.49 H new ATOM 2584 N ASP A 167 17.700 -9.618 -1.519 1.00 0.55 N ATOM 2585 CA ASP A 167 17.943 -11.057 -1.464 1.00 0.62 C ATOM 2586 C ASP A 167 16.779 -11.830 -2.062 1.00 0.62 C ATOM 2587 O ASP A 167 15.680 -11.846 -1.518 1.00 0.79 O ATOM 2588 CB ASP A 167 18.178 -11.527 -0.025 1.00 0.80 C ATOM 2589 CG ASP A 167 18.615 -12.982 0.035 1.00 0.94 C ATOM 2590 OD1 ASP A 167 17.752 -13.879 -0.067 1.00 1.38 O ATOM 2591 OD2 ASP A 167 19.832 -13.237 0.165 1.00 1.54 O1- ATOM 0 H ASP A 167 17.510 -9.186 -0.614 1.00 0.55 H new ATOM 0 HA ASP A 167 18.841 -11.253 -2.050 1.00 0.62 H new ATOM 0 HB2 ASP A 167 18.938 -10.901 0.441 1.00 0.80 H new ATOM 0 HB3 ASP A 167 17.262 -11.399 0.552 1.00 0.80 H new ATOM 2596 N THR A 168 17.025 -12.460 -3.196 1.00 0.67 N ATOM 2597 CA THR A 168 16.004 -13.250 -3.858 1.00 0.79 C ATOM 2598 C THR A 168 16.290 -14.735 -3.659 1.00 0.86 C ATOM 2599 O THR A 168 15.772 -15.589 -4.379 1.00 1.04 O ATOM 2600 CB THR A 168 15.951 -12.929 -5.358 1.00 0.92 C ATOM 2601 OG1 THR A 168 16.466 -11.609 -5.584 1.00 1.03 O ATOM 2602 CG2 THR A 168 14.527 -13.018 -5.885 1.00 1.16 C ATOM 0 H THR A 168 17.924 -12.440 -3.678 1.00 0.67 H new ATOM 0 HA THR A 168 15.038 -13.002 -3.418 1.00 0.79 H new ATOM 0 HB THR A 168 16.560 -13.661 -5.889 1.00 0.92 H new ATOM 0 HG1 THR A 168 16.434 -11.405 -6.542 1.00 1.03 H new ATOM 0 HG21 THR A 168 14.518 -12.786 -6.950 1.00 1.16 H new ATOM 0 HG22 THR A 168 14.144 -14.027 -5.730 1.00 1.16 H new ATOM 0 HG23 THR A 168 13.897 -12.305 -5.353 1.00 1.16 H new ATOM 2610 N SER A 169 17.114 -15.029 -2.664 1.00 0.82 N ATOM 2611 CA SER A 169 17.496 -16.394 -2.358 1.00 0.89 C ATOM 2612 C SER A 169 16.571 -16.988 -1.303 1.00 0.80 C ATOM 2613 O SER A 169 16.047 -18.092 -1.473 1.00 0.93 O ATOM 2614 CB SER A 169 18.943 -16.418 -1.862 1.00 1.01 C ATOM 2615 OG SER A 169 19.572 -15.160 -2.079 1.00 1.53 O ATOM 0 H SER A 169 17.533 -14.330 -2.051 1.00 0.82 H new ATOM 0 HA SER A 169 17.411 -16.996 -3.263 1.00 0.89 H new ATOM 0 HB2 SER A 169 18.964 -16.662 -0.800 1.00 1.01 H new ATOM 0 HB3 SER A 169 19.497 -17.201 -2.380 1.00 1.01 H new ATOM 0 HG SER A 169 20.496 -15.196 -1.754 1.00 1.53 H new ATOM 2621 N ASN A 170 16.362 -16.246 -0.224 1.00 0.68 N ATOM 2622 CA ASN A 170 15.504 -16.706 0.861 1.00 0.69 C ATOM 2623 C ASN A 170 14.370 -15.715 1.106 1.00 0.63 C ATOM 2624 O ASN A 170 14.604 -14.526 1.320 1.00 0.60 O ATOM 2625 CB ASN A 170 16.330 -16.906 2.137 1.00 0.80 C ATOM 2626 CG ASN A 170 15.586 -17.674 3.216 1.00 0.91 C ATOM 2627 OD1 ASN A 170 14.372 -17.540 3.381 1.00 1.21 O ATOM 2628 ND2 ASN A 170 16.314 -18.486 3.965 1.00 1.14 N ATOM 0 H ASN A 170 16.774 -15.325 -0.076 1.00 0.68 H new ATOM 0 HA ASN A 170 15.064 -17.662 0.576 1.00 0.69 H new ATOM 0 HB2 ASN A 170 17.248 -17.438 1.888 1.00 0.80 H new ATOM 0 HB3 ASN A 170 16.623 -15.932 2.529 1.00 0.80 H new ATOM 0 HD21 ASN A 170 15.872 -19.027 4.708 1.00 1.14 H new ATOM 0 HD22 ASN A 170 17.317 -18.571 3.799 1.00 1.14 H new ATOM 2635 N MET A 171 13.143 -16.220 1.096 1.00 0.67 N ATOM 2636 CA MET A 171 11.963 -15.385 1.302 1.00 0.66 C ATOM 2637 C MET A 171 11.970 -14.732 2.684 1.00 0.59 C ATOM 2638 O MET A 171 11.630 -13.558 2.821 1.00 0.55 O ATOM 2639 CB MET A 171 10.689 -16.211 1.132 1.00 0.78 C ATOM 2640 CG MET A 171 10.404 -16.612 -0.308 1.00 0.95 C ATOM 2641 SD MET A 171 9.231 -17.976 -0.420 1.00 1.54 S ATOM 2642 CE MET A 171 8.939 -18.038 -2.184 1.00 1.96 C ATOM 0 H MET A 171 12.937 -17.208 0.947 1.00 0.67 H new ATOM 0 HA MET A 171 11.987 -14.595 0.551 1.00 0.66 H new ATOM 0 HB2 MET A 171 10.767 -17.111 1.741 1.00 0.78 H new ATOM 0 HB3 MET A 171 9.843 -15.640 1.514 1.00 0.78 H new ATOM 0 HG2 MET A 171 10.011 -15.752 -0.851 1.00 0.95 H new ATOM 0 HG3 MET A 171 11.337 -16.897 -0.795 1.00 0.95 H new ATOM 0 HE1 MET A 171 8.231 -18.836 -2.408 1.00 1.96 H new ATOM 0 HE2 MET A 171 8.529 -17.085 -2.519 1.00 1.96 H new ATOM 0 HE3 MET A 171 9.879 -18.231 -2.702 1.00 1.96 H new ATOM 2652 N ASP A 172 12.381 -15.490 3.698 1.00 0.63 N ATOM 2653 CA ASP A 172 12.417 -14.991 5.073 1.00 0.62 C ATOM 2654 C ASP A 172 13.357 -13.801 5.186 1.00 0.54 C ATOM 2655 O ASP A 172 13.044 -12.804 5.840 1.00 0.57 O ATOM 2656 CB ASP A 172 12.860 -16.100 6.030 1.00 0.70 C ATOM 2657 CG ASP A 172 12.341 -15.883 7.441 1.00 1.26 C ATOM 2658 OD1 ASP A 172 12.974 -15.130 8.212 1.00 1.82 O ATOM 2659 OD2 ASP A 172 11.289 -16.470 7.786 1.00 2.05 O1- ATOM 0 H ASP A 172 12.695 -16.455 3.594 1.00 0.63 H new ATOM 0 HA ASP A 172 11.412 -14.669 5.346 1.00 0.62 H new ATOM 0 HB2 ASP A 172 12.505 -17.061 5.658 1.00 0.70 H new ATOM 0 HB3 ASP A 172 13.949 -16.148 6.049 1.00 0.70 H new ATOM 2664 N VAL A 173 14.502 -13.906 4.527 1.00 0.51 N ATOM 2665 CA VAL A 173 15.490 -12.839 4.546 1.00 0.49 C ATOM 2666 C VAL A 173 14.965 -11.614 3.807 1.00 0.42 C ATOM 2667 O VAL A 173 15.042 -10.496 4.313 1.00 0.43 O ATOM 2668 CB VAL A 173 16.828 -13.290 3.916 1.00 0.55 C ATOM 2669 CG1 VAL A 173 17.827 -12.141 3.871 1.00 0.58 C ATOM 2670 CG2 VAL A 173 17.408 -14.465 4.688 1.00 0.65 C ATOM 0 H VAL A 173 14.769 -14.720 3.973 1.00 0.51 H new ATOM 0 HA VAL A 173 15.673 -12.584 5.590 1.00 0.49 H new ATOM 0 HB VAL A 173 16.629 -13.606 2.892 1.00 0.55 H new ATOM 0 HG11 VAL A 173 18.759 -12.486 3.423 1.00 0.58 H new ATOM 0 HG12 VAL A 173 17.418 -11.326 3.274 1.00 0.58 H new ATOM 0 HG13 VAL A 173 18.020 -11.787 4.884 1.00 0.58 H new ATOM 0 HG21 VAL A 173 18.350 -14.771 4.232 1.00 0.65 H new ATOM 0 HG22 VAL A 173 17.585 -14.169 5.722 1.00 0.65 H new ATOM 0 HG23 VAL A 173 16.706 -15.298 4.664 1.00 0.65 H new ATOM 2680 N PHE A 174 14.408 -11.848 2.622 1.00 0.42 N ATOM 2681 CA PHE A 174 13.860 -10.781 1.786 1.00 0.38 C ATOM 2682 C PHE A 174 12.814 -9.953 2.533 1.00 0.35 C ATOM 2683 O PHE A 174 12.879 -8.724 2.542 1.00 0.35 O ATOM 2684 CB PHE A 174 13.239 -11.378 0.517 1.00 0.41 C ATOM 2685 CG PHE A 174 12.586 -10.358 -0.374 1.00 0.39 C ATOM 2686 CD1 PHE A 174 13.352 -9.550 -1.200 1.00 0.42 C ATOM 2687 CD2 PHE A 174 11.208 -10.199 -0.382 1.00 0.44 C ATOM 2688 CE1 PHE A 174 12.757 -8.605 -2.014 1.00 0.45 C ATOM 2689 CE2 PHE A 174 10.609 -9.257 -1.194 1.00 0.47 C ATOM 2690 CZ PHE A 174 11.385 -8.458 -2.009 1.00 0.45 C ATOM 0 H PHE A 174 14.323 -12.779 2.214 1.00 0.42 H new ATOM 0 HA PHE A 174 14.682 -10.117 1.518 1.00 0.38 H new ATOM 0 HB2 PHE A 174 14.014 -11.897 -0.047 1.00 0.41 H new ATOM 0 HB3 PHE A 174 12.499 -12.125 0.802 1.00 0.41 H new ATOM 0 HD1 PHE A 174 14.426 -9.660 -1.207 1.00 0.42 H new ATOM 0 HD2 PHE A 174 10.596 -10.820 0.255 1.00 0.44 H new ATOM 0 HE1 PHE A 174 13.365 -7.982 -2.653 1.00 0.45 H new ATOM 0 HE2 PHE A 174 9.535 -9.145 -1.192 1.00 0.47 H new ATOM 0 HZ PHE A 174 10.919 -7.718 -2.643 1.00 0.45 H new ATOM 2700 N VAL A 175 11.858 -10.632 3.166 1.00 0.37 N ATOM 2701 CA VAL A 175 10.793 -9.954 3.903 1.00 0.37 C ATOM 2702 C VAL A 175 11.354 -9.005 4.962 1.00 0.35 C ATOM 2703 O VAL A 175 10.977 -7.832 5.019 1.00 0.36 O ATOM 2704 CB VAL A 175 9.841 -10.965 4.583 1.00 0.41 C ATOM 2705 CG1 VAL A 175 8.817 -10.251 5.455 1.00 0.48 C ATOM 2706 CG2 VAL A 175 9.141 -11.816 3.538 1.00 0.45 C ATOM 0 H VAL A 175 11.799 -11.650 3.183 1.00 0.37 H new ATOM 0 HA VAL A 175 10.233 -9.374 3.169 1.00 0.37 H new ATOM 0 HB VAL A 175 10.438 -11.614 5.224 1.00 0.41 H new ATOM 0 HG11 VAL A 175 8.160 -10.986 5.921 1.00 0.48 H new ATOM 0 HG12 VAL A 175 9.332 -9.682 6.229 1.00 0.48 H new ATOM 0 HG13 VAL A 175 8.225 -9.574 4.840 1.00 0.48 H new ATOM 0 HG21 VAL A 175 8.474 -12.523 4.032 1.00 0.45 H new ATOM 0 HG22 VAL A 175 8.562 -11.174 2.874 1.00 0.45 H new ATOM 0 HG23 VAL A 175 9.884 -12.363 2.957 1.00 0.45 H new ATOM 2716 N GLN A 176 12.273 -9.509 5.779 1.00 0.37 N ATOM 2717 CA GLN A 176 12.871 -8.705 6.838 1.00 0.39 C ATOM 2718 C GLN A 176 13.770 -7.621 6.261 1.00 0.38 C ATOM 2719 O GLN A 176 13.839 -6.520 6.796 1.00 0.40 O ATOM 2720 CB GLN A 176 13.650 -9.591 7.813 1.00 0.44 C ATOM 2721 CG GLN A 176 12.779 -10.621 8.518 1.00 0.64 C ATOM 2722 CD GLN A 176 11.521 -10.016 9.126 1.00 0.81 C ATOM 2723 OE1 GLN A 176 11.523 -8.879 9.599 1.00 1.70 O ATOM 2724 NE2 GLN A 176 10.433 -10.772 9.110 1.00 1.11 N ATOM 0 H GLN A 176 12.619 -10.467 5.728 1.00 0.37 H new ATOM 0 HA GLN A 176 12.065 -8.216 7.386 1.00 0.39 H new ATOM 0 HB2 GLN A 176 14.443 -10.106 7.271 1.00 0.44 H new ATOM 0 HB3 GLN A 176 14.132 -8.961 8.560 1.00 0.44 H new ATOM 0 HG2 GLN A 176 12.496 -11.398 7.807 1.00 0.64 H new ATOM 0 HG3 GLN A 176 13.360 -11.104 9.304 1.00 0.64 H new ATOM 0 HE21 GLN A 176 10.469 -11.709 8.710 1.00 1.11 H new ATOM 0 HE22 GLN A 176 9.559 -10.417 9.498 1.00 1.11 H new ATOM 2733 N GLN A 177 14.443 -7.936 5.164 1.00 0.37 N ATOM 2734 CA GLN A 177 15.326 -6.984 4.504 1.00 0.39 C ATOM 2735 C GLN A 177 14.532 -5.788 3.985 1.00 0.37 C ATOM 2736 O GLN A 177 14.909 -4.637 4.205 1.00 0.39 O ATOM 2737 CB GLN A 177 16.054 -7.676 3.350 1.00 0.42 C ATOM 2738 CG GLN A 177 17.189 -6.870 2.746 1.00 0.56 C ATOM 2739 CD GLN A 177 17.843 -7.590 1.585 1.00 0.58 C ATOM 2740 OE1 GLN A 177 17.193 -8.335 0.853 1.00 1.02 O ATOM 2741 NE2 GLN A 177 19.137 -7.379 1.414 1.00 1.32 N ATOM 0 H GLN A 177 14.394 -8.848 4.710 1.00 0.37 H new ATOM 0 HA GLN A 177 16.058 -6.621 5.226 1.00 0.39 H new ATOM 0 HB2 GLN A 177 16.450 -8.627 3.706 1.00 0.42 H new ATOM 0 HB3 GLN A 177 15.331 -7.905 2.567 1.00 0.42 H new ATOM 0 HG2 GLN A 177 16.809 -5.907 2.407 1.00 0.56 H new ATOM 0 HG3 GLN A 177 17.936 -6.666 3.513 1.00 0.56 H new ATOM 0 HE21 GLN A 177 19.639 -6.753 2.044 1.00 1.32 H new ATOM 0 HE22 GLN A 177 19.633 -7.842 0.652 1.00 1.32 H new ATOM 2750 N TYR A 178 13.420 -6.074 3.314 1.00 0.36 N ATOM 2751 CA TYR A 178 12.559 -5.031 2.768 1.00 0.36 C ATOM 2752 C TYR A 178 12.099 -4.101 3.884 1.00 0.36 C ATOM 2753 O TYR A 178 12.174 -2.877 3.764 1.00 0.39 O ATOM 2754 CB TYR A 178 11.343 -5.661 2.067 1.00 0.37 C ATOM 2755 CG TYR A 178 10.638 -4.739 1.089 1.00 0.36 C ATOM 2756 CD1 TYR A 178 9.693 -3.818 1.525 1.00 0.40 C ATOM 2757 CD2 TYR A 178 10.917 -4.795 -0.274 1.00 0.44 C ATOM 2758 CE1 TYR A 178 9.048 -2.977 0.632 1.00 0.42 C ATOM 2759 CE2 TYR A 178 10.276 -3.958 -1.172 1.00 0.46 C ATOM 2760 CZ TYR A 178 9.343 -3.052 -0.714 1.00 0.40 C ATOM 2761 OH TYR A 178 8.698 -2.217 -1.604 1.00 0.45 O ATOM 0 H TYR A 178 13.094 -7.024 3.135 1.00 0.36 H new ATOM 0 HA TYR A 178 13.123 -4.453 2.036 1.00 0.36 H new ATOM 0 HB2 TYR A 178 11.668 -6.555 1.535 1.00 0.37 H new ATOM 0 HB3 TYR A 178 10.628 -5.983 2.824 1.00 0.37 H new ATOM 0 HD1 TYR A 178 9.457 -3.757 2.577 1.00 0.40 H new ATOM 0 HD2 TYR A 178 11.646 -5.504 -0.637 1.00 0.44 H new ATOM 0 HE1 TYR A 178 8.317 -2.266 0.988 1.00 0.42 H new ATOM 0 HE2 TYR A 178 10.506 -4.015 -2.226 1.00 0.46 H new ATOM 0 HH TYR A 178 9.020 -2.396 -2.512 1.00 0.45 H new ATOM 2771 N ALA A 179 11.655 -4.697 4.980 1.00 0.35 N ATOM 2772 CA ALA A 179 11.175 -3.940 6.129 1.00 0.37 C ATOM 2773 C ALA A 179 12.309 -3.154 6.796 1.00 0.39 C ATOM 2774 O ALA A 179 12.125 -2.002 7.204 1.00 0.43 O ATOM 2775 CB ALA A 179 10.514 -4.871 7.130 1.00 0.39 C ATOM 0 H ALA A 179 11.617 -5.709 5.099 1.00 0.35 H new ATOM 0 HA ALA A 179 10.438 -3.220 5.773 1.00 0.37 H new ATOM 0 HB1 ALA A 179 10.159 -4.294 7.984 1.00 0.39 H new ATOM 0 HB2 ALA A 179 9.671 -5.375 6.657 1.00 0.39 H new ATOM 0 HB3 ALA A 179 11.237 -5.614 7.468 1.00 0.39 H new ATOM 2781 N ASP A 180 13.474 -3.789 6.909 1.00 0.39 N ATOM 2782 CA ASP A 180 14.649 -3.157 7.512 1.00 0.44 C ATOM 2783 C ASP A 180 15.074 -1.941 6.695 1.00 0.44 C ATOM 2784 O ASP A 180 15.441 -0.905 7.248 1.00 0.49 O ATOM 2785 CB ASP A 180 15.805 -4.159 7.603 1.00 0.48 C ATOM 2786 CG ASP A 180 17.029 -3.602 8.310 1.00 0.80 C ATOM 2787 OD1 ASP A 180 17.026 -3.535 9.559 1.00 1.40 O1- ATOM 2788 OD2 ASP A 180 18.012 -3.256 7.616 1.00 1.55 O ATOM 0 H ASP A 180 13.631 -4.745 6.590 1.00 0.39 H new ATOM 0 HA ASP A 180 14.388 -2.830 8.519 1.00 0.44 H new ATOM 0 HB2 ASP A 180 15.464 -5.050 8.130 1.00 0.48 H new ATOM 0 HB3 ASP A 180 16.086 -4.472 6.597 1.00 0.48 H new ATOM 2793 N THR A 181 15.014 -2.073 5.372 1.00 0.42 N ATOM 2794 CA THR A 181 15.375 -0.979 4.471 1.00 0.43 C ATOM 2795 C THR A 181 14.486 0.238 4.721 1.00 0.42 C ATOM 2796 O THR A 181 14.967 1.372 4.758 1.00 0.45 O ATOM 2797 CB THR A 181 15.269 -1.399 2.988 1.00 0.44 C ATOM 2798 OG1 THR A 181 15.967 -2.630 2.773 1.00 0.47 O ATOM 2799 CG2 THR A 181 15.856 -0.329 2.072 1.00 0.48 C ATOM 0 H THR A 181 14.719 -2.927 4.899 1.00 0.42 H new ATOM 0 HA THR A 181 16.413 -0.721 4.679 1.00 0.43 H new ATOM 0 HB THR A 181 14.212 -1.526 2.753 1.00 0.44 H new ATOM 0 HG1 THR A 181 15.414 -3.378 3.081 1.00 0.47 H new ATOM 0 HG21 THR A 181 15.768 -0.650 1.034 1.00 0.48 H new ATOM 0 HG22 THR A 181 15.312 0.606 2.209 1.00 0.48 H new ATOM 0 HG23 THR A 181 16.907 -0.177 2.317 1.00 0.48 H new ATOM 2807 N VAL A 182 13.192 -0.007 4.916 1.00 0.40 N ATOM 2808 CA VAL A 182 12.236 1.068 5.175 1.00 0.40 C ATOM 2809 C VAL A 182 12.617 1.829 6.441 1.00 0.44 C ATOM 2810 O VAL A 182 12.763 3.054 6.422 1.00 0.48 O ATOM 2811 CB VAL A 182 10.797 0.529 5.334 1.00 0.40 C ATOM 2812 CG1 VAL A 182 9.813 1.669 5.568 1.00 0.43 C ATOM 2813 CG2 VAL A 182 10.386 -0.273 4.113 1.00 0.39 C ATOM 0 H VAL A 182 12.781 -0.940 4.900 1.00 0.40 H new ATOM 0 HA VAL A 182 12.268 1.735 4.314 1.00 0.40 H new ATOM 0 HB VAL A 182 10.780 -0.127 6.204 1.00 0.40 H new ATOM 0 HG11 VAL A 182 8.807 1.264 5.677 1.00 0.43 H new ATOM 0 HG12 VAL A 182 10.088 2.207 6.475 1.00 0.43 H new ATOM 0 HG13 VAL A 182 9.839 2.352 4.719 1.00 0.43 H new ATOM 0 HG21 VAL A 182 9.369 -0.643 4.246 1.00 0.39 H new ATOM 0 HG22 VAL A 182 10.428 0.363 3.229 1.00 0.39 H new ATOM 0 HG23 VAL A 182 11.065 -1.116 3.986 1.00 0.39 H new ATOM 2823 N LYS A 183 12.795 1.086 7.528 1.00 0.44 N ATOM 2824 CA LYS A 183 13.156 1.667 8.814 1.00 0.50 C ATOM 2825 C LYS A 183 14.486 2.417 8.724 1.00 0.53 C ATOM 2826 O LYS A 183 14.607 3.550 9.193 1.00 0.60 O ATOM 2827 CB LYS A 183 13.242 0.570 9.881 1.00 0.53 C ATOM 2828 CG LYS A 183 13.596 1.087 11.264 1.00 0.60 C ATOM 2829 CD LYS A 183 13.647 -0.041 12.273 1.00 0.75 C ATOM 2830 CE LYS A 183 13.822 0.480 13.686 1.00 0.93 C ATOM 2831 NZ LYS A 183 13.901 -0.625 14.674 1.00 1.59 N1+ ATOM 0 H LYS A 183 12.694 0.071 7.542 1.00 0.44 H new ATOM 0 HA LYS A 183 12.381 2.381 9.095 1.00 0.50 H new ATOM 0 HB2 LYS A 183 12.286 0.050 9.932 1.00 0.53 H new ATOM 0 HB3 LYS A 183 13.988 -0.163 9.575 1.00 0.53 H new ATOM 0 HG2 LYS A 183 14.561 1.592 11.230 1.00 0.60 H new ATOM 0 HG3 LYS A 183 12.860 1.827 11.578 1.00 0.60 H new ATOM 0 HD2 LYS A 183 12.729 -0.626 12.212 1.00 0.75 H new ATOM 0 HD3 LYS A 183 14.470 -0.712 12.028 1.00 0.75 H new ATOM 0 HE2 LYS A 183 14.728 1.083 13.742 1.00 0.93 H new ATOM 0 HE3 LYS A 183 12.988 1.134 13.938 1.00 0.93 H new ATOM 0 HZ1 LYS A 183 14.020 -0.229 15.628 1.00 1.59 H new ATOM 0 HZ2 LYS A 183 13.026 -1.186 14.639 1.00 1.59 H new ATOM 0 HZ3 LYS A 183 14.712 -1.235 14.448 1.00 1.59 H new ATOM 2845 N TYR A 184 15.469 1.779 8.100 1.00 0.52 N ATOM 2846 CA TYR A 184 16.795 2.364 7.940 1.00 0.57 C ATOM 2847 C TYR A 184 16.734 3.690 7.184 1.00 0.58 C ATOM 2848 O TYR A 184 17.357 4.668 7.593 1.00 0.65 O ATOM 2849 CB TYR A 184 17.724 1.388 7.208 1.00 0.60 C ATOM 2850 CG TYR A 184 19.132 1.904 7.030 1.00 0.70 C ATOM 2851 CD1 TYR A 184 20.037 1.877 8.082 1.00 0.84 C ATOM 2852 CD2 TYR A 184 19.554 2.416 5.811 1.00 0.74 C ATOM 2853 CE1 TYR A 184 21.326 2.348 7.925 1.00 0.99 C ATOM 2854 CE2 TYR A 184 20.841 2.890 5.645 1.00 0.88 C ATOM 2855 CZ TYR A 184 21.725 2.852 6.705 1.00 0.99 C ATOM 2856 OH TYR A 184 23.007 3.331 6.550 1.00 1.17 O ATOM 0 H TYR A 184 15.371 0.849 7.693 1.00 0.52 H new ATOM 0 HA TYR A 184 17.192 2.560 8.936 1.00 0.57 H new ATOM 0 HB2 TYR A 184 17.758 0.449 7.761 1.00 0.60 H new ATOM 0 HB3 TYR A 184 17.302 1.165 6.228 1.00 0.60 H new ATOM 0 HD1 TYR A 184 19.728 1.481 9.038 1.00 0.84 H new ATOM 0 HD2 TYR A 184 18.866 2.444 4.979 1.00 0.74 H new ATOM 0 HE1 TYR A 184 22.018 2.322 8.754 1.00 0.99 H new ATOM 0 HE2 TYR A 184 21.154 3.288 4.691 1.00 0.88 H new ATOM 0 HH TYR A 184 23.128 3.649 5.631 1.00 1.17 H new ATOM 2866 N LEU A 185 15.979 3.723 6.088 1.00 0.54 N ATOM 2867 CA LEU A 185 15.858 4.931 5.281 1.00 0.57 C ATOM 2868 C LEU A 185 15.055 6.008 6.007 1.00 0.59 C ATOM 2869 O LEU A 185 15.366 7.197 5.903 1.00 0.68 O ATOM 2870 CB LEU A 185 15.214 4.609 3.931 1.00 0.54 C ATOM 2871 CG LEU A 185 16.082 3.788 2.970 1.00 0.54 C ATOM 2872 CD1 LEU A 185 15.295 3.407 1.729 1.00 0.53 C ATOM 2873 CD2 LEU A 185 17.336 4.562 2.585 1.00 0.61 C ATOM 0 H LEU A 185 15.443 2.928 5.740 1.00 0.54 H new ATOM 0 HA LEU A 185 16.862 5.319 5.110 1.00 0.57 H new ATOM 0 HB2 LEU A 185 14.286 4.066 4.110 1.00 0.54 H new ATOM 0 HB3 LEU A 185 14.946 5.546 3.442 1.00 0.54 H new ATOM 0 HG LEU A 185 16.383 2.874 3.481 1.00 0.54 H new ATOM 0 HD11 LEU A 185 15.929 2.825 1.060 1.00 0.53 H new ATOM 0 HD12 LEU A 185 14.428 2.812 2.016 1.00 0.53 H new ATOM 0 HD13 LEU A 185 14.962 4.310 1.218 1.00 0.53 H new ATOM 0 HD21 LEU A 185 17.939 3.962 1.903 1.00 0.61 H new ATOM 0 HD22 LEU A 185 17.053 5.494 2.096 1.00 0.61 H new ATOM 0 HD23 LEU A 185 17.916 4.785 3.481 1.00 0.61 H new ATOM 2885 N SER A 186 14.033 5.595 6.750 1.00 0.55 N ATOM 2886 CA SER A 186 13.198 6.538 7.487 1.00 0.60 C ATOM 2887 C SER A 186 14.008 7.255 8.565 1.00 0.65 C ATOM 2888 O SER A 186 13.826 8.452 8.806 1.00 0.73 O ATOM 2889 CB SER A 186 12.002 5.816 8.114 1.00 0.59 C ATOM 2890 OG SER A 186 11.229 5.158 7.126 1.00 1.07 O ATOM 0 H SER A 186 13.763 4.617 6.858 1.00 0.55 H new ATOM 0 HA SER A 186 12.828 7.284 6.784 1.00 0.60 H new ATOM 0 HB2 SER A 186 12.355 5.091 8.847 1.00 0.59 H new ATOM 0 HB3 SER A 186 11.380 6.533 8.649 1.00 0.59 H new ATOM 0 HG SER A 186 11.615 4.276 6.942 1.00 1.07 H new ATOM 2896 N GLU A 187 14.916 6.524 9.197 1.00 0.66 N ATOM 2897 CA GLU A 187 15.760 7.083 10.245 1.00 0.76 C ATOM 2898 C GLU A 187 17.125 7.491 9.694 1.00 0.82 C ATOM 2899 O GLU A 187 18.084 7.666 10.452 1.00 0.98 O ATOM 2900 CB GLU A 187 15.942 6.061 11.364 1.00 0.80 C ATOM 2901 CG GLU A 187 14.687 5.828 12.187 1.00 1.10 C ATOM 2902 CD GLU A 187 14.504 6.861 13.277 1.00 1.56 C ATOM 2903 OE1 GLU A 187 13.888 7.919 13.007 1.00 2.26 O1- ATOM 2904 OE2 GLU A 187 14.971 6.620 14.408 1.00 2.01 O ATOM 0 H GLU A 187 15.088 5.538 9.001 1.00 0.66 H new ATOM 0 HA GLU A 187 15.269 7.973 10.638 1.00 0.76 H new ATOM 0 HB2 GLU A 187 16.263 5.114 10.930 1.00 0.80 H new ATOM 0 HB3 GLU A 187 16.742 6.397 12.024 1.00 0.80 H new ATOM 0 HG2 GLU A 187 13.818 5.842 11.529 1.00 1.10 H new ATOM 0 HG3 GLU A 187 14.731 4.836 12.636 1.00 1.10 H new ATOM 2911 N LYS A 188 17.215 7.631 8.377 1.00 0.79 N ATOM 2912 CA LYS A 188 18.464 8.017 7.734 1.00 0.86 C ATOM 2913 C LYS A 188 18.512 9.527 7.530 1.00 0.99 C ATOM 2914 O LYS A 188 18.287 10.028 6.427 1.00 1.46 O ATOM 2915 CB LYS A 188 18.624 7.293 6.393 1.00 0.82 C ATOM 2916 CG LYS A 188 20.063 7.207 5.907 1.00 0.95 C ATOM 2917 CD LYS A 188 20.153 6.513 4.556 1.00 1.00 C ATOM 2918 CE LYS A 188 21.559 6.574 3.983 1.00 1.25 C ATOM 2919 NZ LYS A 188 21.952 7.958 3.602 1.00 1.72 N1+ ATOM 0 H LYS A 188 16.437 7.483 7.734 1.00 0.79 H new ATOM 0 HA LYS A 188 19.290 7.727 8.384 1.00 0.86 H new ATOM 0 HB2 LYS A 188 18.221 6.284 6.485 1.00 0.82 H new ATOM 0 HB3 LYS A 188 18.027 7.807 5.640 1.00 0.82 H new ATOM 0 HG2 LYS A 188 20.483 8.210 5.831 1.00 0.95 H new ATOM 0 HG3 LYS A 188 20.663 6.664 6.637 1.00 0.95 H new ATOM 0 HD2 LYS A 188 19.848 5.472 4.661 1.00 1.00 H new ATOM 0 HD3 LYS A 188 19.456 6.980 3.860 1.00 1.00 H new ATOM 0 HE2 LYS A 188 22.266 6.187 4.717 1.00 1.25 H new ATOM 0 HE3 LYS A 188 21.621 5.927 3.108 1.00 1.25 H new ATOM 0 HZ1 LYS A 188 22.814 7.927 3.021 1.00 1.72 H new ATOM 0 HZ2 LYS A 188 21.184 8.400 3.057 1.00 1.72 H new ATOM 0 HZ3 LYS A 188 22.133 8.516 4.461 1.00 1.72 H new ATOM 2933 N LYS A 189 18.786 10.244 8.610 1.00 1.41 N ATOM 2934 CA LYS A 189 18.860 11.699 8.569 1.00 1.63 C ATOM 2935 C LYS A 189 20.192 12.158 7.990 1.00 2.24 C ATOM 2936 O LYS A 189 21.247 11.752 8.522 1.00 2.81 O ATOM 2937 CB LYS A 189 18.676 12.278 9.972 1.00 2.37 C ATOM 2938 CG LYS A 189 18.335 13.758 9.976 1.00 2.87 C ATOM 2939 CD LYS A 189 18.487 14.369 11.362 1.00 3.48 C ATOM 2940 CE LYS A 189 17.710 13.590 12.416 1.00 3.91 C ATOM 2941 NZ LYS A 189 17.782 14.233 13.756 1.00 4.33 N1+ ATOM 2942 OXT LYS A 189 20.180 12.939 7.015 1.00 2.89 O1- ATOM 0 H LYS A 189 18.962 9.840 9.530 1.00 1.41 H new ATOM 0 HA LYS A 189 18.059 12.061 7.925 1.00 1.63 H new ATOM 0 HB2 LYS A 189 17.884 11.729 10.482 1.00 2.37 H new ATOM 0 HB3 LYS A 189 19.591 12.122 10.544 1.00 2.37 H new ATOM 0 HG2 LYS A 189 18.984 14.282 9.274 1.00 2.87 H new ATOM 0 HG3 LYS A 189 17.311 13.896 9.628 1.00 2.87 H new ATOM 0 HD2 LYS A 189 19.542 14.394 11.634 1.00 3.48 H new ATOM 0 HD3 LYS A 189 18.138 15.402 11.344 1.00 3.48 H new ATOM 0 HE2 LYS A 189 16.667 13.508 12.110 1.00 3.91 H new ATOM 0 HE3 LYS A 189 18.104 12.576 12.480 1.00 3.91 H new ATOM 0 HZ1 LYS A 189 17.240 13.669 14.441 1.00 4.33 H new ATOM 0 HZ2 LYS A 189 18.775 14.288 14.062 1.00 4.33 H new ATOM 0 HZ3 LYS A 189 17.382 15.192 13.703 1.00 4.33 H new TER 2956 LYS A 189 HETATM 2957 O3 SFQ A 201 8.191 -9.353 -8.747 1.00 2.80 O HETATM 2958 C13 SFQ A 201 8.282 -10.015 -7.693 1.00 2.19 C HETATM 2959 O4 SFQ A 201 7.355 -10.794 -7.376 1.00 2.04 O HETATM 2960 C8 SFQ A 201 9.421 -9.920 -6.905 1.00 1.95 C HETATM 2961 C9 SFQ A 201 10.487 -9.134 -7.328 1.00 2.61 C HETATM 2962 C10 SFQ A 201 11.649 -9.065 -6.568 1.00 2.73 C HETATM 2963 C11 SFQ A 201 11.748 -9.781 -5.379 1.00 2.07 C HETATM 2964 C12 SFQ A 201 10.686 -10.563 -4.948 1.00 1.25 C HETATM 2965 C7 SFQ A 201 9.526 -10.631 -5.713 1.00 1.28 C HETATM 2966 N1 SFQ A 201 8.469 -11.347 -5.342 1.00 1.26 N HETATM 2967 S1 SFQ A 201 8.587 -12.184 -3.950 1.00 1.32 S HETATM 2968 O1 SFQ A 201 7.228 -12.800 -3.611 1.00 1.89 O HETATM 2969 O2 SFQ A 201 9.008 -11.247 -2.815 1.00 2.07 O HETATM 2970 C4 SFQ A 201 9.766 -13.470 -4.120 1.00 1.37 C HETATM 2971 C2 SFQ A 201 10.856 -13.547 -3.255 1.00 2.11 C HETATM 2972 C1 SFQ A 201 11.782 -14.576 -3.395 1.00 2.79 C HETATM 2973 C3 SFQ A 201 11.621 -15.526 -4.397 1.00 2.87 C HETATM 2974 I1 SFQ A 201 13.011 -17.074 -4.607 1.00 4.24 I HETATM 2975 C6 SFQ A 201 10.538 -15.442 -5.264 1.00 2.39 C HETATM 2976 C5 SFQ A 201 9.611 -14.420 -5.122 1.00 1.65 C