USER MOD reduce.3.24.130724 H: found=0, std=0, add=1467, rem=0, adj=49 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 166 MET CE :methyl -125:sc= -0.234 (180deg=-1.6) USER MOD Set 1.2: A 181 THR OG1 : rot 56:sc= 1.2 USER MOD Set 2.1: A 162 ASN : amide:sc= 0.0134 K(o=-0.12,f=-1.4) USER MOD Set 2.2: A 164 GLN : amide:sc= -0.138 K(o=-0.12,f=-3.1!) USER MOD Set 3.1: A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 159 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 104 SER OG : rot -37:sc= 0.853 USER MOD Set 4.2: A 106 SER OG : rot 180:sc= 0.106 USER MOD Set 5.1: A 27 SER OG : rot 38:sc= 1.27 USER MOD Set 5.2: A 60 HIS : no HE2:sc= 0.741 K(o=3.4,f=-10!) USER MOD Set 5.3: A 62 ASN : amide:sc= -0.845 K(o=3.4,f=-2.7!) USER MOD Set 5.4: A 73 THR OG1 : rot 164:sc= 2.27 USER MOD Set 6.1: A 43 SER OG : rot 107:sc= 1.48 USER MOD Set 6.2: A 58 LYS NZ :NH3+ 148:sc= 2.48 (180deg=-1.5!) USER MOD Set 7.1: A 56 MET CE :methyl -135:sc= -1.06 (180deg=-3.84!) USER MOD Set 7.2: A 153 MET CE :methyl -143:sc= -1.81 (180deg=-4.59!) USER MOD Set 8.1: A 30 CYS SG : rot 160:sc= -0.755 USER MOD Set 8.2: A 33 CYS SG : rot -70:sc= -1.35 USER MOD Set 9.1: A 1 ALA N :NH3+ -173:sc= 1.43 (180deg=0.166) USER MOD Set 9.2: A 3 TYR OH : rot -140:sc= 0.955 USER MOD Single : A 2 GLN : amide:sc= 0.972 K(o=0.97,f=-0.068) USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= 1.28 (180deg=0.831) USER MOD Single : A 8 GLN : amide:sc= -0.0959! C(o=-0.096!,f=-14!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 39:sc= 0.115 USER MOD Single : A 11 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0931) USER MOD Single : A 21 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.8) USER MOD Single : A 32 HIS : +bothHN:sc= -3.81! C(o=-3.8!,f=-13!) USER MOD Single : A 34 TYR OH : rot 77:sc= 1.28 USER MOD Single : A 35 GLN : amide:sc= 0.711 K(o=0.71,f=-1.7) USER MOD Single : A 41 HIS : +bothHN:sc= 1.55 K(o=1.5,f=-9.9!) USER MOD Single : A 45 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= 0.373 (180deg=0.275) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0268 (180deg=-0.233) USER MOD Single : A 49 LYS NZ :NH3+ -108:sc= 1.15 (180deg=0.452) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0833) USER MOD Single : A 57 THR OG1 : rot 70:sc= 0.709 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 164:sc=-0.00691 (180deg=-0.241) USER MOD Single : A 70 LYS NZ :NH3+ 135:sc= 1.2 (180deg=0.187) USER MOD Single : A 74 GLN : amide:sc= 0.892 K(o=0.89,f=-1.3!) USER MOD Single : A 80 MET CE :methyl -149:sc= 0 (180deg=-0.828) USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.16) USER MOD Single : A 89 THR OG1 : rot 59:sc= 1.27 USER MOD Single : A 97 GLN : amide:sc= 0.835 K(o=0.83,f=-3.4!) USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.2) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 100 GLN : amide:sc= 0.888 K(o=0.89,f=-0.28) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.551 USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 118 LYS NZ :NH3+ -153:sc= 1.14 (180deg=0.379) USER MOD Single : A 122 TYR OH : rot -111:sc= 0.493 USER MOD Single : A 127 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.013) USER MOD Single : A 128 SER OG : rot 180:sc= 0.0028 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 75:sc= 1.26 USER MOD Single : A 137 GLN : amide:sc= 0.568 K(o=0.57,f=0) USER MOD Single : A 138 GLN : amide:sc= -0.0529! C(o=-0.053!,f=-4.9!) USER MOD Single : A 140 LYS NZ :NH3+ 157:sc= -0.146 (180deg=-0.655) USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN : amide:sc= -0.0307 X(o=-0.031,f=-0.5) USER MOD Single : A 160 GLN : amide:sc=-0.00401 K(o=-0.004,f=-1.1) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 170 ASN : amide:sc= -0.757 X(o=-0.76,f=-1.2!) USER MOD Single : A 171 MET CE :methyl 175:sc= 0 (180deg=-0.0321) USER MOD Single : A 176 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.4) USER MOD Single : A 177 GLN : amide:sc= 0.262 K(o=0.26,f=-2.5!) 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= -0.023 USER MOD Single : A 186 SER OG : rot 83:sc= 1.23 USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.280 -3.351 9.048 1.00 4.06 N ATOM 2 CA ALA A 1 21.901 -4.216 8.017 1.00 3.55 C ATOM 3 C ALA A 1 22.676 -3.366 7.020 1.00 2.45 C ATOM 4 O ALA A 1 22.963 -2.200 7.291 1.00 2.64 O ATOM 5 CB ALA A 1 20.840 -5.045 7.307 1.00 4.08 C ATOM 0 H1 ALA A 1 20.854 -3.944 9.788 1.00 4.06 H new ATOM 0 H2 ALA A 1 22.006 -2.738 9.471 1.00 4.06 H new ATOM 0 H3 ALA A 1 20.543 -2.763 8.609 1.00 4.06 H new ATOM 0 HA ALA A 1 22.596 -4.900 8.504 1.00 3.55 H new ATOM 0 HB1 ALA A 1 21.314 -5.674 6.553 1.00 4.08 H new ATOM 0 HB2 ALA A 1 20.324 -5.674 8.032 1.00 4.08 H new ATOM 0 HB3 ALA A 1 20.121 -4.381 6.826 1.00 4.08 H new ATOM 13 N GLN A 2 23.020 -3.945 5.875 1.00 1.87 N ATOM 14 CA GLN A 2 23.758 -3.221 4.848 1.00 1.08 C ATOM 15 C GLN A 2 22.792 -2.665 3.800 1.00 0.98 C ATOM 16 O GLN A 2 21.954 -3.396 3.269 1.00 1.20 O ATOM 17 CB GLN A 2 24.782 -4.145 4.188 1.00 1.59 C ATOM 18 CG GLN A 2 25.929 -3.412 3.510 1.00 2.07 C ATOM 19 CD GLN A 2 26.817 -4.339 2.705 1.00 2.84 C ATOM 20 OE1 GLN A 2 27.749 -4.944 3.235 1.00 3.18 O ATOM 21 NE2 GLN A 2 26.537 -4.458 1.417 1.00 3.58 N ATOM 0 H GLN A 2 22.800 -4.912 5.635 1.00 1.87 H new ATOM 0 HA GLN A 2 24.286 -2.389 5.313 1.00 1.08 H new ATOM 0 HB2 GLN A 2 25.190 -4.817 4.943 1.00 1.59 H new ATOM 0 HB3 GLN A 2 24.274 -4.765 3.450 1.00 1.59 H new ATOM 0 HG2 GLN A 2 25.525 -2.641 2.854 1.00 2.07 H new ATOM 0 HG3 GLN A 2 26.529 -2.905 4.266 1.00 2.07 H new ATOM 0 HE21 GLN A 2 25.756 -3.940 1.015 1.00 3.58 H new ATOM 0 HE22 GLN A 2 27.102 -5.068 0.826 1.00 3.58 H new ATOM 30 N TYR A 3 22.900 -1.367 3.518 1.00 0.86 N ATOM 31 CA TYR A 3 22.032 -0.711 2.537 1.00 0.85 C ATOM 32 C TYR A 3 22.854 0.188 1.624 1.00 0.84 C ATOM 33 O TYR A 3 23.684 0.968 2.100 1.00 0.97 O ATOM 34 CB TYR A 3 20.946 0.124 3.229 1.00 0.91 C ATOM 35 CG TYR A 3 20.406 -0.491 4.499 1.00 0.93 C ATOM 36 CD1 TYR A 3 19.538 -1.574 4.458 1.00 1.08 C ATOM 37 CD2 TYR A 3 20.771 0.008 5.741 1.00 0.96 C ATOM 38 CE1 TYR A 3 19.054 -2.143 5.622 1.00 1.18 C ATOM 39 CE2 TYR A 3 20.290 -0.552 6.905 1.00 1.07 C ATOM 40 CZ TYR A 3 19.433 -1.627 6.841 1.00 1.15 C ATOM 41 OH TYR A 3 18.965 -2.193 8.002 1.00 1.32 O ATOM 0 H TYR A 3 23.581 -0.747 3.955 1.00 0.86 H new ATOM 0 HA TYR A 3 21.550 -1.490 1.946 1.00 0.85 H new ATOM 0 HB2 TYR A 3 21.353 1.109 3.460 1.00 0.91 H new ATOM 0 HB3 TYR A 3 20.121 0.275 2.533 1.00 0.91 H new ATOM 0 HD1 TYR A 3 19.236 -1.978 3.503 1.00 1.08 H new ATOM 0 HD2 TYR A 3 21.444 0.851 5.797 1.00 0.96 H new ATOM 0 HE1 TYR A 3 18.382 -2.987 5.575 1.00 1.18 H new ATOM 0 HE2 TYR A 3 20.584 -0.149 7.863 1.00 1.07 H new ATOM 0 HH TYR A 3 18.751 -1.487 8.647 1.00 1.32 H new ATOM 51 N GLU A 4 22.636 0.061 0.321 1.00 0.79 N ATOM 52 CA GLU A 4 23.352 0.866 -0.658 1.00 0.81 C ATOM 53 C GLU A 4 22.386 1.473 -1.675 1.00 0.74 C ATOM 54 O GLU A 4 21.406 0.831 -2.072 1.00 0.72 O ATOM 55 CB GLU A 4 24.389 0.015 -1.389 1.00 0.88 C ATOM 56 CG GLU A 4 25.337 -0.740 -0.466 1.00 1.10 C ATOM 57 CD GLU A 4 25.267 -2.244 -0.656 1.00 1.60 C ATOM 58 OE1 GLU A 4 25.825 -2.747 -1.655 1.00 2.08 O1- ATOM 59 OE2 GLU A 4 24.652 -2.933 0.185 1.00 2.29 O ATOM 0 H GLU A 4 21.967 -0.594 -0.082 1.00 0.79 H new ATOM 0 HA GLU A 4 23.856 1.672 -0.125 1.00 0.81 H new ATOM 0 HB2 GLU A 4 23.871 -0.702 -2.026 1.00 0.88 H new ATOM 0 HB3 GLU A 4 24.974 0.659 -2.045 1.00 0.88 H new ATOM 0 HG2 GLU A 4 26.358 -0.403 -0.646 1.00 1.10 H new ATOM 0 HG3 GLU A 4 25.099 -0.497 0.570 1.00 1.10 H new ATOM 66 N ASP A 5 22.667 2.704 -2.091 1.00 0.74 N ATOM 67 CA ASP A 5 21.828 3.393 -3.070 1.00 0.71 C ATOM 68 C ASP A 5 22.055 2.816 -4.463 1.00 0.71 C ATOM 69 O ASP A 5 23.186 2.768 -4.952 1.00 0.77 O ATOM 70 CB ASP A 5 22.114 4.901 -3.071 1.00 0.74 C ATOM 71 CG ASP A 5 21.266 5.659 -4.082 1.00 1.14 C ATOM 72 OD1 ASP A 5 20.033 5.741 -3.893 1.00 1.76 O1- ATOM 73 OD2 ASP A 5 21.833 6.195 -5.059 1.00 1.83 O ATOM 0 H ASP A 5 23.468 3.246 -1.767 1.00 0.74 H new ATOM 0 HA ASP A 5 20.786 3.241 -2.790 1.00 0.71 H new ATOM 0 HB2 ASP A 5 21.929 5.302 -2.075 1.00 0.74 H new ATOM 0 HB3 ASP A 5 23.169 5.066 -3.291 1.00 0.74 H new ATOM 78 N GLY A 6 20.977 2.360 -5.084 1.00 0.68 N ATOM 79 CA GLY A 6 21.063 1.773 -6.407 1.00 0.70 C ATOM 80 C GLY A 6 20.935 0.265 -6.361 1.00 0.71 C ATOM 81 O GLY A 6 20.833 -0.393 -7.396 1.00 0.78 O ATOM 0 H GLY A 6 20.036 2.386 -4.692 1.00 0.68 H new ATOM 0 HA2 GLY A 6 20.277 2.186 -7.040 1.00 0.70 H new ATOM 0 HA3 GLY A 6 22.015 2.043 -6.864 1.00 0.70 H new ATOM 85 N LYS A 7 20.930 -0.279 -5.154 1.00 0.69 N ATOM 86 CA LYS A 7 20.816 -1.715 -4.965 1.00 0.71 C ATOM 87 C LYS A 7 19.549 -2.059 -4.183 1.00 0.64 C ATOM 88 O LYS A 7 18.561 -2.512 -4.759 1.00 0.62 O ATOM 89 CB LYS A 7 22.061 -2.241 -4.246 1.00 0.80 C ATOM 90 CG LYS A 7 22.200 -3.754 -4.266 1.00 0.86 C ATOM 91 CD LYS A 7 23.665 -4.173 -4.334 1.00 1.04 C ATOM 92 CE LYS A 7 23.958 -5.382 -3.459 1.00 1.23 C ATOM 93 NZ LYS A 7 24.442 -4.989 -2.105 1.00 1.87 N1+ ATOM 0 H LYS A 7 21.004 0.255 -4.288 1.00 0.69 H new ATOM 0 HA LYS A 7 20.744 -2.196 -5.941 1.00 0.71 H new ATOM 0 HB2 LYS A 7 22.946 -1.800 -4.706 1.00 0.80 H new ATOM 0 HB3 LYS A 7 22.038 -1.903 -3.210 1.00 0.80 H new ATOM 0 HG2 LYS A 7 21.740 -4.176 -3.373 1.00 0.86 H new ATOM 0 HG3 LYS A 7 21.663 -4.160 -5.123 1.00 0.86 H new ATOM 0 HD2 LYS A 7 23.928 -4.402 -5.367 1.00 1.04 H new ATOM 0 HD3 LYS A 7 24.294 -3.340 -4.022 1.00 1.04 H new ATOM 0 HE2 LYS A 7 23.055 -5.985 -3.360 1.00 1.23 H new ATOM 0 HE3 LYS A 7 24.707 -6.007 -3.944 1.00 1.23 H new ATOM 0 HZ1 LYS A 7 24.926 -5.796 -1.662 1.00 1.87 H new ATOM 0 HZ2 LYS A 7 25.104 -4.192 -2.191 1.00 1.87 H new ATOM 0 HZ3 LYS A 7 23.633 -4.705 -1.516 1.00 1.87 H new ATOM 107 N GLN A 8 19.580 -1.825 -2.870 1.00 0.66 N ATOM 108 CA GLN A 8 18.434 -2.109 -2.010 1.00 0.62 C ATOM 109 C GLN A 8 17.371 -1.035 -2.181 1.00 0.56 C ATOM 110 O GLN A 8 16.177 -1.320 -2.251 1.00 0.53 O ATOM 111 CB GLN A 8 18.852 -2.179 -0.534 1.00 0.68 C ATOM 112 CG GLN A 8 19.793 -3.329 -0.199 1.00 0.78 C ATOM 113 CD GLN A 8 21.259 -2.950 -0.333 1.00 1.02 C ATOM 114 OE1 GLN A 8 21.623 -2.108 -1.149 1.00 1.46 O ATOM 115 NE2 GLN A 8 22.107 -3.544 0.487 1.00 1.15 N ATOM 0 H GLN A 8 20.387 -1.439 -2.380 1.00 0.66 H new ATOM 0 HA GLN A 8 18.029 -3.077 -2.304 1.00 0.62 H new ATOM 0 HB2 GLN A 8 19.334 -1.240 -0.261 1.00 0.68 H new ATOM 0 HB3 GLN A 8 17.956 -2.268 0.081 1.00 0.68 H new ATOM 0 HG2 GLN A 8 19.601 -3.664 0.820 1.00 0.78 H new ATOM 0 HG3 GLN A 8 19.579 -4.171 -0.857 1.00 0.78 H new ATOM 0 HE21 GLN A 8 21.770 -4.239 1.153 1.00 1.15 H new ATOM 0 HE22 GLN A 8 23.099 -3.307 0.454 1.00 1.15 H new ATOM 124 N TYR A 9 17.815 0.205 -2.242 1.00 0.57 N ATOM 125 CA TYR A 9 16.914 1.324 -2.409 1.00 0.54 C ATOM 126 C TYR A 9 17.462 2.257 -3.468 1.00 0.55 C ATOM 127 O TYR A 9 18.634 2.170 -3.827 1.00 0.62 O ATOM 128 CB TYR A 9 16.706 2.065 -1.080 1.00 0.54 C ATOM 129 CG TYR A 9 17.919 2.827 -0.584 1.00 0.56 C ATOM 130 CD1 TYR A 9 18.861 2.219 0.238 1.00 0.63 C ATOM 131 CD2 TYR A 9 18.115 4.161 -0.931 1.00 0.59 C ATOM 132 CE1 TYR A 9 19.963 2.916 0.699 1.00 0.70 C ATOM 133 CE2 TYR A 9 19.215 4.863 -0.476 1.00 0.65 C ATOM 134 CZ TYR A 9 20.136 4.238 0.340 1.00 0.69 C ATOM 135 OH TYR A 9 21.235 4.935 0.798 1.00 0.79 O ATOM 0 H TYR A 9 18.800 0.462 -2.178 1.00 0.57 H new ATOM 0 HA TYR A 9 15.941 0.952 -2.731 1.00 0.54 H new ATOM 0 HB2 TYR A 9 15.877 2.763 -1.195 1.00 0.54 H new ATOM 0 HB3 TYR A 9 16.411 1.343 -0.319 1.00 0.54 H new ATOM 0 HD1 TYR A 9 18.730 1.185 0.521 1.00 0.63 H new ATOM 0 HD2 TYR A 9 17.395 4.656 -1.566 1.00 0.59 H new ATOM 0 HE1 TYR A 9 20.685 2.428 1.337 1.00 0.70 H new ATOM 0 HE2 TYR A 9 19.353 5.896 -0.758 1.00 0.65 H new ATOM 0 HH TYR A 9 21.208 5.852 0.453 1.00 0.79 H new ATOM 145 N THR A 10 16.622 3.140 -3.970 1.00 0.53 N ATOM 146 CA THR A 10 17.035 4.077 -4.992 1.00 0.56 C ATOM 147 C THR A 10 16.501 5.471 -4.695 1.00 0.55 C ATOM 148 O THR A 10 15.288 5.683 -4.645 1.00 0.56 O ATOM 149 CB THR A 10 16.544 3.617 -6.379 1.00 0.59 C ATOM 150 OG1 THR A 10 15.304 2.903 -6.250 1.00 0.83 O ATOM 151 CG2 THR A 10 17.576 2.725 -7.051 1.00 0.90 C ATOM 0 H THR A 10 15.647 3.227 -3.685 1.00 0.53 H new ATOM 0 HA THR A 10 18.124 4.111 -4.994 1.00 0.56 H new ATOM 0 HB THR A 10 16.393 4.502 -6.996 1.00 0.59 H new ATOM 0 HG1 THR A 10 14.744 3.340 -5.575 1.00 0.83 H new ATOM 0 HG21 THR A 10 17.207 2.413 -8.028 1.00 0.90 H new ATOM 0 HG22 THR A 10 18.508 3.276 -7.174 1.00 0.90 H new ATOM 0 HG23 THR A 10 17.754 1.845 -6.433 1.00 0.90 H new ATOM 159 N THR A 11 17.409 6.401 -4.454 1.00 0.63 N ATOM 160 CA THR A 11 17.039 7.775 -4.177 1.00 0.65 C ATOM 161 C THR A 11 16.584 8.459 -5.465 1.00 0.65 C ATOM 162 O THR A 11 17.337 8.534 -6.438 1.00 0.73 O ATOM 163 CB THR A 11 18.217 8.549 -3.562 1.00 0.71 C ATOM 164 OG1 THR A 11 18.798 7.780 -2.499 1.00 1.11 O ATOM 165 CG2 THR A 11 17.764 9.900 -3.029 1.00 0.97 C ATOM 0 H THR A 11 18.414 6.226 -4.445 1.00 0.63 H new ATOM 0 HA THR A 11 16.219 7.771 -3.458 1.00 0.65 H new ATOM 0 HB THR A 11 18.960 8.719 -4.341 1.00 0.71 H new ATOM 0 HG1 THR A 11 19.300 7.028 -2.876 1.00 1.11 H new ATOM 0 HG21 THR A 11 18.617 10.426 -2.600 1.00 0.97 H new ATOM 0 HG22 THR A 11 17.346 10.491 -3.844 1.00 0.97 H new ATOM 0 HG23 THR A 11 17.005 9.752 -2.261 1.00 0.97 H new ATOM 173 N LEU A 12 15.353 8.949 -5.466 1.00 0.63 N ATOM 174 CA LEU A 12 14.785 9.607 -6.637 1.00 0.65 C ATOM 175 C LEU A 12 15.431 10.961 -6.889 1.00 0.69 C ATOM 176 O LEU A 12 15.759 11.695 -5.953 1.00 0.71 O ATOM 177 CB LEU A 12 13.277 9.801 -6.469 1.00 0.66 C ATOM 178 CG LEU A 12 12.462 8.520 -6.294 1.00 0.67 C ATOM 179 CD1 LEU A 12 10.992 8.857 -6.104 1.00 0.74 C ATOM 180 CD2 LEU A 12 12.657 7.585 -7.481 1.00 0.72 C ATOM 0 H LEU A 12 14.724 8.904 -4.664 1.00 0.63 H new ATOM 0 HA LEU A 12 14.981 8.960 -7.492 1.00 0.65 H new ATOM 0 HB2 LEU A 12 13.105 10.441 -5.603 1.00 0.66 H new ATOM 0 HB3 LEU A 12 12.898 10.335 -7.340 1.00 0.66 H new ATOM 0 HG LEU A 12 12.817 8.003 -5.403 1.00 0.67 H new ATOM 0 HD11 LEU A 12 10.421 7.937 -5.980 1.00 0.74 H new ATOM 0 HD12 LEU A 12 10.873 9.480 -5.217 1.00 0.74 H new ATOM 0 HD13 LEU A 12 10.626 9.396 -6.978 1.00 0.74 H new ATOM 0 HD21 LEU A 12 12.067 6.681 -7.333 1.00 0.72 H new ATOM 0 HD22 LEU A 12 12.333 8.084 -8.394 1.00 0.72 H new ATOM 0 HD23 LEU A 12 13.711 7.320 -7.566 1.00 0.72 H new ATOM 192 N GLU A 13 15.620 11.279 -8.162 1.00 0.75 N ATOM 193 CA GLU A 13 16.192 12.556 -8.556 1.00 0.81 C ATOM 194 C GLU A 13 15.156 13.656 -8.367 1.00 0.80 C ATOM 195 O GLU A 13 15.482 14.794 -8.029 1.00 0.89 O ATOM 196 CB GLU A 13 16.648 12.520 -10.016 1.00 0.92 C ATOM 197 CG GLU A 13 17.722 11.487 -10.299 1.00 1.05 C ATOM 198 CD GLU A 13 18.251 11.572 -11.714 1.00 1.67 C ATOM 199 OE1 GLU A 13 17.676 12.327 -12.531 1.00 2.33 O ATOM 200 OE2 GLU A 13 19.248 10.888 -12.022 1.00 2.28 O1- ATOM 0 H GLU A 13 15.384 10.666 -8.942 1.00 0.75 H new ATOM 0 HA GLU A 13 17.061 12.757 -7.930 1.00 0.81 H new ATOM 0 HB2 GLU A 13 15.786 12.317 -10.651 1.00 0.92 H new ATOM 0 HB3 GLU A 13 17.023 13.505 -10.294 1.00 0.92 H new ATOM 0 HG2 GLU A 13 18.546 11.623 -9.598 1.00 1.05 H new ATOM 0 HG3 GLU A 13 17.317 10.490 -10.125 1.00 1.05 H new ATOM 207 N LYS A 14 13.902 13.295 -8.588 1.00 0.75 N ATOM 208 CA LYS A 14 12.789 14.217 -8.452 1.00 0.76 C ATOM 209 C LYS A 14 11.822 13.693 -7.401 1.00 0.70 C ATOM 210 O LYS A 14 10.998 12.823 -7.690 1.00 0.71 O ATOM 211 CB LYS A 14 12.067 14.382 -9.794 1.00 0.84 C ATOM 212 CG LYS A 14 12.981 14.791 -10.938 1.00 1.51 C ATOM 213 CD LYS A 14 13.440 16.234 -10.798 1.00 2.21 C ATOM 214 CE LYS A 14 14.373 16.641 -11.927 1.00 3.19 C ATOM 215 NZ LYS A 14 13.695 16.629 -13.250 1.00 3.64 N1+ ATOM 0 H LYS A 14 13.628 12.353 -8.867 1.00 0.75 H new ATOM 0 HA LYS A 14 13.169 15.190 -8.141 1.00 0.76 H new ATOM 0 HB2 LYS A 14 11.578 13.442 -10.051 1.00 0.84 H new ATOM 0 HB3 LYS A 14 11.282 15.130 -9.684 1.00 0.84 H new ATOM 0 HG2 LYS A 14 13.850 14.133 -10.964 1.00 1.51 H new ATOM 0 HG3 LYS A 14 12.458 14.665 -11.886 1.00 1.51 H new ATOM 0 HD2 LYS A 14 12.571 16.893 -10.789 1.00 2.21 H new ATOM 0 HD3 LYS A 14 13.948 16.363 -9.842 1.00 2.21 H new ATOM 0 HE2 LYS A 14 14.764 17.639 -11.730 1.00 3.19 H new ATOM 0 HE3 LYS A 14 15.227 15.964 -11.952 1.00 3.19 H new ATOM 0 HZ1 LYS A 14 14.326 17.041 -13.967 1.00 3.64 H new ATOM 0 HZ2 LYS A 14 13.464 15.650 -13.513 1.00 3.64 H new ATOM 0 HZ3 LYS A 14 12.820 17.188 -13.197 1.00 3.64 H new ATOM 229 N PRO A 15 11.935 14.188 -6.156 1.00 0.70 N ATOM 230 CA PRO A 15 11.073 13.761 -5.062 1.00 0.68 C ATOM 231 C PRO A 15 9.759 14.535 -5.016 1.00 0.67 C ATOM 232 O PRO A 15 9.592 15.549 -5.703 1.00 0.76 O ATOM 233 CB PRO A 15 11.918 14.080 -3.834 1.00 0.72 C ATOM 234 CG PRO A 15 12.704 15.282 -4.216 1.00 0.85 C ATOM 235 CD PRO A 15 12.916 15.199 -5.709 1.00 0.79 C ATOM 0 HA PRO A 15 10.778 12.715 -5.150 1.00 0.68 H new ATOM 0 HB2 PRO A 15 11.292 14.277 -2.963 1.00 0.72 H new ATOM 0 HB3 PRO A 15 12.571 13.246 -3.575 1.00 0.72 H new ATOM 0 HG2 PRO A 15 12.171 16.195 -3.950 1.00 0.85 H new ATOM 0 HG3 PRO A 15 13.658 15.305 -3.689 1.00 0.85 H new ATOM 0 HD2 PRO A 15 12.744 16.162 -6.190 1.00 0.79 H new ATOM 0 HD3 PRO A 15 13.936 14.899 -5.951 1.00 0.79 H new ATOM 243 N VAL A 16 8.836 14.059 -4.195 1.00 0.62 N ATOM 244 CA VAL A 16 7.537 14.700 -4.053 1.00 0.64 C ATOM 245 C VAL A 16 7.464 15.470 -2.742 1.00 0.64 C ATOM 246 O VAL A 16 7.568 14.882 -1.663 1.00 0.66 O ATOM 247 CB VAL A 16 6.386 13.675 -4.101 1.00 0.65 C ATOM 248 CG1 VAL A 16 5.031 14.370 -4.084 1.00 0.70 C ATOM 249 CG2 VAL A 16 6.509 12.786 -5.330 1.00 0.72 C ATOM 0 H VAL A 16 8.962 13.229 -3.615 1.00 0.62 H new ATOM 0 HA VAL A 16 7.425 15.386 -4.892 1.00 0.64 H new ATOM 0 HB VAL A 16 6.459 13.050 -3.211 1.00 0.65 H new ATOM 0 HG11 VAL A 16 4.238 13.623 -4.119 1.00 0.70 H new ATOM 0 HG12 VAL A 16 4.935 14.958 -3.171 1.00 0.70 H new ATOM 0 HG13 VAL A 16 4.948 15.027 -4.950 1.00 0.70 H new ATOM 0 HG21 VAL A 16 5.687 12.070 -5.345 1.00 0.72 H new ATOM 0 HG22 VAL A 16 6.471 13.401 -6.229 1.00 0.72 H new ATOM 0 HG23 VAL A 16 7.457 12.249 -5.298 1.00 0.72 H new ATOM 259 N ALA A 17 7.302 16.782 -2.835 1.00 0.71 N ATOM 260 CA ALA A 17 7.220 17.618 -1.649 1.00 0.75 C ATOM 261 C ALA A 17 5.817 17.559 -1.056 1.00 0.72 C ATOM 262 O ALA A 17 4.821 17.708 -1.771 1.00 0.80 O ATOM 263 CB ALA A 17 7.605 19.050 -1.975 1.00 0.89 C ATOM 0 H ALA A 17 7.225 17.288 -3.717 1.00 0.71 H new ATOM 0 HA ALA A 17 7.924 17.238 -0.909 1.00 0.75 H new ATOM 0 HB1 ALA A 17 7.537 19.659 -1.074 1.00 0.89 H new ATOM 0 HB2 ALA A 17 8.627 19.075 -2.354 1.00 0.89 H new ATOM 0 HB3 ALA A 17 6.928 19.445 -2.732 1.00 0.89 H new ATOM 269 N GLY A 18 5.749 17.347 0.247 1.00 0.71 N ATOM 270 CA GLY A 18 4.467 17.252 0.916 1.00 0.73 C ATOM 271 C GLY A 18 3.932 15.834 0.894 1.00 0.68 C ATOM 272 O GLY A 18 2.730 15.611 1.011 1.00 0.73 O ATOM 0 H GLY A 18 6.560 17.238 0.857 1.00 0.71 H new ATOM 0 HA2 GLY A 18 4.568 17.588 1.948 1.00 0.73 H new ATOM 0 HA3 GLY A 18 3.753 17.919 0.433 1.00 0.73 H new ATOM 276 N ALA A 19 4.838 14.878 0.734 1.00 0.64 N ATOM 277 CA ALA A 19 4.476 13.470 0.688 1.00 0.60 C ATOM 278 C ALA A 19 4.612 12.838 2.072 1.00 0.57 C ATOM 279 O ALA A 19 5.435 13.277 2.880 1.00 0.61 O ATOM 280 CB ALA A 19 5.353 12.742 -0.320 1.00 0.61 C ATOM 0 H ALA A 19 5.837 15.056 0.633 1.00 0.64 H new ATOM 0 HA ALA A 19 3.436 13.384 0.375 1.00 0.60 H new ATOM 0 HB1 ALA A 19 5.076 11.688 -0.349 1.00 0.61 H new ATOM 0 HB2 ALA A 19 5.213 13.181 -1.308 1.00 0.61 H new ATOM 0 HB3 ALA A 19 6.399 12.835 -0.026 1.00 0.61 H new ATOM 286 N PRO A 20 3.797 11.809 2.365 1.00 0.54 N ATOM 287 CA PRO A 20 3.824 11.108 3.656 1.00 0.54 C ATOM 288 C PRO A 20 5.157 10.414 3.933 1.00 0.51 C ATOM 289 O PRO A 20 6.024 10.331 3.063 1.00 0.52 O ATOM 290 CB PRO A 20 2.702 10.075 3.532 1.00 0.55 C ATOM 291 CG PRO A 20 2.444 9.934 2.074 1.00 0.56 C ATOM 292 CD PRO A 20 2.768 11.261 1.462 1.00 0.55 C ATOM 0 HA PRO A 20 3.695 11.803 4.486 1.00 0.54 H new ATOM 0 HB2 PRO A 20 2.997 9.122 3.971 1.00 0.55 H new ATOM 0 HB3 PRO A 20 1.806 10.405 4.058 1.00 0.55 H new ATOM 0 HG2 PRO A 20 3.062 9.146 1.644 1.00 0.56 H new ATOM 0 HG3 PRO A 20 1.405 9.662 1.887 1.00 0.56 H new ATOM 0 HD2 PRO A 20 3.142 11.154 0.444 1.00 0.55 H new ATOM 0 HD3 PRO A 20 1.891 11.906 1.413 1.00 0.55 H new ATOM 300 N GLN A 21 5.303 9.907 5.149 1.00 0.52 N ATOM 301 CA GLN A 21 6.525 9.226 5.558 1.00 0.51 C ATOM 302 C GLN A 21 6.647 7.876 4.860 1.00 0.46 C ATOM 303 O GLN A 21 7.514 7.681 4.016 1.00 0.47 O ATOM 304 CB GLN A 21 6.541 9.044 7.077 1.00 0.56 C ATOM 305 CG GLN A 21 6.284 10.332 7.842 1.00 0.66 C ATOM 306 CD GLN A 21 6.157 10.107 9.334 1.00 0.93 C ATOM 307 OE1 GLN A 21 7.140 10.156 10.069 1.00 1.79 O ATOM 308 NE2 GLN A 21 4.941 9.862 9.797 1.00 0.95 N ATOM 0 H GLN A 21 4.587 9.955 5.874 1.00 0.52 H new ATOM 0 HA GLN A 21 7.378 9.839 5.268 1.00 0.51 H new ATOM 0 HB2 GLN A 21 5.787 8.308 7.355 1.00 0.56 H new ATOM 0 HB3 GLN A 21 7.507 8.639 7.377 1.00 0.56 H new ATOM 0 HG2 GLN A 21 7.098 11.032 7.652 1.00 0.66 H new ATOM 0 HG3 GLN A 21 5.371 10.796 7.469 1.00 0.66 H new ATOM 0 HE21 GLN A 21 4.148 9.829 9.156 1.00 0.95 H new ATOM 0 HE22 GLN A 21 4.797 9.706 10.795 1.00 0.95 H new ATOM 317 N VAL A 22 5.783 6.941 5.206 1.00 0.43 N ATOM 318 CA VAL A 22 5.814 5.633 4.575 1.00 0.40 C ATOM 319 C VAL A 22 4.638 5.495 3.628 1.00 0.38 C ATOM 320 O VAL A 22 3.502 5.282 4.054 1.00 0.42 O ATOM 321 CB VAL A 22 5.807 4.488 5.609 1.00 0.42 C ATOM 322 CG1 VAL A 22 5.639 3.138 4.932 1.00 0.45 C ATOM 323 CG2 VAL A 22 7.087 4.503 6.420 1.00 0.45 C ATOM 0 H VAL A 22 5.057 7.059 5.913 1.00 0.43 H new ATOM 0 HA VAL A 22 6.747 5.555 4.016 1.00 0.40 H new ATOM 0 HB VAL A 22 4.959 4.645 6.276 1.00 0.42 H new ATOM 0 HG11 VAL A 22 5.638 2.351 5.686 1.00 0.45 H new ATOM 0 HG12 VAL A 22 4.696 3.119 4.386 1.00 0.45 H new ATOM 0 HG13 VAL A 22 6.463 2.974 4.238 1.00 0.45 H new ATOM 0 HG21 VAL A 22 7.068 3.690 7.145 1.00 0.45 H new ATOM 0 HG22 VAL A 22 7.941 4.376 5.755 1.00 0.45 H new ATOM 0 HG23 VAL A 22 7.174 5.455 6.944 1.00 0.45 H new ATOM 333 N LEU A 23 4.911 5.643 2.347 1.00 0.36 N ATOM 334 CA LEU A 23 3.883 5.545 1.330 1.00 0.36 C ATOM 335 C LEU A 23 3.996 4.226 0.583 1.00 0.32 C ATOM 336 O LEU A 23 5.025 3.936 -0.026 1.00 0.35 O ATOM 337 CB LEU A 23 4.000 6.715 0.354 1.00 0.41 C ATOM 338 CG LEU A 23 2.817 6.892 -0.598 1.00 0.46 C ATOM 339 CD1 LEU A 23 1.512 6.961 0.177 1.00 0.51 C ATOM 340 CD2 LEU A 23 2.998 8.145 -1.437 1.00 0.53 C ATOM 0 H LEU A 23 5.845 5.833 1.983 1.00 0.36 H new ATOM 0 HA LEU A 23 2.908 5.584 1.816 1.00 0.36 H new ATOM 0 HB2 LEU A 23 4.125 7.634 0.927 1.00 0.41 H new ATOM 0 HB3 LEU A 23 4.905 6.583 -0.238 1.00 0.41 H new ATOM 0 HG LEU A 23 2.778 6.029 -1.262 1.00 0.46 H new ATOM 0 HD11 LEU A 23 0.682 7.087 -0.518 1.00 0.51 H new ATOM 0 HD12 LEU A 23 1.375 6.039 0.742 1.00 0.51 H new ATOM 0 HD13 LEU A 23 1.541 7.807 0.864 1.00 0.51 H new ATOM 0 HD21 LEU A 23 2.148 8.258 -2.110 1.00 0.53 H new ATOM 0 HD22 LEU A 23 3.061 9.015 -0.783 1.00 0.53 H new ATOM 0 HD23 LEU A 23 3.915 8.063 -2.021 1.00 0.53 H new ATOM 352 N GLU A 24 2.949 3.426 0.646 1.00 0.32 N ATOM 353 CA GLU A 24 2.928 2.144 -0.032 1.00 0.30 C ATOM 354 C GLU A 24 1.796 2.111 -1.042 1.00 0.29 C ATOM 355 O GLU A 24 0.761 2.739 -0.832 1.00 0.35 O ATOM 356 CB GLU A 24 2.752 1.012 0.982 1.00 0.36 C ATOM 357 CG GLU A 24 2.865 -0.375 0.370 1.00 0.39 C ATOM 358 CD GLU A 24 1.904 -1.372 0.988 1.00 0.90 C ATOM 359 OE1 GLU A 24 0.749 -1.468 0.518 1.00 1.61 O ATOM 360 OE2 GLU A 24 2.296 -2.065 1.949 1.00 1.54 O1- ATOM 0 H GLU A 24 2.097 3.643 1.163 1.00 0.32 H new ATOM 0 HA GLU A 24 3.876 2.007 -0.552 1.00 0.30 H new ATOM 0 HB2 GLU A 24 3.503 1.117 1.765 1.00 0.36 H new ATOM 0 HB3 GLU A 24 1.777 1.111 1.459 1.00 0.36 H new ATOM 0 HG2 GLU A 24 2.675 -0.311 -0.701 1.00 0.39 H new ATOM 0 HG3 GLU A 24 3.885 -0.738 0.491 1.00 0.39 H new ATOM 367 N PHE A 25 1.994 1.395 -2.131 1.00 0.27 N ATOM 368 CA PHE A 25 0.978 1.279 -3.157 1.00 0.29 C ATOM 369 C PHE A 25 0.590 -0.178 -3.334 1.00 0.29 C ATOM 370 O PHE A 25 1.429 -1.071 -3.194 1.00 0.34 O ATOM 371 CB PHE A 25 1.485 1.857 -4.480 1.00 0.35 C ATOM 372 CG PHE A 25 1.693 3.344 -4.455 1.00 0.37 C ATOM 373 CD1 PHE A 25 0.621 4.205 -4.621 1.00 0.45 C ATOM 374 CD2 PHE A 25 2.958 3.880 -4.271 1.00 0.42 C ATOM 375 CE1 PHE A 25 0.806 5.574 -4.606 1.00 0.52 C ATOM 376 CE2 PHE A 25 3.147 5.248 -4.254 1.00 0.50 C ATOM 377 CZ PHE A 25 2.069 6.096 -4.423 1.00 0.53 C ATOM 0 H PHE A 25 2.854 0.883 -2.328 1.00 0.27 H new ATOM 0 HA PHE A 25 0.100 1.846 -2.849 1.00 0.29 H new ATOM 0 HB2 PHE A 25 2.426 1.373 -4.740 1.00 0.35 H new ATOM 0 HB3 PHE A 25 0.773 1.613 -5.268 1.00 0.35 H new ATOM 0 HD1 PHE A 25 -0.371 3.802 -4.764 1.00 0.45 H new ATOM 0 HD2 PHE A 25 3.804 3.222 -4.140 1.00 0.42 H new ATOM 0 HE1 PHE A 25 -0.038 6.235 -4.738 1.00 0.52 H new ATOM 0 HE2 PHE A 25 4.137 5.655 -4.109 1.00 0.50 H new ATOM 0 HZ PHE A 25 2.216 7.166 -4.412 1.00 0.53 H new ATOM 387 N PHE A 26 -0.682 -0.426 -3.623 1.00 0.31 N ATOM 388 CA PHE A 26 -1.164 -1.783 -3.815 1.00 0.32 C ATOM 389 C PHE A 26 -2.526 -1.782 -4.504 1.00 0.34 C ATOM 390 O PHE A 26 -3.119 -0.725 -4.748 1.00 0.38 O ATOM 391 CB PHE A 26 -1.258 -2.515 -2.465 1.00 0.34 C ATOM 392 CG PHE A 26 -2.470 -2.149 -1.650 1.00 0.36 C ATOM 393 CD1 PHE A 26 -2.659 -0.855 -1.191 1.00 0.47 C ATOM 394 CD2 PHE A 26 -3.420 -3.110 -1.342 1.00 0.38 C ATOM 395 CE1 PHE A 26 -3.774 -0.529 -0.442 1.00 0.55 C ATOM 396 CE2 PHE A 26 -4.535 -2.785 -0.593 1.00 0.44 C ATOM 397 CZ PHE A 26 -4.709 -1.495 -0.143 1.00 0.51 C ATOM 0 H PHE A 26 -1.395 0.296 -3.729 1.00 0.31 H new ATOM 0 HA PHE A 26 -0.453 -2.308 -4.453 1.00 0.32 H new ATOM 0 HB2 PHE A 26 -1.267 -3.590 -2.647 1.00 0.34 H new ATOM 0 HB3 PHE A 26 -0.363 -2.297 -1.883 1.00 0.34 H new ATOM 0 HD1 PHE A 26 -1.928 -0.094 -1.421 1.00 0.47 H new ATOM 0 HD2 PHE A 26 -3.288 -4.123 -1.691 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -3.912 0.483 -0.091 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -5.269 -3.542 -0.361 1.00 0.44 H new ATOM 0 HZ PHE A 26 -5.579 -1.241 0.444 1.00 0.51 H new ATOM 407 N SER A 27 -3.015 -2.978 -4.807 1.00 0.35 N ATOM 408 CA SER A 27 -4.303 -3.156 -5.447 1.00 0.39 C ATOM 409 C SER A 27 -4.843 -4.546 -5.151 1.00 0.40 C ATOM 410 O SER A 27 -4.100 -5.527 -5.181 1.00 0.40 O ATOM 411 CB SER A 27 -4.202 -2.945 -6.958 1.00 0.42 C ATOM 412 OG SER A 27 -5.469 -2.599 -7.503 1.00 0.96 O ATOM 0 H SER A 27 -2.525 -3.851 -4.613 1.00 0.35 H new ATOM 0 HA SER A 27 -4.988 -2.409 -5.045 1.00 0.39 H new ATOM 0 HB2 SER A 27 -3.481 -2.157 -7.173 1.00 0.42 H new ATOM 0 HB3 SER A 27 -3.832 -3.854 -7.433 1.00 0.42 H new ATOM 0 HG SER A 27 -5.945 -2.014 -6.877 1.00 0.96 H new ATOM 418 N PHE A 28 -6.132 -4.620 -4.861 1.00 0.45 N ATOM 419 CA PHE A 28 -6.776 -5.893 -4.565 1.00 0.48 C ATOM 420 C PHE A 28 -6.901 -6.737 -5.829 1.00 0.50 C ATOM 421 O PHE A 28 -7.161 -7.935 -5.768 1.00 0.54 O ATOM 422 CB PHE A 28 -8.153 -5.658 -3.938 1.00 0.53 C ATOM 423 CG PHE A 28 -8.112 -4.780 -2.717 1.00 0.51 C ATOM 424 CD1 PHE A 28 -7.842 -5.322 -1.470 1.00 0.50 C ATOM 425 CD2 PHE A 28 -8.345 -3.416 -2.818 1.00 0.58 C ATOM 426 CE1 PHE A 28 -7.805 -4.518 -0.343 1.00 0.54 C ATOM 427 CE2 PHE A 28 -8.309 -2.608 -1.696 1.00 0.62 C ATOM 428 CZ PHE A 28 -8.039 -3.162 -0.457 1.00 0.60 C ATOM 0 H PHE A 28 -6.755 -3.813 -4.824 1.00 0.45 H new ATOM 0 HA PHE A 28 -6.157 -6.436 -3.851 1.00 0.48 H new ATOM 0 HB2 PHE A 28 -8.809 -5.204 -4.681 1.00 0.53 H new ATOM 0 HB3 PHE A 28 -8.591 -6.620 -3.670 1.00 0.53 H new ATOM 0 HD1 PHE A 28 -7.659 -6.382 -1.376 1.00 0.50 H new ATOM 0 HD2 PHE A 28 -8.557 -2.980 -3.783 1.00 0.58 H new ATOM 0 HE1 PHE A 28 -7.593 -4.951 0.624 1.00 0.54 H new ATOM 0 HE2 PHE A 28 -8.491 -1.547 -1.787 1.00 0.62 H new ATOM 0 HZ PHE A 28 -8.011 -2.534 0.421 1.00 0.60 H new ATOM 438 N PHE A 29 -6.709 -6.095 -6.976 1.00 0.51 N ATOM 439 CA PHE A 29 -6.782 -6.772 -8.265 1.00 0.55 C ATOM 440 C PHE A 29 -5.423 -7.344 -8.643 1.00 0.50 C ATOM 441 O PHE A 29 -5.289 -8.042 -9.645 1.00 0.58 O ATOM 442 CB PHE A 29 -7.226 -5.798 -9.362 1.00 0.59 C ATOM 443 CG PHE A 29 -8.531 -5.108 -9.089 1.00 0.89 C ATOM 444 CD1 PHE A 29 -8.561 -3.897 -8.417 1.00 1.17 C ATOM 445 CD2 PHE A 29 -9.723 -5.662 -9.518 1.00 1.21 C ATOM 446 CE1 PHE A 29 -9.759 -3.255 -8.178 1.00 1.60 C ATOM 447 CE2 PHE A 29 -10.924 -5.022 -9.279 1.00 1.63 C ATOM 448 CZ PHE A 29 -10.942 -3.820 -8.609 1.00 1.78 C ATOM 0 H PHE A 29 -6.500 -5.099 -7.039 1.00 0.51 H new ATOM 0 HA PHE A 29 -7.510 -7.579 -8.176 1.00 0.55 H new ATOM 0 HB2 PHE A 29 -6.451 -5.043 -9.496 1.00 0.59 H new ATOM 0 HB3 PHE A 29 -7.307 -6.342 -10.303 1.00 0.59 H new ATOM 0 HD1 PHE A 29 -7.638 -3.451 -8.077 1.00 1.17 H new ATOM 0 HD2 PHE A 29 -9.715 -6.605 -10.045 1.00 1.21 H new ATOM 0 HE1 PHE A 29 -9.771 -2.311 -7.654 1.00 1.60 H new ATOM 0 HE2 PHE A 29 -11.849 -5.465 -9.618 1.00 1.63 H new ATOM 0 HZ PHE A 29 -11.880 -3.320 -8.421 1.00 1.78 H new ATOM 458 N CYS A 30 -4.416 -7.042 -7.844 1.00 0.46 N ATOM 459 CA CYS A 30 -3.076 -7.504 -8.126 1.00 0.44 C ATOM 460 C CYS A 30 -2.681 -8.650 -7.209 1.00 0.45 C ATOM 461 O CYS A 30 -2.541 -8.473 -5.996 1.00 0.44 O ATOM 462 CB CYS A 30 -2.090 -6.349 -7.975 1.00 0.41 C ATOM 463 SG CYS A 30 -0.453 -6.663 -8.673 1.00 0.48 S ATOM 0 H CYS A 30 -4.504 -6.480 -6.997 1.00 0.46 H new ATOM 0 HA CYS A 30 -3.052 -7.873 -9.152 1.00 0.44 H new ATOM 0 HB2 CYS A 30 -2.511 -5.464 -8.453 1.00 0.41 H new ATOM 0 HB3 CYS A 30 -1.981 -6.118 -6.915 1.00 0.41 H new ATOM 0 HG CYS A 30 0.154 -5.532 -8.882 1.00 0.48 H new ATOM 469 N PRO A 31 -2.498 -9.851 -7.774 1.00 0.51 N ATOM 470 CA PRO A 31 -2.091 -11.023 -7.001 1.00 0.56 C ATOM 471 C PRO A 31 -0.696 -10.822 -6.426 1.00 0.50 C ATOM 472 O PRO A 31 -0.314 -11.437 -5.431 1.00 0.50 O ATOM 473 CB PRO A 31 -2.103 -12.162 -8.024 1.00 0.67 C ATOM 474 CG PRO A 31 -2.033 -11.504 -9.358 1.00 0.70 C ATOM 475 CD PRO A 31 -2.686 -10.161 -9.203 1.00 0.58 C ATOM 0 HA PRO A 31 -2.745 -11.220 -6.151 1.00 0.56 H new ATOM 0 HB2 PRO A 31 -1.257 -12.833 -7.873 1.00 0.67 H new ATOM 0 HB3 PRO A 31 -3.007 -12.763 -7.931 1.00 0.67 H new ATOM 0 HG2 PRO A 31 -0.999 -11.397 -9.685 1.00 0.70 H new ATOM 0 HG3 PRO A 31 -2.546 -12.100 -10.113 1.00 0.70 H new ATOM 0 HD2 PRO A 31 -2.219 -9.411 -9.841 1.00 0.58 H new ATOM 0 HD3 PRO A 31 -3.742 -10.195 -9.471 1.00 0.58 H new ATOM 483 N HIS A 32 0.050 -9.924 -7.060 1.00 0.49 N ATOM 484 CA HIS A 32 1.400 -9.601 -6.631 1.00 0.48 C ATOM 485 C HIS A 32 1.362 -8.900 -5.278 1.00 0.39 C ATOM 486 O HIS A 32 2.296 -9.010 -4.481 1.00 0.42 O ATOM 487 CB HIS A 32 2.082 -8.707 -7.663 1.00 0.57 C ATOM 488 CG HIS A 32 3.578 -8.767 -7.618 1.00 0.72 C ATOM 489 ND1 HIS A 32 4.311 -8.595 -6.462 1.00 1.63 N ATOM 490 CD2 HIS A 32 4.482 -8.984 -8.600 1.00 1.25 C ATOM 491 CE1 HIS A 32 5.595 -8.706 -6.738 1.00 1.74 C ATOM 492 NE2 HIS A 32 5.726 -8.945 -8.027 1.00 1.42 N ATOM 0 H HIS A 32 -0.264 -9.404 -7.880 1.00 0.49 H new ATOM 0 HA HIS A 32 1.970 -10.526 -6.537 1.00 0.48 H new ATOM 0 HB2 HIS A 32 1.746 -8.995 -8.659 1.00 0.57 H new ATOM 0 HB3 HIS A 32 1.764 -7.677 -7.505 1.00 0.57 H new ATOM 0 HD1 HIS A 32 3.920 -8.411 -5.538 1.00 1.63 H new ATOM 0 HD2 HIS A 32 4.264 -9.156 -9.644 1.00 1.25 H new ATOM 0 HE1 HIS A 32 6.403 -8.616 -6.027 1.00 1.74 H new ATOM 0 HE2 HIS A 32 6.610 -9.079 -8.518 1.00 1.42 H new ATOM 501 N CYS A 33 0.284 -8.166 -5.035 1.00 0.37 N ATOM 502 CA CYS A 33 0.108 -7.466 -3.774 1.00 0.32 C ATOM 503 C CYS A 33 -0.383 -8.444 -2.717 1.00 0.32 C ATOM 504 O CYS A 33 0.053 -8.397 -1.571 1.00 0.29 O ATOM 505 CB CYS A 33 -0.881 -6.307 -3.925 1.00 0.34 C ATOM 506 SG CYS A 33 -0.324 -5.012 -5.059 1.00 0.36 S ATOM 0 H CYS A 33 -0.482 -8.041 -5.697 1.00 0.37 H new ATOM 0 HA CYS A 33 1.067 -7.050 -3.466 1.00 0.32 H new ATOM 0 HB2 CYS A 33 -1.835 -6.700 -4.278 1.00 0.34 H new ATOM 0 HB3 CYS A 33 -1.061 -5.865 -2.945 1.00 0.34 H new ATOM 0 HG CYS A 33 0.670 -4.366 -4.525 1.00 0.36 H new ATOM 512 N TYR A 34 -1.269 -9.350 -3.123 1.00 0.40 N ATOM 513 CA TYR A 34 -1.807 -10.358 -2.217 1.00 0.44 C ATOM 514 C TYR A 34 -0.673 -11.230 -1.682 1.00 0.41 C ATOM 515 O TYR A 34 -0.662 -11.616 -0.514 1.00 0.41 O ATOM 516 CB TYR A 34 -2.853 -11.216 -2.934 1.00 0.55 C ATOM 517 CG TYR A 34 -3.521 -12.239 -2.045 1.00 0.57 C ATOM 518 CD1 TYR A 34 -4.368 -11.844 -1.019 1.00 1.42 C ATOM 519 CD2 TYR A 34 -3.304 -13.599 -2.233 1.00 0.94 C ATOM 520 CE1 TYR A 34 -4.980 -12.774 -0.204 1.00 1.44 C ATOM 521 CE2 TYR A 34 -3.914 -14.534 -1.424 1.00 1.02 C ATOM 522 CZ TYR A 34 -4.749 -14.118 -0.410 1.00 0.73 C ATOM 523 OH TYR A 34 -5.355 -15.049 0.402 1.00 0.85 O ATOM 0 H TYR A 34 -1.629 -9.406 -4.076 1.00 0.40 H new ATOM 0 HA TYR A 34 -2.293 -9.859 -1.379 1.00 0.44 H new ATOM 0 HB2 TYR A 34 -3.616 -10.563 -3.356 1.00 0.55 H new ATOM 0 HB3 TYR A 34 -2.376 -11.730 -3.768 1.00 0.55 H new ATOM 0 HD1 TYR A 34 -4.551 -10.792 -0.856 1.00 1.42 H new ATOM 0 HD2 TYR A 34 -2.648 -13.928 -3.025 1.00 0.94 H new ATOM 0 HE1 TYR A 34 -5.636 -12.451 0.591 1.00 1.44 H new ATOM 0 HE2 TYR A 34 -3.738 -15.587 -1.584 1.00 1.02 H new ATOM 0 HH TYR A 34 -6.293 -15.153 0.137 1.00 0.85 H new ATOM 533 N GLN A 35 0.277 -11.529 -2.559 1.00 0.44 N ATOM 534 CA GLN A 35 1.444 -12.326 -2.206 1.00 0.47 C ATOM 535 C GLN A 35 2.236 -11.628 -1.102 1.00 0.37 C ATOM 536 O GLN A 35 2.649 -12.243 -0.120 1.00 0.39 O ATOM 537 CB GLN A 35 2.323 -12.522 -3.447 1.00 0.61 C ATOM 538 CG GLN A 35 3.742 -12.974 -3.137 1.00 1.02 C ATOM 539 CD GLN A 35 3.929 -14.469 -3.301 1.00 1.41 C ATOM 540 OE1 GLN A 35 3.001 -15.251 -3.100 1.00 1.89 O ATOM 541 NE2 GLN A 35 5.132 -14.874 -3.670 1.00 2.27 N ATOM 0 H GLN A 35 0.260 -11.226 -3.533 1.00 0.44 H new ATOM 0 HA GLN A 35 1.121 -13.301 -1.840 1.00 0.47 H new ATOM 0 HB2 GLN A 35 1.853 -13.258 -4.100 1.00 0.61 H new ATOM 0 HB3 GLN A 35 2.365 -11.585 -4.002 1.00 0.61 H new ATOM 0 HG2 GLN A 35 4.437 -12.451 -3.794 1.00 1.02 H new ATOM 0 HG3 GLN A 35 3.994 -12.690 -2.115 1.00 1.02 H new ATOM 0 HE21 GLN A 35 5.874 -14.192 -3.826 1.00 2.27 H new ATOM 0 HE22 GLN A 35 5.318 -15.869 -3.798 1.00 2.27 H new ATOM 550 N PHE A 36 2.411 -10.325 -1.261 1.00 0.33 N ATOM 551 CA PHE A 36 3.156 -9.519 -0.304 1.00 0.29 C ATOM 552 C PHE A 36 2.352 -9.280 0.974 1.00 0.23 C ATOM 553 O PHE A 36 2.922 -9.042 2.037 1.00 0.29 O ATOM 554 CB PHE A 36 3.528 -8.171 -0.931 1.00 0.34 C ATOM 555 CG PHE A 36 4.854 -8.168 -1.636 1.00 0.45 C ATOM 556 CD1 PHE A 36 5.186 -9.175 -2.527 1.00 0.56 C ATOM 557 CD2 PHE A 36 5.772 -7.160 -1.397 1.00 0.64 C ATOM 558 CE1 PHE A 36 6.412 -9.176 -3.165 1.00 0.77 C ATOM 559 CE2 PHE A 36 6.997 -7.153 -2.035 1.00 0.83 C ATOM 560 CZ PHE A 36 7.320 -8.164 -2.919 1.00 0.87 C ATOM 0 H PHE A 36 2.043 -9.798 -2.053 1.00 0.33 H new ATOM 0 HA PHE A 36 4.060 -10.068 -0.042 1.00 0.29 H new ATOM 0 HB2 PHE A 36 2.751 -7.885 -1.640 1.00 0.34 H new ATOM 0 HB3 PHE A 36 3.542 -7.411 -0.150 1.00 0.34 H new ATOM 0 HD1 PHE A 36 4.480 -9.968 -2.725 1.00 0.56 H new ATOM 0 HD2 PHE A 36 5.527 -6.369 -0.703 1.00 0.64 H new ATOM 0 HE1 PHE A 36 6.660 -9.968 -3.856 1.00 0.77 H new ATOM 0 HE2 PHE A 36 7.702 -6.358 -1.843 1.00 0.83 H new ATOM 0 HZ PHE A 36 8.279 -8.163 -3.416 1.00 0.87 H new ATOM 570 N GLU A 37 1.033 -9.351 0.862 1.00 0.25 N ATOM 571 CA GLU A 37 0.148 -9.113 1.997 1.00 0.36 C ATOM 572 C GLU A 37 -0.087 -10.377 2.835 1.00 0.30 C ATOM 573 O GLU A 37 0.077 -10.355 4.053 1.00 0.46 O ATOM 574 CB GLU A 37 -1.193 -8.557 1.498 1.00 0.54 C ATOM 575 CG GLU A 37 -2.014 -7.870 2.574 1.00 0.95 C ATOM 576 CD GLU A 37 -1.354 -6.611 3.105 1.00 1.33 C ATOM 577 OE1 GLU A 37 -1.423 -5.560 2.427 1.00 1.89 O1- ATOM 578 OE2 GLU A 37 -0.758 -6.669 4.201 1.00 1.87 O ATOM 0 H GLU A 37 0.549 -9.573 -0.008 1.00 0.25 H new ATOM 0 HA GLU A 37 0.637 -8.386 2.645 1.00 0.36 H new ATOM 0 HB2 GLU A 37 -1.004 -7.848 0.692 1.00 0.54 H new ATOM 0 HB3 GLU A 37 -1.778 -9.373 1.074 1.00 0.54 H new ATOM 0 HG2 GLU A 37 -2.995 -7.618 2.170 1.00 0.95 H new ATOM 0 HG3 GLU A 37 -2.177 -8.564 3.398 1.00 0.95 H new ATOM 585 N GLU A 38 -0.443 -11.484 2.191 1.00 0.30 N ATOM 586 CA GLU A 38 -0.741 -12.716 2.923 1.00 0.37 C ATOM 587 C GLU A 38 0.455 -13.668 3.033 1.00 0.34 C ATOM 588 O GLU A 38 0.656 -14.297 4.073 1.00 0.50 O ATOM 589 CB GLU A 38 -1.925 -13.437 2.268 1.00 0.55 C ATOM 590 CG GLU A 38 -2.460 -14.599 3.090 1.00 0.99 C ATOM 591 CD GLU A 38 -2.948 -14.167 4.462 1.00 1.34 C ATOM 592 OE1 GLU A 38 -2.115 -14.033 5.383 1.00 2.00 O1- ATOM 593 OE2 GLU A 38 -4.166 -13.956 4.628 1.00 1.89 O ATOM 0 H GLU A 38 -0.532 -11.557 1.178 1.00 0.30 H new ATOM 0 HA GLU A 38 -0.993 -12.419 3.941 1.00 0.37 H new ATOM 0 HB2 GLU A 38 -2.729 -12.720 2.101 1.00 0.55 H new ATOM 0 HB3 GLU A 38 -1.619 -13.806 1.289 1.00 0.55 H new ATOM 0 HG2 GLU A 38 -3.279 -15.075 2.550 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -1.677 -15.348 3.206 1.00 0.99 H new ATOM 600 N VAL A 39 1.251 -13.786 1.988 1.00 0.33 N ATOM 601 CA VAL A 39 2.381 -14.706 2.032 1.00 0.37 C ATOM 602 C VAL A 39 3.571 -14.109 2.774 1.00 0.31 C ATOM 603 O VAL A 39 4.085 -14.707 3.721 1.00 0.43 O ATOM 604 CB VAL A 39 2.818 -15.152 0.621 1.00 0.48 C ATOM 605 CG1 VAL A 39 3.942 -16.178 0.704 1.00 0.58 C ATOM 606 CG2 VAL A 39 1.628 -15.709 -0.148 1.00 0.58 C ATOM 0 H VAL A 39 1.144 -13.271 1.114 1.00 0.33 H new ATOM 0 HA VAL A 39 2.036 -15.583 2.579 1.00 0.37 H new ATOM 0 HB VAL A 39 3.197 -14.283 0.084 1.00 0.48 H new ATOM 0 HG11 VAL A 39 4.235 -16.479 -0.302 1.00 0.58 H new ATOM 0 HG12 VAL A 39 4.799 -15.739 1.215 1.00 0.58 H new ATOM 0 HG13 VAL A 39 3.597 -17.051 1.258 1.00 0.58 H new ATOM 0 HG21 VAL A 39 1.950 -16.020 -1.142 1.00 0.58 H new ATOM 0 HG22 VAL A 39 1.219 -16.567 0.386 1.00 0.58 H new ATOM 0 HG23 VAL A 39 0.861 -14.940 -0.239 1.00 0.58 H new ATOM 616 N LEU A 40 3.996 -12.924 2.365 1.00 0.24 N ATOM 617 CA LEU A 40 5.143 -12.286 2.995 1.00 0.24 C ATOM 618 C LEU A 40 4.731 -11.400 4.170 1.00 0.23 C ATOM 619 O LEU A 40 5.499 -11.233 5.114 1.00 0.27 O ATOM 620 CB LEU A 40 5.921 -11.463 1.966 1.00 0.26 C ATOM 621 CG LEU A 40 6.386 -12.235 0.727 1.00 0.31 C ATOM 622 CD1 LEU A 40 7.224 -11.342 -0.173 1.00 0.35 C ATOM 623 CD2 LEU A 40 7.167 -13.479 1.124 1.00 0.41 C ATOM 0 H LEU A 40 3.570 -12.389 1.608 1.00 0.24 H new ATOM 0 HA LEU A 40 5.782 -13.077 3.387 1.00 0.24 H new ATOM 0 HB2 LEU A 40 5.295 -10.631 1.642 1.00 0.26 H new ATOM 0 HB3 LEU A 40 6.795 -11.033 2.455 1.00 0.26 H new ATOM 0 HG LEU A 40 5.503 -12.553 0.173 1.00 0.31 H new ATOM 0 HD11 LEU A 40 7.546 -11.907 -1.048 1.00 0.35 H new ATOM 0 HD12 LEU A 40 6.629 -10.486 -0.492 1.00 0.35 H new ATOM 0 HD13 LEU A 40 8.099 -10.992 0.375 1.00 0.35 H new ATOM 0 HD21 LEU A 40 7.486 -14.010 0.227 1.00 0.41 H new ATOM 0 HD22 LEU A 40 8.043 -13.189 1.705 1.00 0.41 H new ATOM 0 HD23 LEU A 40 6.533 -14.131 1.725 1.00 0.41 H new ATOM 635 N HIS A 41 3.519 -10.845 4.114 1.00 0.20 N ATOM 636 CA HIS A 41 3.018 -9.955 5.171 1.00 0.23 C ATOM 637 C HIS A 41 3.978 -8.782 5.361 1.00 0.22 C ATOM 638 O HIS A 41 4.374 -8.449 6.480 1.00 0.28 O ATOM 639 CB HIS A 41 2.829 -10.711 6.494 1.00 0.30 C ATOM 640 CG HIS A 41 1.466 -11.309 6.654 1.00 0.42 C ATOM 641 ND1 HIS A 41 0.400 -10.628 7.199 1.00 0.82 N ATOM 642 CD2 HIS A 41 0.997 -12.534 6.338 1.00 0.62 C ATOM 643 CE1 HIS A 41 -0.664 -11.408 7.202 1.00 0.84 C ATOM 644 NE2 HIS A 41 -0.331 -12.575 6.683 1.00 0.68 N ATOM 0 H HIS A 41 2.863 -10.995 3.348 1.00 0.20 H new ATOM 0 HA HIS A 41 2.044 -9.575 4.864 1.00 0.23 H new ATOM 0 HB2 HIS A 41 3.574 -11.504 6.559 1.00 0.30 H new ATOM 0 HB3 HIS A 41 3.016 -10.028 7.323 1.00 0.30 H new ATOM 0 HD1 HIS A 41 0.429 -9.669 7.546 1.00 0.82 H new ATOM 0 HD2 HIS A 41 1.565 -13.338 5.893 1.00 0.62 H new ATOM 0 HE1 HIS A 41 -1.643 -11.137 7.568 1.00 0.84 H new ATOM 0 HE2 HIS A 41 -0.955 -13.372 6.559 1.00 0.68 H new ATOM 653 N ILE A 42 4.345 -8.163 4.248 1.00 0.23 N ATOM 654 CA ILE A 42 5.267 -7.041 4.255 1.00 0.26 C ATOM 655 C ILE A 42 4.724 -5.882 5.088 1.00 0.27 C ATOM 656 O ILE A 42 5.436 -5.338 5.930 1.00 0.31 O ATOM 657 CB ILE A 42 5.565 -6.565 2.814 1.00 0.32 C ATOM 658 CG1 ILE A 42 6.255 -7.681 2.018 1.00 0.36 C ATOM 659 CG2 ILE A 42 6.419 -5.302 2.817 1.00 0.37 C ATOM 660 CD1 ILE A 42 7.628 -8.046 2.538 1.00 0.41 C ATOM 0 H ILE A 42 4.013 -8.424 3.320 1.00 0.23 H new ATOM 0 HA ILE A 42 6.196 -7.384 4.710 1.00 0.26 H new ATOM 0 HB ILE A 42 4.617 -6.325 2.332 1.00 0.32 H new ATOM 0 HG12 ILE A 42 5.623 -8.569 2.034 1.00 0.36 H new ATOM 0 HG13 ILE A 42 6.342 -7.371 0.977 1.00 0.36 H new ATOM 0 HG21 ILE A 42 6.612 -4.991 1.790 1.00 0.37 H new ATOM 0 HG22 ILE A 42 5.891 -4.507 3.344 1.00 0.37 H new ATOM 0 HG23 ILE A 42 7.365 -5.504 3.319 1.00 0.37 H new ATOM 0 HD11 ILE A 42 8.050 -8.841 1.924 1.00 0.41 H new ATOM 0 HD12 ILE A 42 8.277 -7.171 2.496 1.00 0.41 H new ATOM 0 HD13 ILE A 42 7.547 -8.389 3.570 1.00 0.41 H new ATOM 672 N SER A 43 3.461 -5.533 4.864 1.00 0.33 N ATOM 673 CA SER A 43 2.813 -4.440 5.585 1.00 0.39 C ATOM 674 C SER A 43 2.960 -4.595 7.096 1.00 0.38 C ATOM 675 O SER A 43 3.348 -3.655 7.792 1.00 0.45 O ATOM 676 CB SER A 43 1.340 -4.399 5.201 1.00 0.50 C ATOM 677 OG SER A 43 1.164 -4.916 3.893 1.00 1.03 O ATOM 0 H SER A 43 2.860 -5.996 4.182 1.00 0.33 H new ATOM 0 HA SER A 43 3.299 -3.505 5.307 1.00 0.39 H new ATOM 0 HB2 SER A 43 0.754 -4.981 5.913 1.00 0.50 H new ATOM 0 HB3 SER A 43 0.972 -3.374 5.248 1.00 0.50 H new ATOM 0 HG SER A 43 0.754 -5.804 3.945 1.00 1.03 H new ATOM 683 N ASP A 44 2.666 -5.794 7.588 1.00 0.37 N ATOM 684 CA ASP A 44 2.764 -6.090 9.013 1.00 0.44 C ATOM 685 C ASP A 44 4.197 -5.915 9.493 1.00 0.41 C ATOM 686 O ASP A 44 4.445 -5.269 10.510 1.00 0.52 O ATOM 687 CB ASP A 44 2.302 -7.523 9.297 1.00 0.51 C ATOM 688 CG ASP A 44 0.815 -7.711 9.100 1.00 0.92 C ATOM 689 OD1 ASP A 44 0.045 -7.429 10.041 1.00 1.43 O1- ATOM 690 OD2 ASP A 44 0.413 -8.146 7.999 1.00 1.73 O ATOM 0 H ASP A 44 2.356 -6.581 7.017 1.00 0.37 H new ATOM 0 HA ASP A 44 2.118 -5.395 9.549 1.00 0.44 H new ATOM 0 HB2 ASP A 44 2.840 -8.209 8.643 1.00 0.51 H new ATOM 0 HB3 ASP A 44 2.564 -7.788 10.321 1.00 0.51 H new ATOM 695 N ASN A 45 5.135 -6.475 8.739 1.00 0.33 N ATOM 696 CA ASN A 45 6.551 -6.394 9.082 1.00 0.37 C ATOM 697 C ASN A 45 7.020 -4.944 9.123 1.00 0.39 C ATOM 698 O ASN A 45 7.777 -4.554 10.009 1.00 0.48 O ATOM 699 CB ASN A 45 7.400 -7.194 8.087 1.00 0.38 C ATOM 700 CG ASN A 45 7.471 -8.671 8.437 1.00 0.68 C ATOM 701 OD1 ASN A 45 8.295 -9.095 9.248 1.00 1.19 O ATOM 702 ND2 ASN A 45 6.608 -9.467 7.823 1.00 1.12 N ATOM 0 H ASN A 45 4.940 -6.993 7.882 1.00 0.33 H new ATOM 0 HA ASN A 45 6.677 -6.827 10.074 1.00 0.37 H new ATOM 0 HB2 ASN A 45 6.984 -7.081 7.086 1.00 0.38 H new ATOM 0 HB3 ASN A 45 8.409 -6.781 8.061 1.00 0.38 H new ATOM 0 HD21 ASN A 45 6.611 -10.469 8.016 1.00 1.12 H new ATOM 0 HD22 ASN A 45 5.940 -9.078 7.157 1.00 1.12 H new ATOM 709 N VAL A 46 6.556 -4.151 8.164 1.00 0.33 N ATOM 710 CA VAL A 46 6.919 -2.741 8.090 1.00 0.36 C ATOM 711 C VAL A 46 6.362 -1.980 9.287 1.00 0.43 C ATOM 712 O VAL A 46 7.089 -1.250 9.955 1.00 0.49 O ATOM 713 CB VAL A 46 6.405 -2.096 6.781 1.00 0.33 C ATOM 714 CG1 VAL A 46 6.645 -0.592 6.781 1.00 0.43 C ATOM 715 CG2 VAL A 46 7.074 -2.741 5.576 1.00 0.31 C ATOM 0 H VAL A 46 5.926 -4.462 7.425 1.00 0.33 H new ATOM 0 HA VAL A 46 8.007 -2.682 8.101 1.00 0.36 H new ATOM 0 HB VAL A 46 5.330 -2.266 6.718 1.00 0.33 H new ATOM 0 HG11 VAL A 46 6.274 -0.164 5.849 1.00 0.43 H new ATOM 0 HG12 VAL A 46 6.120 -0.140 7.622 1.00 0.43 H new ATOM 0 HG13 VAL A 46 7.713 -0.394 6.871 1.00 0.43 H new ATOM 0 HG21 VAL A 46 6.703 -2.277 4.662 1.00 0.31 H new ATOM 0 HG22 VAL A 46 8.153 -2.602 5.641 1.00 0.31 H new ATOM 0 HG23 VAL A 46 6.846 -3.807 5.560 1.00 0.31 H new ATOM 725 N LYS A 47 5.078 -2.178 9.566 1.00 0.46 N ATOM 726 CA LYS A 47 4.418 -1.509 10.686 1.00 0.56 C ATOM 727 C LYS A 47 5.133 -1.790 12.011 1.00 0.60 C ATOM 728 O LYS A 47 5.192 -0.935 12.894 1.00 0.70 O ATOM 729 CB LYS A 47 2.963 -1.967 10.803 1.00 0.61 C ATOM 730 CG LYS A 47 2.017 -1.317 9.811 1.00 0.70 C ATOM 731 CD LYS A 47 0.582 -1.764 10.055 1.00 0.88 C ATOM 732 CE LYS A 47 -0.403 -1.013 9.171 1.00 1.14 C ATOM 733 NZ LYS A 47 -1.820 -1.356 9.490 1.00 1.53 N1+ ATOM 0 H LYS A 47 4.470 -2.798 9.031 1.00 0.46 H new ATOM 0 HA LYS A 47 4.455 -0.438 10.486 1.00 0.56 H new ATOM 0 HB2 LYS A 47 2.924 -3.048 10.668 1.00 0.61 H new ATOM 0 HB3 LYS A 47 2.610 -1.758 11.813 1.00 0.61 H new ATOM 0 HG2 LYS A 47 2.084 -0.232 9.896 1.00 0.70 H new ATOM 0 HG3 LYS A 47 2.315 -1.576 8.795 1.00 0.70 H new ATOM 0 HD2 LYS A 47 0.498 -2.834 9.865 1.00 0.88 H new ATOM 0 HD3 LYS A 47 0.325 -1.605 11.102 1.00 0.88 H new ATOM 0 HE2 LYS A 47 -0.254 0.060 9.294 1.00 1.14 H new ATOM 0 HE3 LYS A 47 -0.201 -1.246 8.125 1.00 1.14 H new ATOM 0 HZ1 LYS A 47 -2.450 -0.626 9.100 1.00 1.53 H new ATOM 0 HZ2 LYS A 47 -2.057 -2.278 9.071 1.00 1.53 H new ATOM 0 HZ3 LYS A 47 -1.942 -1.403 10.522 1.00 1.53 H new ATOM 747 N LYS A 48 5.689 -2.989 12.133 1.00 0.55 N ATOM 748 CA LYS A 48 6.383 -3.402 13.347 1.00 0.62 C ATOM 749 C LYS A 48 7.816 -2.871 13.396 1.00 0.61 C ATOM 750 O LYS A 48 8.480 -2.966 14.429 1.00 0.77 O ATOM 751 CB LYS A 48 6.378 -4.928 13.446 1.00 0.71 C ATOM 752 CG LYS A 48 4.985 -5.513 13.570 1.00 0.83 C ATOM 753 CD LYS A 48 5.000 -7.028 13.449 1.00 0.98 C ATOM 754 CE LYS A 48 3.698 -7.639 13.942 1.00 1.52 C ATOM 755 NZ LYS A 48 3.552 -7.514 15.418 1.00 2.02 N1+ ATOM 0 H LYS A 48 5.672 -3.698 11.400 1.00 0.55 H new ATOM 0 HA LYS A 48 5.853 -2.977 14.199 1.00 0.62 H new ATOM 0 HB2 LYS A 48 6.863 -5.345 12.563 1.00 0.71 H new ATOM 0 HB3 LYS A 48 6.971 -5.232 14.309 1.00 0.71 H new ATOM 0 HG2 LYS A 48 4.555 -5.229 14.530 1.00 0.83 H new ATOM 0 HG3 LYS A 48 4.343 -5.092 12.796 1.00 0.83 H new ATOM 0 HD2 LYS A 48 5.164 -7.309 12.409 1.00 0.98 H new ATOM 0 HD3 LYS A 48 5.833 -7.432 14.024 1.00 0.98 H new ATOM 0 HE2 LYS A 48 2.858 -7.148 13.451 1.00 1.52 H new ATOM 0 HE3 LYS A 48 3.661 -8.692 13.661 1.00 1.52 H new ATOM 0 HZ1 LYS A 48 2.833 -8.187 15.754 1.00 2.02 H new ATOM 0 HZ2 LYS A 48 4.462 -7.722 15.876 1.00 2.02 H new ATOM 0 HZ3 LYS A 48 3.258 -6.545 15.657 1.00 2.02 H new ATOM 769 N LYS A 49 8.296 -2.312 12.295 1.00 0.53 N ATOM 770 CA LYS A 49 9.654 -1.784 12.257 1.00 0.54 C ATOM 771 C LYS A 49 9.662 -0.264 12.139 1.00 0.52 C ATOM 772 O LYS A 49 10.722 0.356 12.055 1.00 0.64 O ATOM 773 CB LYS A 49 10.438 -2.410 11.105 1.00 0.58 C ATOM 774 CG LYS A 49 11.060 -3.747 11.456 1.00 0.78 C ATOM 775 CD LYS A 49 11.759 -4.366 10.258 1.00 0.87 C ATOM 776 CE LYS A 49 12.483 -5.646 10.631 1.00 1.19 C ATOM 777 NZ LYS A 49 13.706 -5.373 11.426 1.00 1.44 N1+ ATOM 0 H LYS A 49 7.773 -2.212 11.425 1.00 0.53 H new ATOM 0 HA LYS A 49 10.137 -2.047 13.198 1.00 0.54 H new ATOM 0 HB2 LYS A 49 9.773 -2.540 10.251 1.00 0.58 H new ATOM 0 HB3 LYS A 49 11.224 -1.722 10.795 1.00 0.58 H new ATOM 0 HG2 LYS A 49 11.775 -3.615 12.268 1.00 0.78 H new ATOM 0 HG3 LYS A 49 10.288 -4.425 11.819 1.00 0.78 H new ATOM 0 HD2 LYS A 49 11.027 -4.576 9.478 1.00 0.87 H new ATOM 0 HD3 LYS A 49 12.471 -3.653 9.843 1.00 0.87 H new ATOM 0 HE2 LYS A 49 11.814 -6.289 11.202 1.00 1.19 H new ATOM 0 HE3 LYS A 49 12.752 -6.189 9.725 1.00 1.19 H new ATOM 0 HZ1 LYS A 49 14.547 -5.553 10.842 1.00 1.44 H new ATOM 0 HZ2 LYS A 49 13.705 -4.380 11.735 1.00 1.44 H new ATOM 0 HZ3 LYS A 49 13.724 -5.995 12.260 1.00 1.44 H new ATOM 791 N LEU A 50 8.480 0.331 12.139 1.00 0.53 N ATOM 792 CA LEU A 50 8.367 1.779 12.042 1.00 0.54 C ATOM 793 C LEU A 50 8.631 2.421 13.394 1.00 0.54 C ATOM 794 O LEU A 50 8.094 1.981 14.413 1.00 0.59 O ATOM 795 CB LEU A 50 6.986 2.193 11.527 1.00 0.60 C ATOM 796 CG LEU A 50 6.653 1.721 10.112 1.00 0.64 C ATOM 797 CD1 LEU A 50 5.327 2.299 9.653 1.00 1.00 C ATOM 798 CD2 LEU A 50 7.759 2.092 9.134 1.00 0.91 C ATOM 0 H LEU A 50 7.589 -0.162 12.205 1.00 0.53 H new ATOM 0 HA LEU A 50 9.115 2.126 11.329 1.00 0.54 H new ATOM 0 HB2 LEU A 50 6.230 1.806 12.210 1.00 0.60 H new ATOM 0 HB3 LEU A 50 6.915 3.280 11.557 1.00 0.60 H new ATOM 0 HG LEU A 50 6.571 0.634 10.134 1.00 0.64 H new ATOM 0 HD11 LEU A 50 5.108 1.951 8.643 1.00 1.00 H new ATOM 0 HD12 LEU A 50 4.535 1.974 10.328 1.00 1.00 H new ATOM 0 HD13 LEU A 50 5.384 3.388 9.657 1.00 1.00 H new ATOM 0 HD21 LEU A 50 7.494 1.743 8.136 1.00 0.91 H new ATOM 0 HD22 LEU A 50 7.883 3.175 9.119 1.00 0.91 H new ATOM 0 HD23 LEU A 50 8.693 1.624 9.446 1.00 0.91 H new ATOM 810 N PRO A 51 9.484 3.456 13.422 1.00 0.57 N ATOM 811 CA PRO A 51 9.821 4.167 14.654 1.00 0.64 C ATOM 812 C PRO A 51 8.675 5.050 15.141 1.00 0.63 C ATOM 813 O PRO A 51 7.739 5.342 14.392 1.00 0.66 O ATOM 814 CB PRO A 51 11.038 5.006 14.262 1.00 0.73 C ATOM 815 CG PRO A 51 10.931 5.199 12.791 1.00 0.74 C ATOM 816 CD PRO A 51 10.191 4.007 12.248 1.00 0.61 C ATOM 0 HA PRO A 51 10.018 3.487 15.482 1.00 0.64 H new ATOM 0 HB2 PRO A 51 11.040 5.963 14.784 1.00 0.73 H new ATOM 0 HB3 PRO A 51 11.966 4.498 14.525 1.00 0.73 H new ATOM 0 HG2 PRO A 51 10.399 6.122 12.560 1.00 0.74 H new ATOM 0 HG3 PRO A 51 11.920 5.279 12.339 1.00 0.74 H new ATOM 0 HD2 PRO A 51 9.493 4.295 11.462 1.00 0.61 H new ATOM 0 HD3 PRO A 51 10.875 3.277 11.815 1.00 0.61 H new ATOM 824 N GLU A 52 8.759 5.477 16.392 1.00 0.71 N ATOM 825 CA GLU A 52 7.727 6.309 17.001 1.00 0.76 C ATOM 826 C GLU A 52 7.569 7.641 16.270 1.00 0.75 C ATOM 827 O GLU A 52 8.427 8.520 16.353 1.00 0.82 O ATOM 828 CB GLU A 52 8.060 6.547 18.475 1.00 0.88 C ATOM 829 CG GLU A 52 8.294 5.262 19.257 1.00 1.52 C ATOM 830 CD GLU A 52 8.444 5.504 20.743 1.00 1.98 C ATOM 831 OE1 GLU A 52 7.415 5.701 21.425 1.00 2.38 O1- ATOM 832 OE2 GLU A 52 9.590 5.469 21.245 1.00 2.63 O ATOM 0 H GLU A 52 9.539 5.259 17.012 1.00 0.71 H new ATOM 0 HA GLU A 52 6.777 5.780 16.923 1.00 0.76 H new ATOM 0 HB2 GLU A 52 8.951 7.172 18.542 1.00 0.88 H new ATOM 0 HB3 GLU A 52 7.245 7.103 18.939 1.00 0.88 H new ATOM 0 HG2 GLU A 52 7.461 4.580 19.086 1.00 1.52 H new ATOM 0 HG3 GLU A 52 9.191 4.770 18.880 1.00 1.52 H new ATOM 839 N GLY A 53 6.462 7.781 15.555 1.00 0.76 N ATOM 840 CA GLY A 53 6.199 9.001 14.818 1.00 0.77 C ATOM 841 C GLY A 53 5.919 8.734 13.358 1.00 0.72 C ATOM 842 O GLY A 53 5.255 9.527 12.685 1.00 0.82 O ATOM 0 H GLY A 53 5.738 7.068 15.472 1.00 0.76 H new ATOM 0 HA2 GLY A 53 5.347 9.515 15.262 1.00 0.77 H new ATOM 0 HA3 GLY A 53 7.056 9.669 14.906 1.00 0.77 H new ATOM 846 N VAL A 54 6.413 7.613 12.866 1.00 0.69 N ATOM 847 CA VAL A 54 6.219 7.241 11.476 1.00 0.65 C ATOM 848 C VAL A 54 4.985 6.355 11.320 1.00 0.65 C ATOM 849 O VAL A 54 4.809 5.380 12.052 1.00 0.74 O ATOM 850 CB VAL A 54 7.457 6.512 10.916 1.00 0.64 C ATOM 851 CG1 VAL A 54 7.273 6.183 9.447 1.00 0.85 C ATOM 852 CG2 VAL A 54 8.702 7.362 11.108 1.00 1.03 C ATOM 0 H VAL A 54 6.954 6.941 13.411 1.00 0.69 H new ATOM 0 HA VAL A 54 6.071 8.160 10.909 1.00 0.65 H new ATOM 0 HB VAL A 54 7.577 5.578 11.465 1.00 0.64 H new ATOM 0 HG11 VAL A 54 8.160 5.669 9.075 1.00 0.85 H new ATOM 0 HG12 VAL A 54 6.402 5.539 9.325 1.00 0.85 H new ATOM 0 HG13 VAL A 54 7.125 7.104 8.884 1.00 0.85 H new ATOM 0 HG21 VAL A 54 9.568 6.835 10.708 1.00 1.03 H new ATOM 0 HG22 VAL A 54 8.580 8.310 10.583 1.00 1.03 H new ATOM 0 HG23 VAL A 54 8.852 7.552 12.171 1.00 1.03 H new ATOM 862 N LYS A 55 4.132 6.712 10.369 1.00 0.64 N ATOM 863 CA LYS A 55 2.914 5.963 10.113 1.00 0.66 C ATOM 864 C LYS A 55 2.907 5.424 8.689 1.00 0.58 C ATOM 865 O LYS A 55 3.457 6.045 7.779 1.00 0.61 O ATOM 866 CB LYS A 55 1.693 6.858 10.343 1.00 0.76 C ATOM 867 CG LYS A 55 0.360 6.150 10.129 1.00 1.35 C ATOM 868 CD LYS A 55 -0.724 7.116 9.671 1.00 1.43 C ATOM 869 CE LYS A 55 -1.306 7.904 10.833 1.00 2.21 C ATOM 870 NZ LYS A 55 -2.193 7.064 11.684 1.00 2.51 N1+ ATOM 0 H LYS A 55 4.264 7.520 9.761 1.00 0.64 H new ATOM 0 HA LYS A 55 2.873 5.119 10.802 1.00 0.66 H new ATOM 0 HB2 LYS A 55 1.727 7.248 11.360 1.00 0.76 H new ATOM 0 HB3 LYS A 55 1.751 7.714 9.671 1.00 0.76 H new ATOM 0 HG2 LYS A 55 0.482 5.361 9.386 1.00 1.35 H new ATOM 0 HG3 LYS A 55 0.050 5.669 11.057 1.00 1.35 H new ATOM 0 HD2 LYS A 55 -0.309 7.806 8.936 1.00 1.43 H new ATOM 0 HD3 LYS A 55 -1.519 6.561 9.174 1.00 1.43 H new ATOM 0 HE2 LYS A 55 -0.496 8.307 11.440 1.00 2.21 H new ATOM 0 HE3 LYS A 55 -1.870 8.754 10.449 1.00 2.21 H new ATOM 0 HZ1 LYS A 55 -2.726 7.673 12.337 1.00 2.51 H new ATOM 0 HZ2 LYS A 55 -2.857 6.539 11.080 1.00 2.51 H new ATOM 0 HZ3 LYS A 55 -1.616 6.393 12.230 1.00 2.51 H new ATOM 884 N MET A 56 2.301 4.261 8.509 1.00 0.55 N ATOM 885 CA MET A 56 2.215 3.640 7.197 1.00 0.50 C ATOM 886 C MET A 56 0.983 4.137 6.449 1.00 0.47 C ATOM 887 O MET A 56 -0.126 4.138 6.983 1.00 0.59 O ATOM 888 CB MET A 56 2.162 2.119 7.334 1.00 0.57 C ATOM 889 CG MET A 56 2.195 1.389 6.001 1.00 0.85 C ATOM 890 SD MET A 56 2.088 -0.398 6.188 1.00 1.09 S ATOM 891 CE MET A 56 3.010 -0.921 4.747 1.00 1.28 C ATOM 0 H MET A 56 1.860 3.727 9.258 1.00 0.55 H new ATOM 0 HA MET A 56 3.104 3.915 6.629 1.00 0.50 H new ATOM 0 HB2 MET A 56 3.004 1.787 7.942 1.00 0.57 H new ATOM 0 HB3 MET A 56 1.254 1.842 7.869 1.00 0.57 H new ATOM 0 HG2 MET A 56 1.369 1.736 5.380 1.00 0.85 H new ATOM 0 HG3 MET A 56 3.116 1.641 5.475 1.00 0.85 H new ATOM 0 HE1 MET A 56 2.474 -1.726 4.245 1.00 1.28 H new ATOM 0 HE2 MET A 56 3.125 -0.080 4.063 1.00 1.28 H new ATOM 0 HE3 MET A 56 3.994 -1.276 5.054 1.00 1.28 H new ATOM 901 N THR A 57 1.186 4.556 5.212 1.00 0.42 N ATOM 902 CA THR A 57 0.105 5.062 4.384 1.00 0.43 C ATOM 903 C THR A 57 -0.048 4.225 3.114 1.00 0.41 C ATOM 904 O THR A 57 0.784 4.300 2.207 1.00 0.47 O ATOM 905 CB THR A 57 0.355 6.536 4.002 1.00 0.48 C ATOM 906 OG1 THR A 57 1.408 7.080 4.818 1.00 0.60 O ATOM 907 CG2 THR A 57 -0.910 7.360 4.183 1.00 0.61 C ATOM 0 H THR A 57 2.098 4.555 4.756 1.00 0.42 H new ATOM 0 HA THR A 57 -0.815 4.994 4.964 1.00 0.43 H new ATOM 0 HB THR A 57 0.649 6.576 2.953 1.00 0.48 H new ATOM 0 HG1 THR A 57 2.262 6.673 4.564 1.00 0.60 H new ATOM 0 HG21 THR A 57 -0.712 8.396 3.908 1.00 0.61 H new ATOM 0 HG22 THR A 57 -1.699 6.960 3.546 1.00 0.61 H new ATOM 0 HG23 THR A 57 -1.227 7.315 5.225 1.00 0.61 H new ATOM 915 N LYS A 58 -1.104 3.418 3.058 1.00 0.39 N ATOM 916 CA LYS A 58 -1.361 2.567 1.901 1.00 0.39 C ATOM 917 C LYS A 58 -2.240 3.296 0.889 1.00 0.37 C ATOM 918 O LYS A 58 -3.299 3.809 1.241 1.00 0.43 O ATOM 919 CB LYS A 58 -2.054 1.272 2.333 1.00 0.47 C ATOM 920 CG LYS A 58 -1.107 0.138 2.688 1.00 0.77 C ATOM 921 CD LYS A 58 -1.862 -1.174 2.856 1.00 0.84 C ATOM 922 CE LYS A 58 -0.975 -2.273 3.423 1.00 0.86 C ATOM 923 NZ LYS A 58 -0.295 -3.062 2.360 1.00 0.70 N1+ ATOM 0 H LYS A 58 -1.797 3.336 3.802 1.00 0.39 H new ATOM 0 HA LYS A 58 -0.404 2.325 1.439 1.00 0.39 H new ATOM 0 HB2 LYS A 58 -2.686 1.484 3.195 1.00 0.47 H new ATOM 0 HB3 LYS A 58 -2.711 0.941 1.529 1.00 0.47 H new ATOM 0 HG2 LYS A 58 -0.354 0.031 1.907 1.00 0.77 H new ATOM 0 HG3 LYS A 58 -0.578 0.377 3.610 1.00 0.77 H new ATOM 0 HD2 LYS A 58 -2.715 -1.019 3.517 1.00 0.84 H new ATOM 0 HD3 LYS A 58 -2.259 -1.490 1.891 1.00 0.84 H new ATOM 0 HE2 LYS A 58 -0.225 -1.829 4.077 1.00 0.86 H new ATOM 0 HE3 LYS A 58 -1.578 -2.941 4.037 1.00 0.86 H new ATOM 0 HZ1 LYS A 58 0.632 -3.383 2.705 1.00 0.70 H new ATOM 0 HZ2 LYS A 58 -0.878 -3.887 2.114 1.00 0.70 H new ATOM 0 HZ3 LYS A 58 -0.163 -2.467 1.517 1.00 0.70 H new ATOM 937 N TYR A 59 -1.795 3.345 -0.356 1.00 0.36 N ATOM 938 CA TYR A 59 -2.543 3.996 -1.422 1.00 0.39 C ATOM 939 C TYR A 59 -2.927 2.973 -2.486 1.00 0.37 C ATOM 940 O TYR A 59 -2.161 2.053 -2.776 1.00 0.36 O ATOM 941 CB TYR A 59 -1.710 5.119 -2.054 1.00 0.45 C ATOM 942 CG TYR A 59 -1.797 6.452 -1.333 1.00 0.48 C ATOM 943 CD1 TYR A 59 -2.381 6.565 -0.074 1.00 0.56 C ATOM 944 CD2 TYR A 59 -1.289 7.607 -1.920 1.00 0.52 C ATOM 945 CE1 TYR A 59 -2.455 7.784 0.572 1.00 0.62 C ATOM 946 CE2 TYR A 59 -1.361 8.828 -1.276 1.00 0.60 C ATOM 947 CZ TYR A 59 -1.945 8.910 -0.031 1.00 0.62 C ATOM 948 OH TYR A 59 -2.016 10.122 0.617 1.00 0.71 O ATOM 0 H TYR A 59 -0.910 2.937 -0.656 1.00 0.36 H new ATOM 0 HA TYR A 59 -3.448 4.430 -0.998 1.00 0.39 H new ATOM 0 HB2 TYR A 59 -0.667 4.806 -2.086 1.00 0.45 H new ATOM 0 HB3 TYR A 59 -2.033 5.257 -3.086 1.00 0.45 H new ATOM 0 HD1 TYR A 59 -2.783 5.685 0.406 1.00 0.56 H new ATOM 0 HD2 TYR A 59 -0.830 7.548 -2.896 1.00 0.52 H new ATOM 0 HE1 TYR A 59 -2.912 7.853 1.548 1.00 0.62 H new ATOM 0 HE2 TYR A 59 -0.961 9.714 -1.747 1.00 0.60 H new ATOM 0 HH TYR A 59 -1.610 10.817 0.057 1.00 0.71 H new ATOM 958 N HIS A 60 -4.108 3.128 -3.063 1.00 0.39 N ATOM 959 CA HIS A 60 -4.586 2.207 -4.086 1.00 0.40 C ATOM 960 C HIS A 60 -4.243 2.718 -5.487 1.00 0.42 C ATOM 961 O HIS A 60 -4.464 3.885 -5.801 1.00 0.46 O ATOM 962 CB HIS A 60 -6.101 2.019 -3.956 1.00 0.44 C ATOM 963 CG HIS A 60 -6.656 0.950 -4.848 1.00 0.46 C ATOM 964 ND1 HIS A 60 -7.476 1.210 -5.920 1.00 0.49 N ATOM 965 CD2 HIS A 60 -6.475 -0.386 -4.837 1.00 0.54 C ATOM 966 CE1 HIS A 60 -7.776 0.082 -6.527 1.00 0.51 C ATOM 967 NE2 HIS A 60 -7.179 -0.911 -5.897 1.00 0.57 N ATOM 0 H HIS A 60 -4.756 3.884 -2.841 1.00 0.39 H new ATOM 0 HA HIS A 60 -4.089 1.248 -3.940 1.00 0.40 H new ATOM 0 HB2 HIS A 60 -6.340 1.776 -2.921 1.00 0.44 H new ATOM 0 HB3 HIS A 60 -6.596 2.963 -4.184 1.00 0.44 H new ATOM 0 HD1 HIS A 60 -7.802 2.135 -6.201 1.00 0.49 H new ATOM 0 HD2 HIS A 60 -5.884 -0.944 -4.125 1.00 0.54 H new ATOM 0 HE1 HIS A 60 -8.407 -0.015 -7.398 1.00 0.51 H new ATOM 976 N VAL A 61 -3.690 1.841 -6.320 1.00 0.44 N ATOM 977 CA VAL A 61 -3.339 2.213 -7.685 1.00 0.48 C ATOM 978 C VAL A 61 -4.598 2.275 -8.550 1.00 0.49 C ATOM 979 O VAL A 61 -5.566 1.553 -8.296 1.00 0.51 O ATOM 980 CB VAL A 61 -2.315 1.231 -8.302 1.00 0.52 C ATOM 981 CG1 VAL A 61 -1.141 1.017 -7.358 1.00 0.68 C ATOM 982 CG2 VAL A 61 -2.971 -0.094 -8.656 1.00 0.55 C ATOM 0 H VAL A 61 -3.477 0.874 -6.075 1.00 0.44 H new ATOM 0 HA VAL A 61 -2.872 3.198 -7.652 1.00 0.48 H new ATOM 0 HB VAL A 61 -1.938 1.674 -9.224 1.00 0.52 H new ATOM 0 HG11 VAL A 61 -0.432 0.323 -7.810 1.00 0.68 H new ATOM 0 HG12 VAL A 61 -0.647 1.970 -7.170 1.00 0.68 H new ATOM 0 HG13 VAL A 61 -1.502 0.604 -6.416 1.00 0.68 H new ATOM 0 HG21 VAL A 61 -2.228 -0.764 -9.088 1.00 0.55 H new ATOM 0 HG22 VAL A 61 -3.388 -0.546 -7.756 1.00 0.55 H new ATOM 0 HG23 VAL A 61 -3.769 0.077 -9.379 1.00 0.55 H new ATOM 992 N ASN A 62 -4.590 3.129 -9.562 1.00 0.54 N ATOM 993 CA ASN A 62 -5.755 3.287 -10.421 1.00 0.57 C ATOM 994 C ASN A 62 -5.584 2.601 -11.773 1.00 0.58 C ATOM 995 O ASN A 62 -6.551 2.445 -12.522 1.00 0.76 O ATOM 996 CB ASN A 62 -6.040 4.773 -10.625 1.00 0.67 C ATOM 997 CG ASN A 62 -7.395 5.175 -10.076 1.00 0.69 C ATOM 998 OD1 ASN A 62 -8.009 4.437 -9.309 1.00 0.77 O ATOM 999 ND2 ASN A 62 -7.869 6.351 -10.456 1.00 0.93 N ATOM 0 H ASN A 62 -3.796 3.720 -9.808 1.00 0.54 H new ATOM 0 HA ASN A 62 -6.596 2.806 -9.923 1.00 0.57 H new ATOM 0 HB2 ASN A 62 -5.263 5.361 -10.137 1.00 0.67 H new ATOM 0 HB3 ASN A 62 -5.996 5.007 -11.689 1.00 0.67 H new ATOM 0 HD21 ASN A 62 -8.773 6.672 -10.110 1.00 0.93 H new ATOM 0 HD22 ASN A 62 -7.330 6.936 -11.094 1.00 0.93 H new ATOM 1006 N PHE A 63 -4.369 2.164 -12.080 1.00 0.54 N ATOM 1007 CA PHE A 63 -4.101 1.510 -13.363 1.00 0.55 C ATOM 1008 C PHE A 63 -4.315 0.000 -13.292 1.00 0.54 C ATOM 1009 O PHE A 63 -3.810 -0.741 -14.135 1.00 0.62 O ATOM 1010 CB PHE A 63 -2.682 1.820 -13.858 1.00 0.57 C ATOM 1011 CG PHE A 63 -1.593 1.569 -12.848 1.00 0.57 C ATOM 1012 CD1 PHE A 63 -1.216 2.561 -11.963 1.00 0.65 C ATOM 1013 CD2 PHE A 63 -0.947 0.343 -12.796 1.00 0.62 C ATOM 1014 CE1 PHE A 63 -0.212 2.340 -11.040 1.00 0.74 C ATOM 1015 CE2 PHE A 63 0.058 0.114 -11.876 1.00 0.70 C ATOM 1016 CZ PHE A 63 0.427 1.113 -10.997 1.00 0.74 C ATOM 0 H PHE A 63 -3.558 2.247 -11.467 1.00 0.54 H new ATOM 0 HA PHE A 63 -4.817 1.916 -14.077 1.00 0.55 H new ATOM 0 HB2 PHE A 63 -2.482 1.218 -14.745 1.00 0.57 H new ATOM 0 HB3 PHE A 63 -2.640 2.865 -14.166 1.00 0.57 H new ATOM 0 HD1 PHE A 63 -1.712 3.520 -11.993 1.00 0.65 H new ATOM 0 HD2 PHE A 63 -1.232 -0.441 -13.482 1.00 0.62 H new ATOM 0 HE1 PHE A 63 0.074 3.123 -10.353 1.00 0.74 H new ATOM 0 HE2 PHE A 63 0.554 -0.845 -11.844 1.00 0.70 H new ATOM 0 HZ PHE A 63 1.213 0.937 -10.277 1.00 0.74 H new ATOM 1026 N MET A 64 -5.069 -0.456 -12.300 1.00 0.52 N ATOM 1027 CA MET A 64 -5.351 -1.877 -12.145 1.00 0.53 C ATOM 1028 C MET A 64 -6.796 -2.088 -11.710 1.00 0.55 C ATOM 1029 O MET A 64 -7.278 -1.424 -10.792 1.00 0.60 O ATOM 1030 CB MET A 64 -4.405 -2.526 -11.130 1.00 0.57 C ATOM 1031 CG MET A 64 -3.054 -2.916 -11.713 1.00 0.64 C ATOM 1032 SD MET A 64 -2.296 -4.308 -10.849 1.00 1.06 S ATOM 1033 CE MET A 64 -3.301 -5.667 -11.446 1.00 1.09 C ATOM 0 H MET A 64 -5.497 0.138 -11.590 1.00 0.52 H new ATOM 0 HA MET A 64 -5.193 -2.352 -13.113 1.00 0.53 H new ATOM 0 HB2 MET A 64 -4.247 -1.836 -10.301 1.00 0.57 H new ATOM 0 HB3 MET A 64 -4.883 -3.415 -10.718 1.00 0.57 H new ATOM 0 HG2 MET A 64 -3.177 -3.171 -12.766 1.00 0.64 H new ATOM 0 HG3 MET A 64 -2.383 -2.058 -11.669 1.00 0.64 H new ATOM 0 HE1 MET A 64 -2.797 -6.611 -11.239 1.00 1.09 H new ATOM 0 HE2 MET A 64 -4.267 -5.654 -10.942 1.00 1.09 H new ATOM 0 HE3 MET A 64 -3.451 -5.564 -12.521 1.00 1.09 H new ATOM 1043 N GLY A 65 -7.475 -3.016 -12.366 1.00 0.59 N ATOM 1044 CA GLY A 65 -8.860 -3.293 -12.038 1.00 0.64 C ATOM 1045 C GLY A 65 -9.816 -2.615 -12.992 1.00 0.66 C ATOM 1046 O GLY A 65 -11.034 -2.685 -12.820 1.00 0.78 O ATOM 0 H GLY A 65 -7.092 -3.584 -13.122 1.00 0.59 H new ATOM 0 HA2 GLY A 65 -9.029 -4.370 -12.060 1.00 0.64 H new ATOM 0 HA3 GLY A 65 -9.065 -2.959 -11.021 1.00 0.64 H new ATOM 1050 N GLY A 66 -9.258 -1.950 -13.999 1.00 0.65 N ATOM 1051 CA GLY A 66 -10.077 -1.271 -14.980 1.00 0.71 C ATOM 1052 C GLY A 66 -10.865 -0.126 -14.379 1.00 0.75 C ATOM 1053 O GLY A 66 -10.307 0.724 -13.677 1.00 0.81 O ATOM 0 H GLY A 66 -8.253 -1.871 -14.151 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -9.442 -0.891 -15.780 1.00 0.71 H new ATOM 0 HA3 GLY A 66 -10.766 -1.985 -15.432 1.00 0.71 H new ATOM 1057 N ASP A 67 -12.161 -0.111 -14.643 1.00 0.84 N ATOM 1058 CA ASP A 67 -13.038 0.929 -14.131 1.00 0.96 C ATOM 1059 C ASP A 67 -13.352 0.695 -12.657 1.00 0.91 C ATOM 1060 O ASP A 67 -13.460 1.642 -11.878 1.00 0.93 O ATOM 1061 CB ASP A 67 -14.331 0.984 -14.951 1.00 1.19 C ATOM 1062 CG ASP A 67 -15.148 -0.293 -14.865 1.00 1.83 C ATOM 1063 OD1 ASP A 67 -14.801 -1.271 -15.560 1.00 2.47 O1- ATOM 1064 OD2 ASP A 67 -16.136 -0.325 -14.101 1.00 2.46 O ATOM 0 H ASP A 67 -12.632 -0.813 -15.214 1.00 0.84 H new ATOM 0 HA ASP A 67 -12.525 1.886 -14.222 1.00 0.96 H new ATOM 0 HB2 ASP A 67 -14.938 1.820 -14.604 1.00 1.19 H new ATOM 0 HB3 ASP A 67 -14.084 1.180 -15.994 1.00 1.19 H new ATOM 1069 N LEU A 68 -13.469 -0.576 -12.281 1.00 0.89 N ATOM 1070 CA LEU A 68 -13.768 -0.945 -10.902 1.00 0.89 C ATOM 1071 C LEU A 68 -12.602 -0.591 -9.990 1.00 0.79 C ATOM 1072 O LEU A 68 -12.767 -0.424 -8.780 1.00 0.82 O ATOM 1073 CB LEU A 68 -14.091 -2.434 -10.801 1.00 0.96 C ATOM 1074 CG LEU A 68 -14.675 -2.879 -9.457 1.00 1.18 C ATOM 1075 CD1 LEU A 68 -16.060 -2.294 -9.258 1.00 1.94 C ATOM 1076 CD2 LEU A 68 -14.726 -4.391 -9.374 1.00 1.07 C ATOM 0 H LEU A 68 -13.361 -1.368 -12.914 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.643 -0.381 -10.579 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -14.797 -2.692 -11.590 1.00 0.96 H new ATOM 0 HB3 LEU A 68 -13.180 -3.002 -10.990 1.00 0.96 H new ATOM 0 HG LEU A 68 -14.026 -2.510 -8.663 1.00 1.18 H new ATOM 0 HD11 LEU A 68 -16.459 -2.621 -8.298 1.00 1.94 H new ATOM 0 HD12 LEU A 68 -16.001 -1.206 -9.275 1.00 1.94 H new ATOM 0 HD13 LEU A 68 -16.717 -2.634 -10.058 1.00 1.94 H new ATOM 0 HD21 LEU A 68 -15.144 -4.689 -8.412 1.00 1.07 H new ATOM 0 HD22 LEU A 68 -15.353 -4.779 -10.177 1.00 1.07 H new ATOM 0 HD23 LEU A 68 -13.718 -4.795 -9.473 1.00 1.07 H new ATOM 1088 N GLY A 69 -11.422 -0.466 -10.584 1.00 0.70 N ATOM 1089 CA GLY A 69 -10.246 -0.111 -9.822 1.00 0.65 C ATOM 1090 C GLY A 69 -10.394 1.254 -9.183 1.00 0.64 C ATOM 1091 O GLY A 69 -9.936 1.480 -8.066 1.00 0.63 O ATOM 0 H GLY A 69 -11.261 -0.605 -11.582 1.00 0.70 H new ATOM 0 HA2 GLY A 69 -10.072 -0.859 -9.049 1.00 0.65 H new ATOM 0 HA3 GLY A 69 -9.373 -0.117 -10.474 1.00 0.65 H new ATOM 1095 N LYS A 70 -11.077 2.149 -9.884 1.00 0.68 N ATOM 1096 CA LYS A 70 -11.298 3.501 -9.392 1.00 0.71 C ATOM 1097 C LYS A 70 -12.262 3.490 -8.214 1.00 0.73 C ATOM 1098 O LYS A 70 -12.095 4.239 -7.249 1.00 0.74 O ATOM 1099 CB LYS A 70 -11.848 4.394 -10.508 1.00 0.79 C ATOM 1100 CG LYS A 70 -10.781 4.904 -11.465 1.00 0.89 C ATOM 1101 CD LYS A 70 -10.313 3.819 -12.431 1.00 1.35 C ATOM 1102 CE LYS A 70 -9.173 4.315 -13.312 1.00 1.83 C ATOM 1103 NZ LYS A 70 -8.675 3.257 -14.239 1.00 2.69 N1+ ATOM 0 H LYS A 70 -11.489 1.962 -10.798 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.341 3.903 -9.059 1.00 0.71 H new ATOM 0 HB2 LYS A 70 -12.594 3.836 -11.074 1.00 0.79 H new ATOM 0 HB3 LYS A 70 -12.359 5.246 -10.061 1.00 0.79 H new ATOM 0 HG2 LYS A 70 -11.175 5.748 -12.031 1.00 0.89 H new ATOM 0 HG3 LYS A 70 -9.929 5.273 -10.894 1.00 0.89 H new ATOM 0 HD2 LYS A 70 -9.986 2.945 -11.868 1.00 1.35 H new ATOM 0 HD3 LYS A 70 -11.147 3.502 -13.057 1.00 1.35 H new ATOM 0 HE2 LYS A 70 -9.512 5.174 -13.892 1.00 1.83 H new ATOM 0 HE3 LYS A 70 -8.353 4.659 -12.682 1.00 1.83 H new ATOM 0 HZ1 LYS A 70 -8.552 3.659 -15.190 1.00 2.69 H new ATOM 0 HZ2 LYS A 70 -7.763 2.895 -13.895 1.00 2.69 H new ATOM 0 HZ3 LYS A 70 -9.363 2.478 -14.279 1.00 2.69 H new ATOM 1117 N ASP A 71 -13.260 2.622 -8.294 1.00 0.76 N ATOM 1118 CA ASP A 71 -14.260 2.501 -7.240 1.00 0.81 C ATOM 1119 C ASP A 71 -13.614 2.050 -5.934 1.00 0.75 C ATOM 1120 O ASP A 71 -13.931 2.566 -4.861 1.00 0.77 O ATOM 1121 CB ASP A 71 -15.361 1.513 -7.642 1.00 0.88 C ATOM 1122 CG ASP A 71 -16.171 1.975 -8.842 1.00 1.06 C ATOM 1123 OD1 ASP A 71 -16.564 3.162 -8.886 1.00 1.65 O1- ATOM 1124 OD2 ASP A 71 -16.419 1.152 -9.751 1.00 1.58 O ATOM 0 H ASP A 71 -13.400 1.988 -9.081 1.00 0.76 H new ATOM 0 HA ASP A 71 -14.708 3.483 -7.092 1.00 0.81 H new ATOM 0 HB2 ASP A 71 -14.909 0.547 -7.867 1.00 0.88 H new ATOM 0 HB3 ASP A 71 -16.031 1.362 -6.796 1.00 0.88 H new ATOM 1129 N LEU A 72 -12.691 1.094 -6.030 1.00 0.70 N ATOM 1130 CA LEU A 72 -12.003 0.586 -4.847 1.00 0.67 C ATOM 1131 C LEU A 72 -11.036 1.626 -4.281 1.00 0.61 C ATOM 1132 O LEU A 72 -10.709 1.593 -3.097 1.00 0.60 O ATOM 1133 CB LEU A 72 -11.273 -0.730 -5.156 1.00 0.66 C ATOM 1134 CG LEU A 72 -11.965 -1.984 -4.606 1.00 0.95 C ATOM 1135 CD1 LEU A 72 -11.307 -3.242 -5.144 1.00 1.05 C ATOM 1136 CD2 LEU A 72 -11.951 -1.983 -3.083 1.00 1.17 C ATOM 0 H LEU A 72 -12.405 0.660 -6.907 1.00 0.70 H new ATOM 0 HA LEU A 72 -12.757 0.382 -4.087 1.00 0.67 H new ATOM 0 HB2 LEU A 72 -11.172 -0.830 -6.237 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -10.265 -0.677 -4.745 1.00 0.66 H new ATOM 0 HG LEU A 72 -13.003 -1.972 -4.939 1.00 0.95 H new ATOM 0 HD11 LEU A 72 -11.814 -4.119 -4.741 1.00 1.05 H new ATOM 0 HD12 LEU A 72 -11.375 -3.252 -6.232 1.00 1.05 H new ATOM 0 HD13 LEU A 72 -10.259 -3.260 -4.846 1.00 1.05 H new ATOM 0 HD21 LEU A 72 -12.447 -2.881 -2.714 1.00 1.17 H new ATOM 0 HD22 LEU A 72 -10.920 -1.966 -2.729 1.00 1.17 H new ATOM 0 HD23 LEU A 72 -12.476 -1.101 -2.715 1.00 1.17 H new ATOM 1148 N THR A 73 -10.575 2.545 -5.127 1.00 0.60 N ATOM 1149 CA THR A 73 -9.670 3.599 -4.682 1.00 0.57 C ATOM 1150 C THR A 73 -10.399 4.540 -3.724 1.00 0.62 C ATOM 1151 O THR A 73 -9.830 5.011 -2.737 1.00 0.62 O ATOM 1152 CB THR A 73 -9.107 4.402 -5.879 1.00 0.57 C ATOM 1153 OG1 THR A 73 -8.467 3.511 -6.796 1.00 0.56 O ATOM 1154 CG2 THR A 73 -8.106 5.454 -5.425 1.00 0.56 C ATOM 0 H THR A 73 -10.812 2.580 -6.118 1.00 0.60 H new ATOM 0 HA THR A 73 -8.833 3.129 -4.167 1.00 0.57 H new ATOM 0 HB THR A 73 -9.941 4.909 -6.363 1.00 0.57 H new ATOM 0 HG1 THR A 73 -8.344 3.961 -7.658 1.00 0.56 H new ATOM 0 HG21 THR A 73 -7.732 5.998 -6.292 1.00 0.56 H new ATOM 0 HG22 THR A 73 -8.594 6.150 -4.743 1.00 0.56 H new ATOM 0 HG23 THR A 73 -7.274 4.968 -4.915 1.00 0.56 H new ATOM 1162 N GLN A 74 -11.671 4.782 -4.011 1.00 0.67 N ATOM 1163 CA GLN A 74 -12.493 5.647 -3.182 1.00 0.73 C ATOM 1164 C GLN A 74 -12.903 4.914 -1.911 1.00 0.72 C ATOM 1165 O GLN A 74 -12.889 5.485 -0.822 1.00 0.74 O ATOM 1166 CB GLN A 74 -13.728 6.091 -3.966 1.00 0.81 C ATOM 1167 CG GLN A 74 -14.485 7.245 -3.331 1.00 0.90 C ATOM 1168 CD GLN A 74 -15.501 7.849 -4.279 1.00 1.06 C ATOM 1169 OE1 GLN A 74 -15.313 7.839 -5.497 1.00 1.14 O ATOM 1170 NE2 GLN A 74 -16.582 8.379 -3.735 1.00 1.21 N ATOM 0 H GLN A 74 -12.156 4.388 -4.817 1.00 0.67 H new ATOM 0 HA GLN A 74 -11.919 6.530 -2.902 1.00 0.73 H new ATOM 0 HB2 GLN A 74 -13.422 6.381 -4.971 1.00 0.81 H new ATOM 0 HB3 GLN A 74 -14.403 5.242 -4.071 1.00 0.81 H new ATOM 0 HG2 GLN A 74 -14.992 6.895 -2.432 1.00 0.90 H new ATOM 0 HG3 GLN A 74 -13.778 8.014 -3.019 1.00 0.90 H new ATOM 0 HE21 GLN A 74 -16.701 8.368 -2.722 1.00 1.21 H new ATOM 0 HE22 GLN A 74 -17.298 8.799 -4.328 1.00 1.21 H new ATOM 1179 N ALA A 75 -13.248 3.638 -2.060 1.00 0.71 N ATOM 1180 CA ALA A 75 -13.656 2.810 -0.927 1.00 0.70 C ATOM 1181 C ALA A 75 -12.525 2.677 0.089 1.00 0.64 C ATOM 1182 O ALA A 75 -12.753 2.737 1.300 1.00 0.65 O ATOM 1183 CB ALA A 75 -14.101 1.432 -1.404 1.00 0.71 C ATOM 0 H ALA A 75 -13.253 3.153 -2.957 1.00 0.71 H new ATOM 0 HA ALA A 75 -14.498 3.301 -0.439 1.00 0.70 H new ATOM 0 HB1 ALA A 75 -14.401 0.830 -0.547 1.00 0.71 H new ATOM 0 HB2 ALA A 75 -14.945 1.538 -2.086 1.00 0.71 H new ATOM 0 HB3 ALA A 75 -13.276 0.942 -1.921 1.00 0.71 H new ATOM 1189 N TRP A 76 -11.308 2.514 -0.415 1.00 0.59 N ATOM 1190 CA TRP A 76 -10.130 2.372 0.432 1.00 0.54 C ATOM 1191 C TRP A 76 -9.921 3.620 1.289 1.00 0.56 C ATOM 1192 O TRP A 76 -9.525 3.529 2.454 1.00 0.55 O ATOM 1193 CB TRP A 76 -8.893 2.108 -0.426 1.00 0.50 C ATOM 1194 CG TRP A 76 -7.637 1.979 0.375 1.00 0.46 C ATOM 1195 CD1 TRP A 76 -6.581 2.838 0.380 1.00 0.46 C ATOM 1196 CD2 TRP A 76 -7.312 0.935 1.299 1.00 0.45 C ATOM 1197 NE1 TRP A 76 -5.617 2.394 1.251 1.00 0.44 N ATOM 1198 CE2 TRP A 76 -6.043 1.226 1.826 1.00 0.44 C ATOM 1199 CE3 TRP A 76 -7.972 -0.218 1.727 1.00 0.46 C ATOM 1200 CZ2 TRP A 76 -5.419 0.405 2.761 1.00 0.44 C ATOM 1201 CZ3 TRP A 76 -7.353 -1.034 2.654 1.00 0.47 C ATOM 1202 CH2 TRP A 76 -6.086 -0.718 3.164 1.00 0.46 C ATOM 0 H TRP A 76 -11.110 2.477 -1.415 1.00 0.59 H new ATOM 0 HA TRP A 76 -10.288 1.524 1.098 1.00 0.54 H new ATOM 0 HB2 TRP A 76 -9.045 1.194 -1.000 1.00 0.50 H new ATOM 0 HB3 TRP A 76 -8.777 2.920 -1.144 1.00 0.50 H new ATOM 0 HD1 TRP A 76 -6.512 3.737 -0.214 1.00 0.46 H new ATOM 0 HE1 TRP A 76 -4.728 2.858 1.439 1.00 0.44 H new ATOM 0 HE3 TRP A 76 -8.949 -0.468 1.340 1.00 0.46 H new ATOM 0 HZ2 TRP A 76 -4.443 0.647 3.154 1.00 0.44 H new ATOM 0 HZ3 TRP A 76 -7.853 -1.930 2.991 1.00 0.47 H new ATOM 0 HH2 TRP A 76 -5.628 -1.374 3.889 1.00 0.46 H new ATOM 1213 N ALA A 77 -10.199 4.786 0.707 1.00 0.61 N ATOM 1214 CA ALA A 77 -10.049 6.049 1.416 1.00 0.65 C ATOM 1215 C ALA A 77 -10.962 6.085 2.637 1.00 0.69 C ATOM 1216 O ALA A 77 -10.599 6.623 3.686 1.00 0.71 O ATOM 1217 CB ALA A 77 -10.342 7.216 0.488 1.00 0.70 C ATOM 0 H ALA A 77 -10.529 4.879 -0.254 1.00 0.61 H new ATOM 0 HA ALA A 77 -9.018 6.136 1.758 1.00 0.65 H new ATOM 0 HB1 ALA A 77 -10.225 8.153 1.033 1.00 0.70 H new ATOM 0 HB2 ALA A 77 -9.648 7.196 -0.352 1.00 0.70 H new ATOM 0 HB3 ALA A 77 -11.364 7.137 0.116 1.00 0.70 H new ATOM 1223 N VAL A 78 -12.141 5.487 2.496 1.00 0.71 N ATOM 1224 CA VAL A 78 -13.108 5.433 3.581 1.00 0.75 C ATOM 1225 C VAL A 78 -12.595 4.527 4.697 1.00 0.71 C ATOM 1226 O VAL A 78 -12.663 4.871 5.881 1.00 0.75 O ATOM 1227 CB VAL A 78 -14.478 4.912 3.095 1.00 0.78 C ATOM 1228 CG1 VAL A 78 -15.503 4.958 4.215 1.00 0.83 C ATOM 1229 CG2 VAL A 78 -14.968 5.704 1.891 1.00 0.84 C ATOM 0 H VAL A 78 -12.448 5.032 1.636 1.00 0.71 H new ATOM 0 HA VAL A 78 -13.237 6.448 3.955 1.00 0.75 H new ATOM 0 HB VAL A 78 -14.350 3.874 2.790 1.00 0.78 H new ATOM 0 HG11 VAL A 78 -16.460 4.586 3.848 1.00 0.83 H new ATOM 0 HG12 VAL A 78 -15.165 4.335 5.043 1.00 0.83 H new ATOM 0 HG13 VAL A 78 -15.621 5.986 4.558 1.00 0.83 H new ATOM 0 HG21 VAL A 78 -15.935 5.316 1.569 1.00 0.84 H new ATOM 0 HG22 VAL A 78 -15.071 6.754 2.164 1.00 0.84 H new ATOM 0 HG23 VAL A 78 -14.250 5.609 1.077 1.00 0.84 H new ATOM 1239 N ALA A 79 -12.060 3.375 4.304 1.00 0.66 N ATOM 1240 CA ALA A 79 -11.533 2.399 5.253 1.00 0.63 C ATOM 1241 C ALA A 79 -10.407 2.989 6.103 1.00 0.63 C ATOM 1242 O ALA A 79 -10.318 2.720 7.304 1.00 0.66 O ATOM 1243 CB ALA A 79 -11.041 1.165 4.517 1.00 0.59 C ATOM 0 H ALA A 79 -11.980 3.093 3.327 1.00 0.66 H new ATOM 0 HA ALA A 79 -12.344 2.118 5.925 1.00 0.63 H new ATOM 0 HB1 ALA A 79 -10.650 0.444 5.236 1.00 0.59 H new ATOM 0 HB2 ALA A 79 -11.868 0.716 3.966 1.00 0.59 H new ATOM 0 HB3 ALA A 79 -10.252 1.447 3.821 1.00 0.59 H new ATOM 1249 N MET A 80 -9.553 3.788 5.476 1.00 0.63 N ATOM 1250 CA MET A 80 -8.440 4.410 6.182 1.00 0.66 C ATOM 1251 C MET A 80 -8.939 5.434 7.194 1.00 0.73 C ATOM 1252 O MET A 80 -8.442 5.497 8.315 1.00 0.79 O ATOM 1253 CB MET A 80 -7.473 5.074 5.198 1.00 0.65 C ATOM 1254 CG MET A 80 -6.471 4.114 4.583 1.00 1.08 C ATOM 1255 SD MET A 80 -5.033 4.961 3.893 1.00 1.04 S ATOM 1256 CE MET A 80 -5.754 5.771 2.465 1.00 1.02 C ATOM 0 H MET A 80 -9.609 4.020 4.484 1.00 0.63 H new ATOM 0 HA MET A 80 -7.908 3.624 6.718 1.00 0.66 H new ATOM 0 HB2 MET A 80 -8.047 5.545 4.401 1.00 0.65 H new ATOM 0 HB3 MET A 80 -6.933 5.868 5.714 1.00 0.65 H new ATOM 0 HG2 MET A 80 -6.141 3.404 5.341 1.00 1.08 H new ATOM 0 HG3 MET A 80 -6.960 3.537 3.798 1.00 1.08 H new ATOM 0 HE1 MET A 80 -5.006 5.852 1.676 1.00 1.02 H new ATOM 0 HE2 MET A 80 -6.600 5.187 2.104 1.00 1.02 H new ATOM 0 HE3 MET A 80 -6.095 6.768 2.745 1.00 1.02 H new ATOM 1266 N ALA A 81 -9.940 6.215 6.803 1.00 0.76 N ATOM 1267 CA ALA A 81 -10.504 7.230 7.683 1.00 0.84 C ATOM 1268 C ALA A 81 -11.255 6.592 8.848 1.00 0.87 C ATOM 1269 O ALA A 81 -11.280 7.132 9.950 1.00 0.99 O ATOM 1270 CB ALA A 81 -11.420 8.164 6.909 1.00 0.89 C ATOM 0 H ALA A 81 -10.377 6.164 5.883 1.00 0.76 H new ATOM 0 HA ALA A 81 -9.679 7.814 8.091 1.00 0.84 H new ATOM 0 HB1 ALA A 81 -11.830 8.914 7.585 1.00 0.89 H new ATOM 0 HB2 ALA A 81 -10.853 8.658 6.120 1.00 0.89 H new ATOM 0 HB3 ALA A 81 -12.234 7.591 6.466 1.00 0.89 H new ATOM 1276 N LEU A 82 -11.866 5.438 8.597 1.00 0.80 N ATOM 1277 CA LEU A 82 -12.610 4.727 9.629 1.00 0.82 C ATOM 1278 C LEU A 82 -11.673 3.862 10.474 1.00 0.81 C ATOM 1279 O LEU A 82 -12.095 3.255 11.460 1.00 0.88 O ATOM 1280 CB LEU A 82 -13.705 3.854 9.007 1.00 0.82 C ATOM 1281 CG LEU A 82 -14.901 4.606 8.417 1.00 0.87 C ATOM 1282 CD1 LEU A 82 -15.838 3.642 7.708 1.00 0.90 C ATOM 1283 CD2 LEU A 82 -15.645 5.377 9.502 1.00 0.97 C ATOM 0 H LEU A 82 -11.860 4.976 7.688 1.00 0.80 H new ATOM 0 HA LEU A 82 -13.079 5.470 10.274 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -13.257 3.248 8.220 1.00 0.82 H new ATOM 0 HB3 LEU A 82 -14.072 3.166 9.769 1.00 0.82 H new ATOM 0 HG LEU A 82 -14.527 5.324 7.687 1.00 0.87 H new ATOM 0 HD11 LEU A 82 -16.683 4.193 7.295 1.00 0.90 H new ATOM 0 HD12 LEU A 82 -15.302 3.141 6.902 1.00 0.90 H new ATOM 0 HD13 LEU A 82 -16.202 2.900 8.418 1.00 0.90 H new ATOM 0 HD21 LEU A 82 -16.491 5.903 9.059 1.00 0.97 H new ATOM 0 HD22 LEU A 82 -16.007 4.682 10.260 1.00 0.97 H new ATOM 0 HD23 LEU A 82 -14.970 6.098 9.964 1.00 0.97 H new ATOM 1295 N GLY A 83 -10.402 3.813 10.080 1.00 0.75 N ATOM 1296 CA GLY A 83 -9.423 3.026 10.806 1.00 0.74 C ATOM 1297 C GLY A 83 -9.735 1.540 10.774 1.00 0.72 C ATOM 1298 O GLY A 83 -9.598 0.843 11.781 1.00 0.78 O ATOM 0 H GLY A 83 -10.033 4.307 9.267 1.00 0.75 H new ATOM 0 HA2 GLY A 83 -8.435 3.196 10.378 1.00 0.74 H new ATOM 0 HA3 GLY A 83 -9.385 3.364 11.842 1.00 0.74 H new ATOM 1302 N VAL A 84 -10.170 1.059 9.621 1.00 0.67 N ATOM 1303 CA VAL A 84 -10.508 -0.351 9.462 1.00 0.65 C ATOM 1304 C VAL A 84 -9.869 -0.919 8.209 1.00 0.59 C ATOM 1305 O VAL A 84 -10.402 -1.841 7.590 1.00 0.60 O ATOM 1306 CB VAL A 84 -12.033 -0.570 9.390 1.00 0.71 C ATOM 1307 CG1 VAL A 84 -12.664 -0.374 10.758 1.00 0.81 C ATOM 1308 CG2 VAL A 84 -12.666 0.361 8.364 1.00 0.73 C ATOM 0 H VAL A 84 -10.298 1.622 8.780 1.00 0.67 H new ATOM 0 HA VAL A 84 -10.122 -0.869 10.340 1.00 0.65 H new ATOM 0 HB VAL A 84 -12.217 -1.596 9.072 1.00 0.71 H new ATOM 0 HG11 VAL A 84 -13.740 -0.532 10.688 1.00 0.81 H new ATOM 0 HG12 VAL A 84 -12.237 -1.089 11.461 1.00 0.81 H new ATOM 0 HG13 VAL A 84 -12.468 0.640 11.107 1.00 0.81 H new ATOM 0 HG21 VAL A 84 -13.742 0.188 8.331 1.00 0.73 H new ATOM 0 HG22 VAL A 84 -12.473 1.396 8.644 1.00 0.73 H new ATOM 0 HG23 VAL A 84 -12.237 0.165 7.381 1.00 0.73 H new ATOM 1318 N GLU A 85 -8.715 -0.375 7.853 1.00 0.58 N ATOM 1319 CA GLU A 85 -7.992 -0.819 6.667 1.00 0.55 C ATOM 1320 C GLU A 85 -7.620 -2.298 6.780 1.00 0.53 C ATOM 1321 O GLU A 85 -7.958 -3.100 5.908 1.00 0.56 O ATOM 1322 CB GLU A 85 -6.733 0.031 6.421 1.00 0.63 C ATOM 1323 CG GLU A 85 -6.286 0.886 7.603 1.00 0.81 C ATOM 1324 CD GLU A 85 -5.620 0.080 8.707 1.00 1.11 C ATOM 1325 OE1 GLU A 85 -6.347 -0.549 9.501 1.00 1.71 O ATOM 1326 OE2 GLU A 85 -4.367 0.083 8.786 1.00 1.67 O1- ATOM 0 H GLU A 85 -8.257 0.376 8.369 1.00 0.58 H new ATOM 0 HA GLU A 85 -8.656 -0.689 5.813 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -5.914 -0.633 6.143 1.00 0.63 H new ATOM 0 HB3 GLU A 85 -6.916 0.685 5.569 1.00 0.63 H new ATOM 0 HG2 GLU A 85 -5.592 1.649 7.250 1.00 0.81 H new ATOM 0 HG3 GLU A 85 -7.151 1.407 8.014 1.00 0.81 H new ATOM 1333 N ASP A 86 -6.952 -2.650 7.874 1.00 0.57 N ATOM 1334 CA ASP A 86 -6.523 -4.026 8.130 1.00 0.62 C ATOM 1335 C ASP A 86 -7.725 -4.972 8.204 1.00 0.64 C ATOM 1336 O ASP A 86 -7.649 -6.138 7.800 1.00 0.87 O ATOM 1337 CB ASP A 86 -5.710 -4.075 9.437 1.00 0.74 C ATOM 1338 CG ASP A 86 -5.762 -5.423 10.135 1.00 1.12 C ATOM 1339 OD1 ASP A 86 -5.206 -6.403 9.597 1.00 1.75 O1- ATOM 1340 OD2 ASP A 86 -6.341 -5.501 11.244 1.00 1.91 O ATOM 0 H ASP A 86 -6.692 -1.992 8.609 1.00 0.57 H new ATOM 0 HA ASP A 86 -5.894 -4.358 7.304 1.00 0.62 H new ATOM 0 HB2 ASP A 86 -4.671 -3.828 9.218 1.00 0.74 H new ATOM 0 HB3 ASP A 86 -6.083 -3.309 10.116 1.00 0.74 H new ATOM 1345 N LYS A 87 -8.850 -4.443 8.660 1.00 0.59 N ATOM 1346 CA LYS A 87 -10.064 -5.235 8.813 1.00 0.63 C ATOM 1347 C LYS A 87 -10.723 -5.550 7.467 1.00 0.60 C ATOM 1348 O LYS A 87 -11.436 -6.544 7.346 1.00 0.67 O ATOM 1349 CB LYS A 87 -11.055 -4.510 9.732 1.00 0.70 C ATOM 1350 CG LYS A 87 -10.487 -4.156 11.099 1.00 0.79 C ATOM 1351 CD LYS A 87 -9.810 -5.354 11.748 1.00 1.48 C ATOM 1352 CE LYS A 87 -9.087 -4.962 13.027 1.00 1.85 C ATOM 1353 NZ LYS A 87 -7.975 -5.894 13.345 1.00 2.28 N1+ ATOM 0 H LYS A 87 -8.949 -3.465 8.932 1.00 0.59 H new ATOM 0 HA LYS A 87 -9.778 -6.185 9.264 1.00 0.63 H new ATOM 0 HB2 LYS A 87 -11.388 -3.596 9.241 1.00 0.70 H new ATOM 0 HB3 LYS A 87 -11.935 -5.138 9.867 1.00 0.70 H new ATOM 0 HG2 LYS A 87 -9.769 -3.342 10.996 1.00 0.79 H new ATOM 0 HG3 LYS A 87 -11.288 -3.795 11.745 1.00 0.79 H new ATOM 0 HD2 LYS A 87 -10.555 -6.118 11.970 1.00 1.48 H new ATOM 0 HD3 LYS A 87 -9.100 -5.795 11.048 1.00 1.48 H new ATOM 0 HE2 LYS A 87 -8.694 -3.950 12.926 1.00 1.85 H new ATOM 0 HE3 LYS A 87 -9.796 -4.948 13.855 1.00 1.85 H new ATOM 0 HZ1 LYS A 87 -7.574 -5.652 14.274 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -8.335 -6.869 13.367 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -7.236 -5.814 12.618 1.00 2.28 H new ATOM 1367 N VAL A 88 -10.473 -4.724 6.452 1.00 0.56 N ATOM 1368 CA VAL A 88 -11.075 -4.950 5.136 1.00 0.55 C ATOM 1369 C VAL A 88 -10.050 -5.421 4.104 1.00 0.50 C ATOM 1370 O VAL A 88 -10.420 -5.827 3.010 1.00 0.50 O ATOM 1371 CB VAL A 88 -11.798 -3.690 4.593 1.00 0.58 C ATOM 1372 CG1 VAL A 88 -12.982 -3.320 5.477 1.00 0.65 C ATOM 1373 CG2 VAL A 88 -10.838 -2.518 4.470 1.00 0.56 C ATOM 0 H VAL A 88 -9.868 -3.905 6.511 1.00 0.56 H new ATOM 0 HA VAL A 88 -11.812 -5.739 5.288 1.00 0.55 H new ATOM 0 HB VAL A 88 -12.174 -3.926 3.597 1.00 0.58 H new ATOM 0 HG11 VAL A 88 -13.473 -2.433 5.076 1.00 0.65 H new ATOM 0 HG12 VAL A 88 -13.691 -4.148 5.501 1.00 0.65 H new ATOM 0 HG13 VAL A 88 -12.631 -3.114 6.488 1.00 0.65 H new ATOM 0 HG21 VAL A 88 -11.372 -1.649 4.087 1.00 0.56 H new ATOM 0 HG22 VAL A 88 -10.421 -2.285 5.450 1.00 0.56 H new ATOM 0 HG23 VAL A 88 -10.031 -2.779 3.785 1.00 0.56 H new ATOM 1383 N THR A 89 -8.772 -5.399 4.465 1.00 0.48 N ATOM 1384 CA THR A 89 -7.706 -5.801 3.546 1.00 0.44 C ATOM 1385 C THR A 89 -7.901 -7.221 2.990 1.00 0.43 C ATOM 1386 O THR A 89 -8.136 -7.397 1.792 1.00 0.44 O ATOM 1387 CB THR A 89 -6.322 -5.698 4.221 1.00 0.45 C ATOM 1388 OG1 THR A 89 -6.065 -4.341 4.606 1.00 0.98 O ATOM 1389 CG2 THR A 89 -5.214 -6.179 3.287 1.00 0.79 C ATOM 0 H THR A 89 -8.446 -5.108 5.386 1.00 0.48 H new ATOM 0 HA THR A 89 -7.756 -5.107 2.707 1.00 0.44 H new ATOM 0 HB THR A 89 -6.331 -6.337 5.104 1.00 0.45 H new ATOM 0 HG1 THR A 89 -6.760 -4.040 5.228 1.00 0.98 H new ATOM 0 HG21 THR A 89 -4.251 -6.094 3.791 1.00 0.79 H new ATOM 0 HG22 THR A 89 -5.392 -7.220 3.017 1.00 0.79 H new ATOM 0 HG23 THR A 89 -5.207 -5.567 2.385 1.00 0.79 H new ATOM 1397 N VAL A 90 -7.833 -8.223 3.862 1.00 0.46 N ATOM 1398 CA VAL A 90 -7.960 -9.620 3.436 1.00 0.49 C ATOM 1399 C VAL A 90 -9.310 -9.923 2.763 1.00 0.50 C ATOM 1400 O VAL A 90 -9.322 -10.456 1.652 1.00 0.52 O ATOM 1401 CB VAL A 90 -7.729 -10.611 4.598 1.00 0.54 C ATOM 1402 CG1 VAL A 90 -7.387 -11.990 4.060 1.00 0.62 C ATOM 1403 CG2 VAL A 90 -6.630 -10.113 5.523 1.00 0.57 C ATOM 0 H VAL A 90 -7.691 -8.098 4.864 1.00 0.46 H new ATOM 0 HA VAL A 90 -7.174 -9.760 2.694 1.00 0.49 H new ATOM 0 HB VAL A 90 -8.652 -10.682 5.174 1.00 0.54 H new ATOM 0 HG11 VAL A 90 -7.227 -12.676 4.892 1.00 0.62 H new ATOM 0 HG12 VAL A 90 -8.208 -12.354 3.442 1.00 0.62 H new ATOM 0 HG13 VAL A 90 -6.480 -11.931 3.459 1.00 0.62 H new ATOM 0 HG21 VAL A 90 -6.485 -10.827 6.334 1.00 0.57 H new ATOM 0 HG22 VAL A 90 -5.702 -10.008 4.962 1.00 0.57 H new ATOM 0 HG23 VAL A 90 -6.914 -9.146 5.938 1.00 0.57 H new ATOM 1413 N PRO A 91 -10.458 -9.611 3.406 1.00 0.53 N ATOM 1414 CA PRO A 91 -11.783 -9.873 2.817 1.00 0.57 C ATOM 1415 C PRO A 91 -11.952 -9.280 1.415 1.00 0.57 C ATOM 1416 O PRO A 91 -12.566 -9.899 0.547 1.00 0.61 O ATOM 1417 CB PRO A 91 -12.763 -9.210 3.793 1.00 0.60 C ATOM 1418 CG PRO A 91 -11.932 -8.371 4.702 1.00 0.58 C ATOM 1419 CD PRO A 91 -10.580 -9.014 4.747 1.00 0.54 C ATOM 0 HA PRO A 91 -11.944 -10.943 2.687 1.00 0.57 H new ATOM 0 HB2 PRO A 91 -13.494 -8.602 3.260 1.00 0.60 H new ATOM 0 HB3 PRO A 91 -13.321 -9.959 4.355 1.00 0.60 H new ATOM 0 HG2 PRO A 91 -11.864 -7.348 4.333 1.00 0.58 H new ATOM 0 HG3 PRO A 91 -12.373 -8.322 5.698 1.00 0.58 H new ATOM 0 HD2 PRO A 91 -9.792 -8.286 4.939 1.00 0.54 H new ATOM 0 HD3 PRO A 91 -10.516 -9.767 5.532 1.00 0.54 H new ATOM 1427 N LEU A 92 -11.411 -8.085 1.198 1.00 0.54 N ATOM 1428 CA LEU A 92 -11.506 -7.440 -0.109 1.00 0.55 C ATOM 1429 C LEU A 92 -10.645 -8.185 -1.123 1.00 0.54 C ATOM 1430 O LEU A 92 -11.057 -8.393 -2.262 1.00 0.59 O ATOM 1431 CB LEU A 92 -11.080 -5.973 -0.036 1.00 0.54 C ATOM 1432 CG LEU A 92 -12.088 -5.031 0.628 1.00 0.61 C ATOM 1433 CD1 LEU A 92 -11.513 -3.628 0.743 1.00 0.60 C ATOM 1434 CD2 LEU A 92 -13.394 -5.004 -0.150 1.00 0.79 C ATOM 0 H LEU A 92 -10.907 -7.547 1.903 1.00 0.54 H new ATOM 0 HA LEU A 92 -12.548 -7.473 -0.427 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -10.138 -5.912 0.508 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -10.887 -5.617 -1.048 1.00 0.54 H new ATOM 0 HG LEU A 92 -12.293 -5.406 1.631 1.00 0.61 H new ATOM 0 HD11 LEU A 92 -12.244 -2.973 1.217 1.00 0.60 H new ATOM 0 HD12 LEU A 92 -10.605 -3.655 1.346 1.00 0.60 H new ATOM 0 HD13 LEU A 92 -11.277 -3.249 -0.251 1.00 0.60 H new ATOM 0 HD21 LEU A 92 -14.095 -4.328 0.340 1.00 0.79 H new ATOM 0 HD22 LEU A 92 -13.205 -4.657 -1.166 1.00 0.79 H new ATOM 0 HD23 LEU A 92 -13.819 -6.007 -0.182 1.00 0.79 H new ATOM 1446 N PHE A 93 -9.456 -8.596 -0.690 1.00 0.48 N ATOM 1447 CA PHE A 93 -8.535 -9.337 -1.545 1.00 0.48 C ATOM 1448 C PHE A 93 -9.176 -10.640 -2.007 1.00 0.54 C ATOM 1449 O PHE A 93 -9.226 -10.941 -3.204 1.00 0.58 O ATOM 1450 CB PHE A 93 -7.237 -9.643 -0.794 1.00 0.44 C ATOM 1451 CG PHE A 93 -6.125 -8.668 -1.071 1.00 0.41 C ATOM 1452 CD1 PHE A 93 -5.608 -8.532 -2.349 1.00 0.44 C ATOM 1453 CD2 PHE A 93 -5.594 -7.894 -0.053 1.00 0.42 C ATOM 1454 CE1 PHE A 93 -4.578 -7.644 -2.608 1.00 0.44 C ATOM 1455 CE2 PHE A 93 -4.565 -7.003 -0.303 1.00 0.43 C ATOM 1456 CZ PHE A 93 -4.056 -6.878 -1.583 1.00 0.41 C ATOM 0 H PHE A 93 -9.107 -8.427 0.253 1.00 0.48 H new ATOM 0 HA PHE A 93 -8.306 -8.722 -2.415 1.00 0.48 H new ATOM 0 HB2 PHE A 93 -7.442 -9.650 0.277 1.00 0.44 H new ATOM 0 HB3 PHE A 93 -6.902 -10.645 -1.061 1.00 0.44 H new ATOM 0 HD1 PHE A 93 -6.014 -9.127 -3.154 1.00 0.44 H new ATOM 0 HD2 PHE A 93 -5.988 -7.987 0.948 1.00 0.42 H new ATOM 0 HE1 PHE A 93 -4.183 -7.550 -3.609 1.00 0.44 H new ATOM 0 HE2 PHE A 93 -4.160 -6.406 0.501 1.00 0.43 H new ATOM 0 HZ PHE A 93 -3.253 -6.184 -1.781 1.00 0.41 H new ATOM 1466 N GLU A 94 -9.679 -11.402 -1.046 1.00 0.55 N ATOM 1467 CA GLU A 94 -10.326 -12.673 -1.332 1.00 0.62 C ATOM 1468 C GLU A 94 -11.575 -12.456 -2.177 1.00 0.66 C ATOM 1469 O GLU A 94 -11.856 -13.223 -3.091 1.00 0.72 O ATOM 1470 CB GLU A 94 -10.700 -13.389 -0.030 1.00 0.66 C ATOM 1471 CG GLU A 94 -9.512 -13.682 0.875 1.00 0.66 C ATOM 1472 CD GLU A 94 -8.811 -14.981 0.530 1.00 0.93 C ATOM 1473 OE1 GLU A 94 -7.891 -14.967 -0.313 1.00 1.46 O1- ATOM 1474 OE2 GLU A 94 -9.174 -16.030 1.105 1.00 1.70 O ATOM 0 H GLU A 94 -9.651 -11.159 -0.056 1.00 0.55 H new ATOM 0 HA GLU A 94 -9.625 -13.295 -1.889 1.00 0.62 H new ATOM 0 HB2 GLU A 94 -11.418 -12.778 0.516 1.00 0.66 H new ATOM 0 HB3 GLU A 94 -11.199 -14.327 -0.273 1.00 0.66 H new ATOM 0 HG2 GLU A 94 -8.798 -12.861 0.806 1.00 0.66 H new ATOM 0 HG3 GLU A 94 -9.852 -13.723 1.910 1.00 0.66 H new ATOM 1481 N GLY A 95 -12.300 -11.379 -1.896 1.00 0.66 N ATOM 1482 CA GLY A 95 -13.518 -11.083 -2.628 1.00 0.71 C ATOM 1483 C GLY A 95 -13.275 -10.610 -4.052 1.00 0.73 C ATOM 1484 O GLY A 95 -14.221 -10.472 -4.828 1.00 0.82 O ATOM 0 H GLY A 95 -12.064 -10.702 -1.170 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -14.143 -11.976 -2.653 1.00 0.71 H new ATOM 0 HA3 GLY A 95 -14.077 -10.317 -2.091 1.00 0.71 H new ATOM 1488 N VAL A 96 -12.022 -10.363 -4.405 1.00 0.66 N ATOM 1489 CA VAL A 96 -11.696 -9.901 -5.749 1.00 0.67 C ATOM 1490 C VAL A 96 -10.913 -10.948 -6.547 1.00 0.69 C ATOM 1491 O VAL A 96 -11.153 -11.132 -7.739 1.00 0.75 O ATOM 1492 CB VAL A 96 -10.895 -8.577 -5.702 1.00 0.63 C ATOM 1493 CG1 VAL A 96 -10.341 -8.216 -7.069 1.00 0.67 C ATOM 1494 CG2 VAL A 96 -11.768 -7.449 -5.185 1.00 0.65 C ATOM 0 H VAL A 96 -11.219 -10.473 -3.786 1.00 0.66 H new ATOM 0 HA VAL A 96 -12.645 -9.730 -6.257 1.00 0.67 H new ATOM 0 HB VAL A 96 -10.056 -8.722 -5.022 1.00 0.63 H new ATOM 0 HG11 VAL A 96 -9.784 -7.281 -7.001 1.00 0.67 H new ATOM 0 HG12 VAL A 96 -9.678 -9.009 -7.414 1.00 0.67 H new ATOM 0 HG13 VAL A 96 -11.163 -8.098 -7.775 1.00 0.67 H new ATOM 0 HG21 VAL A 96 -11.190 -6.525 -5.158 1.00 0.65 H new ATOM 0 HG22 VAL A 96 -12.626 -7.321 -5.845 1.00 0.65 H new ATOM 0 HG23 VAL A 96 -12.116 -7.689 -4.180 1.00 0.65 H new ATOM 1504 N GLN A 97 -9.986 -11.639 -5.896 1.00 0.66 N ATOM 1505 CA GLN A 97 -9.165 -12.636 -6.585 1.00 0.68 C ATOM 1506 C GLN A 97 -9.675 -14.058 -6.380 1.00 0.75 C ATOM 1507 O GLN A 97 -9.812 -14.819 -7.339 1.00 0.84 O ATOM 1508 CB GLN A 97 -7.715 -12.542 -6.118 1.00 0.63 C ATOM 1509 CG GLN A 97 -7.072 -11.202 -6.415 1.00 0.62 C ATOM 1510 CD GLN A 97 -5.633 -11.129 -5.955 1.00 0.59 C ATOM 1511 OE1 GLN A 97 -4.919 -12.132 -5.936 1.00 0.66 O ATOM 1512 NE2 GLN A 97 -5.204 -9.938 -5.574 1.00 0.55 N ATOM 0 H GLN A 97 -9.782 -11.532 -4.902 1.00 0.66 H new ATOM 0 HA GLN A 97 -9.229 -12.414 -7.650 1.00 0.68 H new ATOM 0 HB2 GLN A 97 -7.674 -12.726 -5.044 1.00 0.63 H new ATOM 0 HB3 GLN A 97 -7.135 -13.330 -6.599 1.00 0.63 H new ATOM 0 HG2 GLN A 97 -7.116 -11.012 -7.487 1.00 0.62 H new ATOM 0 HG3 GLN A 97 -7.645 -10.413 -5.928 1.00 0.62 H new ATOM 0 HE21 GLN A 97 -5.832 -9.135 -5.607 1.00 0.55 H new ATOM 0 HE22 GLN A 97 -4.245 -9.822 -5.247 1.00 0.55 H new ATOM 1521 N LYS A 98 -9.956 -14.402 -5.134 1.00 0.74 N ATOM 1522 CA LYS A 98 -10.417 -15.740 -4.785 1.00 0.81 C ATOM 1523 C LYS A 98 -11.874 -15.953 -5.200 1.00 0.88 C ATOM 1524 O LYS A 98 -12.164 -16.651 -6.176 1.00 1.03 O ATOM 1525 CB LYS A 98 -10.265 -15.955 -3.276 1.00 0.76 C ATOM 1526 CG LYS A 98 -10.551 -17.372 -2.813 1.00 0.88 C ATOM 1527 CD LYS A 98 -10.993 -17.393 -1.360 1.00 1.03 C ATOM 1528 CE LYS A 98 -10.405 -18.574 -0.607 1.00 1.34 C ATOM 1529 NZ LYS A 98 -8.985 -18.340 -0.239 1.00 1.41 N1+ ATOM 0 H LYS A 98 -9.873 -13.768 -4.339 1.00 0.74 H new ATOM 0 HA LYS A 98 -9.807 -16.465 -5.324 1.00 0.81 H new ATOM 0 HB2 LYS A 98 -9.249 -15.688 -2.984 1.00 0.76 H new ATOM 0 HB3 LYS A 98 -10.936 -15.273 -2.755 1.00 0.76 H new ATOM 0 HG2 LYS A 98 -11.327 -17.813 -3.439 1.00 0.88 H new ATOM 0 HG3 LYS A 98 -9.658 -17.985 -2.934 1.00 0.88 H new ATOM 0 HD2 LYS A 98 -10.690 -16.465 -0.875 1.00 1.03 H new ATOM 0 HD3 LYS A 98 -12.081 -17.437 -1.312 1.00 1.03 H new ATOM 0 HE2 LYS A 98 -10.989 -18.758 0.295 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -10.478 -19.471 -1.222 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -8.613 -19.174 0.258 1.00 1.41 H new ATOM 0 HZ2 LYS A 98 -8.426 -18.173 -1.100 1.00 1.41 H new ATOM 0 HZ3 LYS A 98 -8.920 -17.509 0.383 1.00 1.41 H new ATOM 1543 N THR A 99 -12.781 -15.333 -4.460 1.00 0.82 N ATOM 1544 CA THR A 99 -14.207 -15.456 -4.713 1.00 0.94 C ATOM 1545 C THR A 99 -14.636 -14.651 -5.933 1.00 0.98 C ATOM 1546 O THR A 99 -15.490 -15.088 -6.701 1.00 1.08 O ATOM 1547 CB THR A 99 -15.008 -14.987 -3.491 1.00 0.96 C ATOM 1548 OG1 THR A 99 -14.206 -15.120 -2.311 1.00 0.95 O ATOM 1549 CG2 THR A 99 -16.281 -15.795 -3.333 1.00 1.31 C ATOM 0 H THR A 99 -12.549 -14.732 -3.669 1.00 0.82 H new ATOM 0 HA THR A 99 -14.410 -16.509 -4.907 1.00 0.94 H new ATOM 0 HB THR A 99 -15.280 -13.942 -3.638 1.00 0.96 H new ATOM 0 HG1 THR A 99 -14.718 -14.819 -1.532 1.00 0.95 H new ATOM 0 HG21 THR A 99 -16.830 -15.442 -2.460 1.00 1.31 H new ATOM 0 HG22 THR A 99 -16.900 -15.677 -4.223 1.00 1.31 H new ATOM 0 HG23 THR A 99 -16.030 -16.848 -3.203 1.00 1.31 H new ATOM 1557 N GLN A 100 -14.037 -13.474 -6.098 1.00 0.90 N ATOM 1558 CA GLN A 100 -14.344 -12.589 -7.221 1.00 0.94 C ATOM 1559 C GLN A 100 -15.802 -12.134 -7.171 1.00 1.01 C ATOM 1560 O GLN A 100 -16.404 -11.822 -8.198 1.00 1.10 O ATOM 1561 CB GLN A 100 -14.060 -13.281 -8.558 1.00 1.01 C ATOM 1562 CG GLN A 100 -12.618 -13.726 -8.719 1.00 0.99 C ATOM 1563 CD GLN A 100 -12.470 -14.862 -9.707 1.00 1.15 C ATOM 1564 OE1 GLN A 100 -13.233 -14.970 -10.665 1.00 1.41 O ATOM 1565 NE2 GLN A 100 -11.492 -15.723 -9.476 1.00 1.44 N ATOM 0 H GLN A 100 -13.329 -13.108 -5.462 1.00 0.90 H new ATOM 0 HA GLN A 100 -13.700 -11.714 -7.138 1.00 0.94 H new ATOM 0 HB2 GLN A 100 -14.712 -14.149 -8.654 1.00 1.01 H new ATOM 0 HB3 GLN A 100 -14.314 -12.601 -9.371 1.00 1.01 H new ATOM 0 HG2 GLN A 100 -12.015 -12.880 -9.049 1.00 0.99 H new ATOM 0 HG3 GLN A 100 -12.227 -14.038 -7.750 1.00 0.99 H new ATOM 0 HE21 GLN A 100 -10.881 -15.596 -8.669 1.00 1.44 H new ATOM 0 HE22 GLN A 100 -11.349 -16.513 -10.105 1.00 1.44 H new ATOM 1574 N THR A 101 -16.352 -12.082 -5.962 1.00 1.00 N ATOM 1575 CA THR A 101 -17.732 -11.674 -5.754 1.00 1.08 C ATOM 1576 C THR A 101 -17.912 -10.188 -6.043 1.00 1.03 C ATOM 1577 O THR A 101 -18.985 -9.748 -6.457 1.00 1.12 O ATOM 1578 CB THR A 101 -18.168 -11.964 -4.306 1.00 1.14 C ATOM 1579 OG1 THR A 101 -17.069 -12.517 -3.570 1.00 1.20 O ATOM 1580 CG2 THR A 101 -19.341 -12.931 -4.273 1.00 1.57 C ATOM 0 H THR A 101 -15.854 -12.321 -5.104 1.00 1.00 H new ATOM 0 HA THR A 101 -18.353 -12.247 -6.443 1.00 1.08 H new ATOM 0 HB THR A 101 -18.482 -11.025 -3.849 1.00 1.14 H new ATOM 0 HG1 THR A 101 -17.350 -12.698 -2.649 1.00 1.20 H new ATOM 0 HG21 THR A 101 -19.629 -13.119 -3.239 1.00 1.57 H new ATOM 0 HG22 THR A 101 -20.184 -12.499 -4.812 1.00 1.57 H new ATOM 0 HG23 THR A 101 -19.052 -13.870 -4.745 1.00 1.57 H new ATOM 1588 N ILE A 102 -16.849 -9.425 -5.838 1.00 0.91 N ATOM 1589 CA ILE A 102 -16.878 -7.991 -6.067 1.00 0.88 C ATOM 1590 C ILE A 102 -16.693 -7.675 -7.547 1.00 0.87 C ATOM 1591 O ILE A 102 -15.593 -7.793 -8.096 1.00 0.83 O ATOM 1592 CB ILE A 102 -15.787 -7.275 -5.244 1.00 0.83 C ATOM 1593 CG1 ILE A 102 -16.012 -7.518 -3.747 1.00 0.86 C ATOM 1594 CG2 ILE A 102 -15.761 -5.782 -5.557 1.00 0.84 C ATOM 1595 CD1 ILE A 102 -14.851 -7.083 -2.875 1.00 0.79 C ATOM 0 H ILE A 102 -15.950 -9.780 -5.511 1.00 0.91 H new ATOM 0 HA ILE A 102 -17.854 -7.628 -5.745 1.00 0.88 H new ATOM 0 HB ILE A 102 -14.817 -7.688 -5.520 1.00 0.83 H new ATOM 0 HG12 ILE A 102 -16.910 -6.985 -3.433 1.00 0.86 H new ATOM 0 HG13 ILE A 102 -16.198 -8.580 -3.585 1.00 0.86 H new ATOM 0 HG21 ILE A 102 -14.984 -5.299 -4.964 1.00 0.84 H new ATOM 0 HG22 ILE A 102 -15.552 -5.636 -6.617 1.00 0.84 H new ATOM 0 HG23 ILE A 102 -16.728 -5.342 -5.314 1.00 0.84 H new ATOM 0 HD11 ILE A 102 -15.085 -7.287 -1.830 1.00 0.79 H new ATOM 0 HD12 ILE A 102 -13.955 -7.634 -3.161 1.00 0.79 H new ATOM 0 HD13 ILE A 102 -14.677 -6.015 -3.006 1.00 0.79 H new ATOM 1607 N ARG A 103 -17.785 -7.296 -8.195 1.00 0.93 N ATOM 1608 CA ARG A 103 -17.755 -6.951 -9.609 1.00 0.95 C ATOM 1609 C ARG A 103 -18.254 -5.528 -9.827 1.00 0.96 C ATOM 1610 O ARG A 103 -18.089 -4.959 -10.907 1.00 0.99 O ATOM 1611 CB ARG A 103 -18.594 -7.934 -10.432 1.00 1.07 C ATOM 1612 CG ARG A 103 -18.148 -9.386 -10.313 1.00 1.12 C ATOM 1613 CD ARG A 103 -16.661 -9.552 -10.607 1.00 1.44 C ATOM 1614 NE ARG A 103 -16.272 -8.952 -11.886 1.00 1.88 N ATOM 1615 CZ ARG A 103 -15.325 -8.018 -12.015 1.00 2.52 C ATOM 1616 NH1 ARG A 103 -14.692 -7.550 -10.944 1.00 2.97 N1+ ATOM 1617 NH2 ARG A 103 -15.022 -7.543 -13.217 1.00 3.22 N ATOM 0 H ARG A 103 -18.706 -7.219 -7.762 1.00 0.93 H new ATOM 0 HA ARG A 103 -16.720 -7.015 -9.945 1.00 0.95 H new ATOM 0 HB2 ARG A 103 -19.635 -7.858 -10.117 1.00 1.07 H new ATOM 0 HB3 ARG A 103 -18.556 -7.638 -11.480 1.00 1.07 H new ATOM 0 HG2 ARG A 103 -18.362 -9.750 -9.308 1.00 1.12 H new ATOM 0 HG3 ARG A 103 -18.725 -10.000 -11.004 1.00 1.12 H new ATOM 0 HD2 ARG A 103 -16.082 -9.096 -9.804 1.00 1.44 H new ATOM 0 HD3 ARG A 103 -16.412 -10.613 -10.616 1.00 1.44 H new ATOM 0 HE ARG A 103 -16.753 -9.266 -12.729 1.00 1.88 H new ATOM 0 HH11 ARG A 103 -14.928 -7.904 -10.017 1.00 2.97 H new ATOM 0 HH12 ARG A 103 -13.970 -6.837 -11.049 1.00 2.97 H new ATOM 0 HH21 ARG A 103 -15.512 -7.891 -14.041 1.00 3.22 H new ATOM 0 HH22 ARG A 103 -14.299 -6.830 -13.316 1.00 3.22 H new ATOM 1631 N SER A 104 -18.872 -4.966 -8.797 1.00 0.97 N ATOM 1632 CA SER A 104 -19.395 -3.614 -8.851 1.00 1.01 C ATOM 1633 C SER A 104 -19.144 -2.901 -7.528 1.00 0.98 C ATOM 1634 O SER A 104 -18.782 -3.539 -6.537 1.00 0.94 O ATOM 1635 CB SER A 104 -20.893 -3.652 -9.154 1.00 1.13 C ATOM 1636 OG SER A 104 -21.570 -4.555 -8.288 1.00 1.51 O ATOM 0 H SER A 104 -19.023 -5.436 -7.904 1.00 0.97 H new ATOM 0 HA SER A 104 -18.886 -3.066 -9.644 1.00 1.01 H new ATOM 0 HB2 SER A 104 -21.315 -2.653 -9.044 1.00 1.13 H new ATOM 0 HB3 SER A 104 -21.050 -3.951 -10.190 1.00 1.13 H new ATOM 0 HG SER A 104 -21.003 -5.337 -8.123 1.00 1.51 H new ATOM 1642 N ALA A 105 -19.336 -1.586 -7.510 1.00 1.02 N ATOM 1643 CA ALA A 105 -19.135 -0.805 -6.294 1.00 1.02 C ATOM 1644 C ALA A 105 -20.167 -1.195 -5.245 1.00 1.05 C ATOM 1645 O ALA A 105 -19.920 -1.091 -4.040 1.00 1.03 O ATOM 1646 CB ALA A 105 -19.212 0.686 -6.595 1.00 1.08 C ATOM 0 H ALA A 105 -19.629 -1.040 -8.320 1.00 1.02 H new ATOM 0 HA ALA A 105 -18.141 -1.020 -5.902 1.00 1.02 H new ATOM 0 HB1 ALA A 105 -19.060 1.251 -5.675 1.00 1.08 H new ATOM 0 HB2 ALA A 105 -18.440 0.952 -7.317 1.00 1.08 H new ATOM 0 HB3 ALA A 105 -20.192 0.924 -7.009 1.00 1.08 H new ATOM 1652 N SER A 106 -21.316 -1.660 -5.722 1.00 1.12 N ATOM 1653 CA SER A 106 -22.400 -2.094 -4.858 1.00 1.17 C ATOM 1654 C SER A 106 -21.964 -3.289 -4.008 1.00 1.09 C ATOM 1655 O SER A 106 -22.405 -3.453 -2.867 1.00 1.09 O ATOM 1656 CB SER A 106 -23.614 -2.463 -5.717 1.00 1.28 C ATOM 1657 OG SER A 106 -23.549 -1.817 -6.980 1.00 1.43 O ATOM 0 H SER A 106 -21.519 -1.745 -6.718 1.00 1.12 H new ATOM 0 HA SER A 106 -22.669 -1.281 -4.184 1.00 1.17 H new ATOM 0 HB2 SER A 106 -23.652 -3.543 -5.857 1.00 1.28 H new ATOM 0 HB3 SER A 106 -24.531 -2.176 -5.202 1.00 1.28 H new ATOM 0 HG SER A 106 -24.331 -2.066 -7.515 1.00 1.43 H new ATOM 1663 N ASP A 107 -21.079 -4.115 -4.567 1.00 1.05 N ATOM 1664 CA ASP A 107 -20.574 -5.285 -3.853 1.00 0.99 C ATOM 1665 C ASP A 107 -19.634 -4.855 -2.741 1.00 0.91 C ATOM 1666 O ASP A 107 -19.680 -5.389 -1.635 1.00 0.89 O ATOM 1667 CB ASP A 107 -19.834 -6.229 -4.803 1.00 0.97 C ATOM 1668 CG ASP A 107 -20.697 -6.711 -5.949 1.00 1.25 C ATOM 1669 OD1 ASP A 107 -21.816 -7.205 -5.693 1.00 1.56 O1- ATOM 1670 OD2 ASP A 107 -20.260 -6.592 -7.114 1.00 1.89 O ATOM 0 H ASP A 107 -20.700 -3.996 -5.506 1.00 1.05 H new ATOM 0 HA ASP A 107 -21.428 -5.812 -3.427 1.00 0.99 H new ATOM 0 HB2 ASP A 107 -18.959 -5.719 -5.204 1.00 0.97 H new ATOM 0 HB3 ASP A 107 -19.471 -7.090 -4.241 1.00 0.97 H new ATOM 1675 N ILE A 108 -18.801 -3.863 -3.040 1.00 0.90 N ATOM 1676 CA ILE A 108 -17.839 -3.344 -2.076 1.00 0.84 C ATOM 1677 C ILE A 108 -18.566 -2.790 -0.858 1.00 0.86 C ATOM 1678 O ILE A 108 -18.176 -3.041 0.286 1.00 0.83 O ATOM 1679 CB ILE A 108 -16.963 -2.225 -2.689 1.00 0.85 C ATOM 1680 CG1 ILE A 108 -16.493 -2.612 -4.096 1.00 0.86 C ATOM 1681 CG2 ILE A 108 -15.771 -1.932 -1.783 1.00 0.80 C ATOM 1682 CD1 ILE A 108 -15.822 -1.477 -4.848 1.00 0.90 C ATOM 0 H ILE A 108 -18.774 -3.400 -3.949 1.00 0.90 H new ATOM 0 HA ILE A 108 -17.192 -4.171 -1.784 1.00 0.84 H new ATOM 0 HB ILE A 108 -17.566 -1.321 -2.772 1.00 0.85 H new ATOM 0 HG12 ILE A 108 -15.797 -3.447 -4.020 1.00 0.86 H new ATOM 0 HG13 ILE A 108 -17.349 -2.962 -4.672 1.00 0.86 H new ATOM 0 HG21 ILE A 108 -15.163 -1.143 -2.226 1.00 0.80 H new ATOM 0 HG22 ILE A 108 -16.128 -1.609 -0.805 1.00 0.80 H new ATOM 0 HG23 ILE A 108 -15.169 -2.834 -1.670 1.00 0.80 H new ATOM 0 HD11 ILE A 108 -15.516 -1.825 -5.835 1.00 0.90 H new ATOM 0 HD12 ILE A 108 -16.522 -0.648 -4.956 1.00 0.90 H new ATOM 0 HD13 ILE A 108 -14.945 -1.142 -4.294 1.00 0.90 H new ATOM 1694 N ARG A 109 -19.646 -2.059 -1.121 1.00 0.91 N ATOM 1695 CA ARG A 109 -20.463 -1.462 -0.070 1.00 0.94 C ATOM 1696 C ARG A 109 -21.004 -2.543 0.864 1.00 0.94 C ATOM 1697 O ARG A 109 -21.089 -2.344 2.075 1.00 0.94 O ATOM 1698 CB ARG A 109 -21.619 -0.678 -0.707 1.00 1.00 C ATOM 1699 CG ARG A 109 -22.538 0.017 0.288 1.00 1.05 C ATOM 1700 CD ARG A 109 -23.669 0.742 -0.429 1.00 1.12 C ATOM 1701 NE ARG A 109 -24.556 1.454 0.493 1.00 1.24 N ATOM 1702 CZ ARG A 109 -25.606 0.900 1.103 1.00 1.71 C ATOM 1703 NH1 ARG A 109 -25.884 -0.388 0.924 1.00 2.19 N1+ ATOM 1704 NH2 ARG A 109 -26.383 1.640 1.889 1.00 1.94 N ATOM 0 H ARG A 109 -19.978 -1.865 -2.066 1.00 0.91 H new ATOM 0 HA ARG A 109 -19.848 -0.781 0.519 1.00 0.94 H new ATOM 0 HB2 ARG A 109 -21.204 0.070 -1.382 1.00 1.00 H new ATOM 0 HB3 ARG A 109 -22.213 -1.361 -1.314 1.00 1.00 H new ATOM 0 HG2 ARG A 109 -22.952 -0.716 0.980 1.00 1.05 H new ATOM 0 HG3 ARG A 109 -21.965 0.728 0.883 1.00 1.05 H new ATOM 0 HD2 ARG A 109 -23.247 1.451 -1.141 1.00 1.12 H new ATOM 0 HD3 ARG A 109 -24.251 0.021 -1.003 1.00 1.12 H new ATOM 0 HE ARG A 109 -24.359 2.437 0.681 1.00 1.24 H new ATOM 0 HH11 ARG A 109 -25.294 -0.958 0.318 1.00 2.19 H new ATOM 0 HH12 ARG A 109 -26.688 -0.806 1.393 1.00 2.19 H new ATOM 0 HH21 ARG A 109 -26.176 2.630 2.025 1.00 1.94 H new ATOM 0 HH22 ARG A 109 -27.186 1.218 2.356 1.00 1.94 H new ATOM 1718 N ASP A 110 -21.334 -3.699 0.284 1.00 0.95 N ATOM 1719 CA ASP A 110 -21.876 -4.827 1.044 1.00 0.97 C ATOM 1720 C ASP A 110 -20.811 -5.418 1.961 1.00 0.92 C ATOM 1721 O ASP A 110 -21.071 -5.694 3.133 1.00 0.92 O ATOM 1722 CB ASP A 110 -22.395 -5.910 0.089 1.00 1.01 C ATOM 1723 CG ASP A 110 -23.521 -6.734 0.684 1.00 1.34 C ATOM 1724 OD1 ASP A 110 -23.242 -7.714 1.407 1.00 1.95 O ATOM 1725 OD2 ASP A 110 -24.698 -6.408 0.410 1.00 1.85 O1- ATOM 0 H ASP A 110 -21.234 -3.879 -0.715 1.00 0.95 H new ATOM 0 HA ASP A 110 -22.702 -4.462 1.654 1.00 0.97 H new ATOM 0 HB2 ASP A 110 -22.743 -5.439 -0.831 1.00 1.01 H new ATOM 0 HB3 ASP A 110 -21.572 -6.571 -0.183 1.00 1.01 H new ATOM 1730 N VAL A 111 -19.610 -5.597 1.420 1.00 0.88 N ATOM 1731 CA VAL A 111 -18.492 -6.156 2.180 1.00 0.84 C ATOM 1732 C VAL A 111 -18.180 -5.295 3.399 1.00 0.84 C ATOM 1733 O VAL A 111 -17.906 -5.817 4.480 1.00 0.84 O ATOM 1734 CB VAL A 111 -17.224 -6.292 1.307 1.00 0.81 C ATOM 1735 CG1 VAL A 111 -16.100 -6.965 2.083 1.00 0.78 C ATOM 1736 CG2 VAL A 111 -17.533 -7.063 0.037 1.00 0.86 C ATOM 0 H VAL A 111 -19.383 -5.362 0.454 1.00 0.88 H new ATOM 0 HA VAL A 111 -18.794 -7.150 2.510 1.00 0.84 H new ATOM 0 HB VAL A 111 -16.892 -5.291 1.031 1.00 0.81 H new ATOM 0 HG11 VAL A 111 -15.219 -7.049 1.447 1.00 0.78 H new ATOM 0 HG12 VAL A 111 -15.857 -6.369 2.963 1.00 0.78 H new ATOM 0 HG13 VAL A 111 -16.418 -7.960 2.395 1.00 0.78 H new ATOM 0 HG21 VAL A 111 -16.629 -7.149 -0.566 1.00 0.86 H new ATOM 0 HG22 VAL A 111 -17.894 -8.059 0.295 1.00 0.86 H new ATOM 0 HG23 VAL A 111 -18.299 -6.536 -0.532 1.00 0.86 H new ATOM 1746 N PHE A 112 -18.240 -3.979 3.226 1.00 0.84 N ATOM 1747 CA PHE A 112 -17.975 -3.055 4.322 1.00 0.85 C ATOM 1748 C PHE A 112 -19.003 -3.241 5.435 1.00 0.89 C ATOM 1749 O PHE A 112 -18.659 -3.266 6.613 1.00 0.92 O ATOM 1750 CB PHE A 112 -17.989 -1.608 3.818 1.00 0.87 C ATOM 1751 CG PHE A 112 -16.636 -1.101 3.409 1.00 0.83 C ATOM 1752 CD1 PHE A 112 -16.116 -1.399 2.162 1.00 0.82 C ATOM 1753 CD2 PHE A 112 -15.887 -0.324 4.277 1.00 0.83 C ATOM 1754 CE1 PHE A 112 -14.871 -0.931 1.784 1.00 0.80 C ATOM 1755 CE2 PHE A 112 -14.642 0.149 3.905 1.00 0.82 C ATOM 1756 CZ PHE A 112 -14.134 -0.156 2.657 1.00 0.79 C ATOM 0 H PHE A 112 -18.469 -3.529 2.340 1.00 0.84 H new ATOM 0 HA PHE A 112 -16.985 -3.271 4.725 1.00 0.85 H new ATOM 0 HB2 PHE A 112 -18.667 -1.535 2.968 1.00 0.87 H new ATOM 0 HB3 PHE A 112 -18.388 -0.963 4.601 1.00 0.87 H new ATOM 0 HD1 PHE A 112 -16.689 -2.004 1.476 1.00 0.82 H new ATOM 0 HD2 PHE A 112 -16.279 -0.085 5.254 1.00 0.83 H new ATOM 0 HE1 PHE A 112 -14.476 -1.171 0.808 1.00 0.80 H new ATOM 0 HE2 PHE A 112 -14.068 0.756 4.589 1.00 0.82 H new ATOM 0 HZ PHE A 112 -13.161 0.211 2.365 1.00 0.79 H new ATOM 1766 N ILE A 113 -20.262 -3.400 5.051 1.00 0.92 N ATOM 1767 CA ILE A 113 -21.333 -3.603 6.022 1.00 0.97 C ATOM 1768 C ILE A 113 -21.097 -4.893 6.808 1.00 0.99 C ATOM 1769 O ILE A 113 -21.334 -4.957 8.016 1.00 1.03 O ATOM 1770 CB ILE A 113 -22.713 -3.662 5.329 1.00 1.00 C ATOM 1771 CG1 ILE A 113 -22.996 -2.354 4.587 1.00 0.98 C ATOM 1772 CG2 ILE A 113 -23.817 -3.946 6.340 1.00 1.08 C ATOM 1773 CD1 ILE A 113 -24.213 -2.414 3.686 1.00 1.33 C ATOM 0 H ILE A 113 -20.568 -3.393 4.078 1.00 0.92 H new ATOM 0 HA ILE A 113 -21.327 -2.755 6.707 1.00 0.97 H new ATOM 0 HB ILE A 113 -22.694 -4.477 4.606 1.00 1.00 H new ATOM 0 HG12 ILE A 113 -23.134 -1.556 5.316 1.00 0.98 H new ATOM 0 HG13 ILE A 113 -22.124 -2.091 3.988 1.00 0.98 H new ATOM 0 HG21 ILE A 113 -24.779 -3.983 5.828 1.00 1.08 H new ATOM 0 HG22 ILE A 113 -23.628 -4.903 6.826 1.00 1.08 H new ATOM 0 HG23 ILE A 113 -23.835 -3.156 7.090 1.00 1.08 H new ATOM 0 HD11 ILE A 113 -24.350 -1.451 3.194 1.00 1.33 H new ATOM 0 HD12 ILE A 113 -24.070 -3.189 2.933 1.00 1.33 H new ATOM 0 HD13 ILE A 113 -25.096 -2.645 4.282 1.00 1.33 H new ATOM 1785 N ASN A 114 -20.587 -5.908 6.119 1.00 0.97 N ATOM 1786 CA ASN A 114 -20.313 -7.206 6.737 1.00 1.00 C ATOM 1787 C ASN A 114 -19.142 -7.115 7.715 1.00 0.99 C ATOM 1788 O ASN A 114 -18.912 -8.022 8.514 1.00 1.02 O ATOM 1789 CB ASN A 114 -20.016 -8.257 5.668 1.00 1.01 C ATOM 1790 CG ASN A 114 -21.224 -8.579 4.807 1.00 1.40 C ATOM 1791 OD1 ASN A 114 -22.364 -8.580 5.278 1.00 1.72 O ATOM 1792 ND2 ASN A 114 -20.982 -8.855 3.534 1.00 1.93 N ATOM 0 H ASN A 114 -20.353 -5.859 5.127 1.00 0.97 H new ATOM 0 HA ASN A 114 -21.203 -7.504 7.292 1.00 1.00 H new ATOM 0 HB2 ASN A 114 -19.206 -7.902 5.031 1.00 1.01 H new ATOM 0 HB3 ASN A 114 -19.666 -9.170 6.150 1.00 1.01 H new ATOM 0 HD21 ASN A 114 -21.753 -9.079 2.905 1.00 1.93 H new ATOM 0 HD22 ASN A 114 -20.024 -8.844 3.183 1.00 1.93 H new ATOM 1799 N ALA A 115 -18.391 -6.023 7.641 1.00 0.97 N ATOM 1800 CA ALA A 115 -17.255 -5.813 8.529 1.00 0.97 C ATOM 1801 C ALA A 115 -17.693 -5.076 9.791 1.00 1.01 C ATOM 1802 O ALA A 115 -16.901 -4.858 10.711 1.00 1.10 O ATOM 1803 CB ALA A 115 -16.156 -5.046 7.805 1.00 0.94 C ATOM 0 H ALA A 115 -18.549 -5.268 6.974 1.00 0.97 H new ATOM 0 HA ALA A 115 -16.857 -6.784 8.826 1.00 0.97 H new ATOM 0 HB1 ALA A 115 -15.313 -4.895 8.479 1.00 0.94 H new ATOM 0 HB2 ALA A 115 -15.828 -5.615 6.935 1.00 0.94 H new ATOM 0 HB3 ALA A 115 -16.540 -4.078 7.482 1.00 0.94 H new ATOM 1809 N GLY A 116 -18.965 -4.709 9.837 1.00 1.01 N ATOM 1810 CA GLY A 116 -19.492 -4.007 10.986 1.00 1.05 C ATOM 1811 C GLY A 116 -19.611 -2.525 10.735 1.00 1.06 C ATOM 1812 O GLY A 116 -19.741 -1.739 11.672 1.00 1.15 O ATOM 0 H GLY A 116 -19.643 -4.886 9.096 1.00 1.01 H new ATOM 0 HA2 GLY A 116 -20.472 -4.412 11.240 1.00 1.05 H new ATOM 0 HA3 GLY A 116 -18.843 -4.179 11.845 1.00 1.05 H new ATOM 1816 N ILE A 117 -19.550 -2.140 9.472 1.00 1.01 N ATOM 1817 CA ILE A 117 -19.667 -0.744 9.092 1.00 1.02 C ATOM 1818 C ILE A 117 -21.114 -0.415 8.750 1.00 1.04 C ATOM 1819 O ILE A 117 -21.749 -1.122 7.968 1.00 1.06 O ATOM 1820 CB ILE A 117 -18.763 -0.402 7.884 1.00 0.97 C ATOM 1821 CG1 ILE A 117 -17.305 -0.794 8.168 1.00 0.94 C ATOM 1822 CG2 ILE A 117 -18.866 1.077 7.530 1.00 1.00 C ATOM 1823 CD1 ILE A 117 -16.690 -0.072 9.350 1.00 1.61 C ATOM 0 H ILE A 117 -19.419 -2.780 8.688 1.00 1.01 H new ATOM 0 HA ILE A 117 -19.341 -0.144 9.942 1.00 1.02 H new ATOM 0 HB ILE A 117 -19.110 -0.979 7.027 1.00 0.97 H new ATOM 0 HG12 ILE A 117 -17.257 -1.868 8.347 1.00 0.94 H new ATOM 0 HG13 ILE A 117 -16.706 -0.591 7.280 1.00 0.94 H new ATOM 0 HG21 ILE A 117 -18.222 1.293 6.678 1.00 1.00 H new ATOM 0 HG22 ILE A 117 -19.898 1.319 7.275 1.00 1.00 H new ATOM 0 HG23 ILE A 117 -18.552 1.678 8.384 1.00 1.00 H new ATOM 0 HD11 ILE A 117 -15.661 -0.404 9.484 1.00 1.61 H new ATOM 0 HD12 ILE A 117 -16.703 1.002 9.167 1.00 1.61 H new ATOM 0 HD13 ILE A 117 -17.263 -0.294 10.250 1.00 1.61 H new ATOM 1835 N LYS A 118 -21.633 0.649 9.348 1.00 1.08 N ATOM 1836 CA LYS A 118 -23.005 1.074 9.096 1.00 1.12 C ATOM 1837 C LYS A 118 -23.171 1.493 7.641 1.00 1.11 C ATOM 1838 O LYS A 118 -22.362 2.263 7.116 1.00 1.07 O ATOM 1839 CB LYS A 118 -23.388 2.235 10.017 1.00 1.18 C ATOM 1840 CG LYS A 118 -24.227 1.814 11.215 1.00 1.29 C ATOM 1841 CD LYS A 118 -24.714 3.024 11.994 1.00 1.83 C ATOM 1842 CE LYS A 118 -25.858 2.660 12.932 1.00 1.95 C ATOM 1843 NZ LYS A 118 -27.036 2.140 12.191 1.00 2.73 N1+ ATOM 0 H LYS A 118 -21.125 1.234 10.011 1.00 1.08 H new ATOM 0 HA LYS A 118 -23.665 0.231 9.301 1.00 1.12 H new ATOM 0 HB2 LYS A 118 -22.479 2.720 10.373 1.00 1.18 H new ATOM 0 HB3 LYS A 118 -23.940 2.977 9.441 1.00 1.18 H new ATOM 0 HG2 LYS A 118 -25.081 1.228 10.877 1.00 1.29 H new ATOM 0 HG3 LYS A 118 -23.637 1.171 11.868 1.00 1.29 H new ATOM 0 HD2 LYS A 118 -23.889 3.443 12.570 1.00 1.83 H new ATOM 0 HD3 LYS A 118 -25.043 3.797 11.300 1.00 1.83 H new ATOM 0 HE2 LYS A 118 -25.518 1.910 13.646 1.00 1.95 H new ATOM 0 HE3 LYS A 118 -26.150 3.539 13.507 1.00 1.95 H new ATOM 0 HZ1 LYS A 118 -27.901 2.330 12.737 1.00 2.73 H new ATOM 0 HZ2 LYS A 118 -27.100 2.611 11.266 1.00 2.73 H new ATOM 0 HZ3 LYS A 118 -26.933 1.115 12.051 1.00 2.73 H new ATOM 1857 N GLY A 119 -24.218 0.986 7.001 1.00 1.17 N ATOM 1858 CA GLY A 119 -24.472 1.314 5.609 1.00 1.19 C ATOM 1859 C GLY A 119 -24.743 2.791 5.418 1.00 1.19 C ATOM 1860 O GLY A 119 -24.250 3.404 4.472 1.00 1.19 O ATOM 0 H GLY A 119 -24.898 0.352 7.421 1.00 1.17 H new ATOM 0 HA2 GLY A 119 -23.614 1.021 5.004 1.00 1.19 H new ATOM 0 HA3 GLY A 119 -25.326 0.739 5.250 1.00 1.19 H new ATOM 1864 N GLU A 120 -25.515 3.366 6.334 1.00 1.23 N ATOM 1865 CA GLU A 120 -25.853 4.783 6.283 1.00 1.27 C ATOM 1866 C GLU A 120 -24.591 5.618 6.465 1.00 1.20 C ATOM 1867 O GLU A 120 -24.419 6.660 5.826 1.00 1.22 O ATOM 1868 CB GLU A 120 -26.881 5.135 7.372 1.00 1.35 C ATOM 1869 CG GLU A 120 -27.885 4.027 7.666 1.00 1.80 C ATOM 1870 CD GLU A 120 -27.428 3.082 8.762 1.00 2.36 C ATOM 1871 OE1 GLU A 120 -26.679 2.130 8.455 1.00 2.88 O1- ATOM 1872 OE2 GLU A 120 -27.813 3.286 9.933 1.00 2.98 O ATOM 0 H GLU A 120 -25.921 2.868 7.126 1.00 1.23 H new ATOM 0 HA GLU A 120 -26.294 5.003 5.311 1.00 1.27 H new ATOM 0 HB2 GLU A 120 -26.350 5.381 8.291 1.00 1.35 H new ATOM 0 HB3 GLU A 120 -27.424 6.030 7.068 1.00 1.35 H new ATOM 0 HG2 GLU A 120 -28.836 4.474 7.954 1.00 1.80 H new ATOM 0 HG3 GLU A 120 -28.064 3.457 6.755 1.00 1.80 H new ATOM 1879 N GLU A 121 -23.701 5.133 7.327 1.00 1.16 N ATOM 1880 CA GLU A 121 -22.446 5.814 7.601 1.00 1.12 C ATOM 1881 C GLU A 121 -21.551 5.752 6.372 1.00 1.07 C ATOM 1882 O GLU A 121 -20.986 6.763 5.946 1.00 1.07 O ATOM 1883 CB GLU A 121 -21.736 5.166 8.787 1.00 1.10 C ATOM 1884 CG GLU A 121 -20.542 5.958 9.291 1.00 1.15 C ATOM 1885 CD GLU A 121 -20.936 7.007 10.301 1.00 1.70 C ATOM 1886 OE1 GLU A 121 -21.604 7.992 9.922 1.00 2.52 O1- ATOM 1887 OE2 GLU A 121 -20.580 6.849 11.486 1.00 1.97 O ATOM 0 H GLU A 121 -23.830 4.266 7.849 1.00 1.16 H new ATOM 0 HA GLU A 121 -22.658 6.855 7.845 1.00 1.12 H new ATOM 0 HB2 GLU A 121 -22.449 5.042 9.602 1.00 1.10 H new ATOM 0 HB3 GLU A 121 -21.404 4.168 8.499 1.00 1.10 H new ATOM 0 HG2 GLU A 121 -19.820 5.276 9.741 1.00 1.15 H new ATOM 0 HG3 GLU A 121 -20.045 6.437 8.448 1.00 1.15 H new ATOM 1894 N TYR A 122 -21.443 4.558 5.795 1.00 1.04 N ATOM 1895 CA TYR A 122 -20.624 4.348 4.610 1.00 1.01 C ATOM 1896 C TYR A 122 -21.110 5.211 3.453 1.00 1.05 C ATOM 1897 O TYR A 122 -20.309 5.774 2.716 1.00 1.05 O ATOM 1898 CB TYR A 122 -20.632 2.869 4.204 1.00 1.00 C ATOM 1899 CG TYR A 122 -19.743 2.562 3.014 1.00 0.95 C ATOM 1900 CD1 TYR A 122 -18.370 2.412 3.166 1.00 1.50 C ATOM 1901 CD2 TYR A 122 -20.280 2.422 1.739 1.00 1.30 C ATOM 1902 CE1 TYR A 122 -17.557 2.128 2.083 1.00 1.51 C ATOM 1903 CE2 TYR A 122 -19.473 2.139 0.652 1.00 1.28 C ATOM 1904 CZ TYR A 122 -18.114 1.991 0.830 1.00 0.93 C ATOM 1905 OH TYR A 122 -17.311 1.702 -0.250 1.00 0.95 O ATOM 0 H TYR A 122 -21.916 3.719 6.133 1.00 1.04 H new ATOM 0 HA TYR A 122 -19.602 4.640 4.852 1.00 1.01 H new ATOM 0 HB2 TYR A 122 -20.310 2.266 5.053 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -21.654 2.570 3.970 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -17.930 2.519 4.146 1.00 1.50 H new ATOM 0 HD2 TYR A 122 -21.344 2.536 1.595 1.00 1.30 H new ATOM 0 HE1 TYR A 122 -16.492 2.014 2.219 1.00 1.51 H new ATOM 0 HE2 TYR A 122 -19.906 2.034 -0.332 1.00 1.28 H new ATOM 0 HH TYR A 122 -17.271 2.480 -0.845 1.00 0.95 H new ATOM 1915 N ASP A 123 -22.424 5.314 3.305 1.00 1.11 N ATOM 1916 CA ASP A 123 -23.022 6.117 2.239 1.00 1.18 C ATOM 1917 C ASP A 123 -22.631 7.585 2.370 1.00 1.18 C ATOM 1918 O ASP A 123 -22.437 8.283 1.370 1.00 1.21 O ATOM 1919 CB ASP A 123 -24.546 5.989 2.256 1.00 1.25 C ATOM 1920 CG ASP A 123 -25.041 4.735 1.563 1.00 1.72 C ATOM 1921 OD1 ASP A 123 -24.294 4.165 0.742 1.00 2.25 O ATOM 1922 OD2 ASP A 123 -26.184 4.312 1.836 1.00 2.30 O1- ATOM 0 H ASP A 123 -23.101 4.851 3.911 1.00 1.11 H new ATOM 0 HA ASP A 123 -22.642 5.738 1.290 1.00 1.18 H new ATOM 0 HB2 ASP A 123 -24.894 5.988 3.289 1.00 1.25 H new ATOM 0 HB3 ASP A 123 -24.984 6.862 1.773 1.00 1.25 H new ATOM 1927 N ALA A 124 -22.514 8.048 3.610 1.00 1.18 N ATOM 1928 CA ALA A 124 -22.141 9.430 3.875 1.00 1.20 C ATOM 1929 C ALA A 124 -20.652 9.634 3.651 1.00 1.17 C ATOM 1930 O ALA A 124 -20.233 10.605 3.021 1.00 1.23 O ATOM 1931 CB ALA A 124 -22.520 9.824 5.292 1.00 1.21 C ATOM 0 H ALA A 124 -22.672 7.486 4.446 1.00 1.18 H new ATOM 0 HA ALA A 124 -22.686 10.069 3.181 1.00 1.20 H new ATOM 0 HB1 ALA A 124 -22.233 10.860 5.471 1.00 1.21 H new ATOM 0 HB2 ALA A 124 -23.597 9.718 5.423 1.00 1.21 H new ATOM 0 HB3 ALA A 124 -22.003 9.177 6.000 1.00 1.21 H new ATOM 1937 N ALA A 125 -19.855 8.703 4.166 1.00 1.09 N ATOM 1938 CA ALA A 125 -18.403 8.767 4.026 1.00 1.06 C ATOM 1939 C ALA A 125 -17.988 8.606 2.563 1.00 1.08 C ATOM 1940 O ALA A 125 -16.992 9.175 2.126 1.00 1.11 O ATOM 1941 CB ALA A 125 -17.737 7.708 4.889 1.00 1.02 C ATOM 0 H ALA A 125 -20.191 7.892 4.686 1.00 1.09 H new ATOM 0 HA ALA A 125 -18.073 9.748 4.366 1.00 1.06 H new ATOM 0 HB1 ALA A 125 -16.655 7.771 4.772 1.00 1.02 H new ATOM 0 HB2 ALA A 125 -17.999 7.873 5.934 1.00 1.02 H new ATOM 0 HB3 ALA A 125 -18.079 6.720 4.581 1.00 1.02 H new ATOM 1947 N TRP A 126 -18.764 7.830 1.821 1.00 1.07 N ATOM 1948 CA TRP A 126 -18.510 7.589 0.404 1.00 1.10 C ATOM 1949 C TRP A 126 -18.468 8.904 -0.374 1.00 1.21 C ATOM 1950 O TRP A 126 -17.708 9.050 -1.330 1.00 1.25 O ATOM 1951 CB TRP A 126 -19.610 6.671 -0.157 1.00 1.12 C ATOM 1952 CG TRP A 126 -19.497 6.382 -1.627 1.00 1.15 C ATOM 1953 CD1 TRP A 126 -20.288 6.883 -2.625 1.00 1.31 C ATOM 1954 CD2 TRP A 126 -18.544 5.524 -2.266 1.00 1.04 C ATOM 1955 NE1 TRP A 126 -19.894 6.381 -3.841 1.00 1.30 N ATOM 1956 CE2 TRP A 126 -18.819 5.551 -3.648 1.00 1.14 C ATOM 1957 CE3 TRP A 126 -17.484 4.733 -1.803 1.00 0.92 C ATOM 1958 CZ2 TRP A 126 -18.072 4.823 -4.568 1.00 1.09 C ATOM 1959 CZ3 TRP A 126 -16.741 4.015 -2.721 1.00 0.89 C ATOM 1960 CH2 TRP A 126 -17.037 4.065 -4.089 1.00 0.96 C ATOM 0 H TRP A 126 -19.588 7.349 2.182 1.00 1.07 H new ATOM 0 HA TRP A 126 -17.539 7.106 0.294 1.00 1.10 H new ATOM 0 HB2 TRP A 126 -19.589 5.727 0.388 1.00 1.12 H new ATOM 0 HB3 TRP A 126 -20.580 7.129 0.036 1.00 1.12 H new ATOM 0 HD1 TRP A 126 -21.105 7.574 -2.477 1.00 1.31 H new ATOM 0 HE1 TRP A 126 -20.329 6.591 -4.739 1.00 1.30 H new ATOM 0 HE3 TRP A 126 -17.252 4.685 -0.749 1.00 0.92 H new ATOM 0 HZ2 TRP A 126 -18.300 4.854 -5.623 1.00 1.09 H new ATOM 0 HZ3 TRP A 126 -15.918 3.405 -2.378 1.00 0.89 H new ATOM 0 HH2 TRP A 126 -16.436 3.494 -4.781 1.00 0.96 H new ATOM 1971 N ASN A 127 -19.266 9.864 0.057 1.00 1.27 N ATOM 1972 CA ASN A 127 -19.329 11.157 -0.610 1.00 1.39 C ATOM 1973 C ASN A 127 -18.745 12.261 0.267 1.00 1.41 C ATOM 1974 O ASN A 127 -19.041 13.441 0.079 1.00 1.53 O ATOM 1975 CB ASN A 127 -20.778 11.487 -0.968 1.00 1.49 C ATOM 1976 CG ASN A 127 -21.332 10.596 -2.065 1.00 1.52 C ATOM 1977 OD1 ASN A 127 -21.101 10.836 -3.251 1.00 1.63 O ATOM 1978 ND2 ASN A 127 -22.075 9.567 -1.676 1.00 1.49 N ATOM 0 H ASN A 127 -19.881 9.775 0.866 1.00 1.27 H new ATOM 0 HA ASN A 127 -18.733 11.098 -1.521 1.00 1.39 H new ATOM 0 HB2 ASN A 127 -21.399 11.387 -0.078 1.00 1.49 H new ATOM 0 HB3 ASN A 127 -20.841 12.528 -1.286 1.00 1.49 H new ATOM 0 HD21 ASN A 127 -22.480 8.939 -2.370 1.00 1.49 H new ATOM 0 HD22 ASN A 127 -22.241 9.405 -0.683 1.00 1.49 H new ATOM 1985 N SER A 128 -17.909 11.870 1.218 1.00 1.34 N ATOM 1986 CA SER A 128 -17.285 12.817 2.132 1.00 1.37 C ATOM 1987 C SER A 128 -16.139 13.559 1.449 1.00 1.36 C ATOM 1988 O SER A 128 -15.387 12.973 0.663 1.00 1.34 O ATOM 1989 CB SER A 128 -16.767 12.081 3.371 1.00 1.32 C ATOM 1990 OG SER A 128 -15.788 12.843 4.062 1.00 2.04 O ATOM 0 H SER A 128 -17.646 10.898 1.378 1.00 1.34 H new ATOM 0 HA SER A 128 -18.035 13.549 2.434 1.00 1.37 H new ATOM 0 HB2 SER A 128 -17.599 11.865 4.041 1.00 1.32 H new ATOM 0 HB3 SER A 128 -16.340 11.123 3.074 1.00 1.32 H new ATOM 0 HG SER A 128 -15.480 12.345 4.848 1.00 2.04 H new ATOM 1996 N PHE A 129 -16.008 14.843 1.767 1.00 1.41 N ATOM 1997 CA PHE A 129 -14.958 15.679 1.199 1.00 1.43 C ATOM 1998 C PHE A 129 -13.582 15.138 1.574 1.00 1.32 C ATOM 1999 O PHE A 129 -12.646 15.191 0.772 1.00 1.24 O ATOM 2000 CB PHE A 129 -15.109 17.123 1.694 1.00 1.58 C ATOM 2001 CG PHE A 129 -14.068 18.061 1.148 1.00 2.28 C ATOM 2002 CD1 PHE A 129 -14.083 18.431 -0.188 1.00 2.61 C ATOM 2003 CD2 PHE A 129 -13.069 18.571 1.967 1.00 2.95 C ATOM 2004 CE1 PHE A 129 -13.122 19.287 -0.697 1.00 3.39 C ATOM 2005 CE2 PHE A 129 -12.106 19.427 1.464 1.00 3.66 C ATOM 2006 CZ PHE A 129 -12.132 19.786 0.131 1.00 3.82 C ATOM 0 H PHE A 129 -16.622 15.330 2.420 1.00 1.41 H new ATOM 0 HA PHE A 129 -15.052 15.664 0.113 1.00 1.43 H new ATOM 0 HB2 PHE A 129 -16.097 17.491 1.418 1.00 1.58 H new ATOM 0 HB3 PHE A 129 -15.058 17.132 2.783 1.00 1.58 H new ATOM 0 HD1 PHE A 129 -14.854 18.047 -0.839 1.00 2.61 H new ATOM 0 HD2 PHE A 129 -13.044 18.295 3.011 1.00 2.95 H new ATOM 0 HE1 PHE A 129 -13.145 19.565 -1.740 1.00 3.39 H new ATOM 0 HE2 PHE A 129 -11.335 19.814 2.113 1.00 3.66 H new ATOM 0 HZ PHE A 129 -11.382 20.455 -0.264 1.00 3.82 H new ATOM 2016 N VAL A 130 -13.473 14.602 2.784 1.00 1.34 N ATOM 2017 CA VAL A 130 -12.215 14.054 3.265 1.00 1.27 C ATOM 2018 C VAL A 130 -11.797 12.873 2.400 1.00 1.13 C ATOM 2019 O VAL A 130 -10.650 12.784 1.958 1.00 1.06 O ATOM 2020 CB VAL A 130 -12.320 13.596 4.738 1.00 1.34 C ATOM 2021 CG1 VAL A 130 -10.967 13.125 5.257 1.00 1.30 C ATOM 2022 CG2 VAL A 130 -12.871 14.717 5.610 1.00 1.53 C ATOM 0 H VAL A 130 -14.243 14.536 3.449 1.00 1.34 H new ATOM 0 HA VAL A 130 -11.467 14.844 3.204 1.00 1.27 H new ATOM 0 HB VAL A 130 -13.011 12.755 4.784 1.00 1.34 H new ATOM 0 HG11 VAL A 130 -11.066 12.808 6.295 1.00 1.30 H new ATOM 0 HG12 VAL A 130 -10.617 12.287 4.653 1.00 1.30 H new ATOM 0 HG13 VAL A 130 -10.249 13.942 5.194 1.00 1.30 H new ATOM 0 HG21 VAL A 130 -12.937 14.375 6.643 1.00 1.53 H new ATOM 0 HG22 VAL A 130 -12.208 15.580 5.555 1.00 1.53 H new ATOM 0 HG23 VAL A 130 -13.863 14.999 5.257 1.00 1.53 H new ATOM 2032 N VAL A 131 -12.753 11.990 2.136 1.00 1.11 N ATOM 2033 CA VAL A 131 -12.513 10.809 1.321 1.00 1.01 C ATOM 2034 C VAL A 131 -12.139 11.213 -0.104 1.00 0.96 C ATOM 2035 O VAL A 131 -11.174 10.701 -0.671 1.00 0.90 O ATOM 2036 CB VAL A 131 -13.756 9.892 1.308 1.00 1.04 C ATOM 2037 CG1 VAL A 131 -13.622 8.796 0.265 1.00 0.98 C ATOM 2038 CG2 VAL A 131 -13.968 9.289 2.688 1.00 1.08 C ATOM 0 H VAL A 131 -13.710 12.073 2.479 1.00 1.11 H new ATOM 0 HA VAL A 131 -11.682 10.256 1.758 1.00 1.01 H new ATOM 0 HB VAL A 131 -14.624 10.496 1.044 1.00 1.04 H new ATOM 0 HG11 VAL A 131 -14.513 8.168 0.281 1.00 0.98 H new ATOM 0 HG12 VAL A 131 -13.512 9.245 -0.722 1.00 0.98 H new ATOM 0 HG13 VAL A 131 -12.745 8.188 0.487 1.00 0.98 H new ATOM 0 HG21 VAL A 131 -14.846 8.643 2.672 1.00 1.08 H new ATOM 0 HG22 VAL A 131 -13.092 8.703 2.968 1.00 1.08 H new ATOM 0 HG23 VAL A 131 -14.118 10.087 3.415 1.00 1.08 H new ATOM 2048 N LYS A 132 -12.893 12.157 -0.658 1.00 1.02 N ATOM 2049 CA LYS A 132 -12.646 12.650 -2.008 1.00 1.01 C ATOM 2050 C LYS A 132 -11.245 13.247 -2.112 1.00 0.96 C ATOM 2051 O LYS A 132 -10.540 13.033 -3.099 1.00 0.91 O ATOM 2052 CB LYS A 132 -13.700 13.693 -2.390 1.00 1.11 C ATOM 2053 CG LYS A 132 -15.095 13.102 -2.545 1.00 1.32 C ATOM 2054 CD LYS A 132 -16.180 14.168 -2.457 1.00 1.44 C ATOM 2055 CE LYS A 132 -16.254 15.007 -3.722 1.00 1.93 C ATOM 2056 NZ LYS A 132 -17.433 15.913 -3.707 1.00 2.43 N1+ ATOM 0 H LYS A 132 -13.685 12.598 -0.189 1.00 1.02 H new ATOM 0 HA LYS A 132 -12.715 11.812 -2.702 1.00 1.01 H new ATOM 0 HB2 LYS A 132 -13.724 14.472 -1.628 1.00 1.11 H new ATOM 0 HB3 LYS A 132 -13.408 14.171 -3.325 1.00 1.11 H new ATOM 0 HG2 LYS A 132 -15.167 12.590 -3.504 1.00 1.32 H new ATOM 0 HG3 LYS A 132 -15.259 12.353 -1.771 1.00 1.32 H new ATOM 0 HD2 LYS A 132 -17.144 13.691 -2.281 1.00 1.44 H new ATOM 0 HD3 LYS A 132 -15.984 14.816 -1.603 1.00 1.44 H new ATOM 0 HE2 LYS A 132 -15.342 15.596 -3.823 1.00 1.93 H new ATOM 0 HE3 LYS A 132 -16.308 14.352 -4.592 1.00 1.93 H new ATOM 0 HZ1 LYS A 132 -17.453 16.471 -4.584 1.00 2.43 H new ATOM 0 HZ2 LYS A 132 -18.304 15.349 -3.635 1.00 2.43 H new ATOM 0 HZ3 LYS A 132 -17.368 16.554 -2.891 1.00 2.43 H new ATOM 2070 N SER A 133 -10.838 13.975 -1.076 1.00 0.99 N ATOM 2071 CA SER A 133 -9.518 14.591 -1.045 1.00 0.96 C ATOM 2072 C SER A 133 -8.424 13.522 -0.983 1.00 0.88 C ATOM 2073 O SER A 133 -7.320 13.714 -1.494 1.00 0.86 O ATOM 2074 CB SER A 133 -9.406 15.540 0.149 1.00 1.04 C ATOM 2075 OG SER A 133 -10.420 16.530 0.110 1.00 1.47 O ATOM 0 H SER A 133 -11.405 14.152 -0.247 1.00 0.99 H new ATOM 0 HA SER A 133 -9.383 15.165 -1.962 1.00 0.96 H new ATOM 0 HB2 SER A 133 -9.482 14.973 1.077 1.00 1.04 H new ATOM 0 HB3 SER A 133 -8.426 16.018 0.147 1.00 1.04 H new ATOM 0 HG SER A 133 -11.276 16.132 0.372 1.00 1.47 H new ATOM 2081 N LEU A 134 -8.736 12.391 -0.359 1.00 0.85 N ATOM 2082 CA LEU A 134 -7.784 11.294 -0.245 1.00 0.79 C ATOM 2083 C LEU A 134 -7.599 10.606 -1.593 1.00 0.72 C ATOM 2084 O LEU A 134 -6.487 10.216 -1.953 1.00 0.69 O ATOM 2085 CB LEU A 134 -8.246 10.282 0.805 1.00 0.80 C ATOM 2086 CG LEU A 134 -8.128 10.753 2.259 1.00 0.88 C ATOM 2087 CD1 LEU A 134 -8.731 9.729 3.203 1.00 0.91 C ATOM 2088 CD2 LEU A 134 -6.675 11.015 2.621 1.00 0.93 C ATOM 0 H LEU A 134 -9.641 12.211 0.075 1.00 0.85 H new ATOM 0 HA LEU A 134 -6.826 11.707 0.072 1.00 0.79 H new ATOM 0 HB2 LEU A 134 -9.286 10.025 0.606 1.00 0.80 H new ATOM 0 HB3 LEU A 134 -7.664 9.368 0.687 1.00 0.80 H new ATOM 0 HG LEU A 134 -8.683 11.686 2.361 1.00 0.88 H new ATOM 0 HD11 LEU A 134 -8.637 10.082 4.230 1.00 0.91 H new ATOM 0 HD12 LEU A 134 -9.785 9.588 2.962 1.00 0.91 H new ATOM 0 HD13 LEU A 134 -8.204 8.781 3.096 1.00 0.91 H new ATOM 0 HD21 LEU A 134 -6.613 11.348 3.657 1.00 0.93 H new ATOM 0 HD22 LEU A 134 -6.099 10.098 2.500 1.00 0.93 H new ATOM 0 HD23 LEU A 134 -6.270 11.787 1.966 1.00 0.93 H new ATOM 2100 N VAL A 135 -8.694 10.476 -2.341 1.00 0.73 N ATOM 2101 CA VAL A 135 -8.655 9.844 -3.657 1.00 0.69 C ATOM 2102 C VAL A 135 -7.701 10.591 -4.586 1.00 0.68 C ATOM 2103 O VAL A 135 -6.867 9.983 -5.259 1.00 0.63 O ATOM 2104 CB VAL A 135 -10.058 9.790 -4.306 1.00 0.75 C ATOM 2105 CG1 VAL A 135 -10.011 9.088 -5.657 1.00 0.73 C ATOM 2106 CG2 VAL A 135 -11.047 9.098 -3.387 1.00 0.80 C ATOM 0 H VAL A 135 -9.619 10.800 -2.057 1.00 0.73 H new ATOM 0 HA VAL A 135 -8.300 8.824 -3.511 1.00 0.69 H new ATOM 0 HB VAL A 135 -10.390 10.816 -4.467 1.00 0.75 H new ATOM 0 HG11 VAL A 135 -11.011 9.065 -6.090 1.00 0.73 H new ATOM 0 HG12 VAL A 135 -9.339 9.628 -6.324 1.00 0.73 H new ATOM 0 HG13 VAL A 135 -9.649 8.068 -5.525 1.00 0.73 H new ATOM 0 HG21 VAL A 135 -12.028 9.071 -3.862 1.00 0.80 H new ATOM 0 HG22 VAL A 135 -10.710 8.080 -3.191 1.00 0.80 H new ATOM 0 HG23 VAL A 135 -11.115 9.646 -2.447 1.00 0.80 H new ATOM 2116 N ALA A 136 -7.817 11.914 -4.595 1.00 0.74 N ATOM 2117 CA ALA A 136 -6.973 12.755 -5.434 1.00 0.75 C ATOM 2118 C ALA A 136 -5.496 12.572 -5.104 1.00 0.70 C ATOM 2119 O ALA A 136 -4.651 12.549 -6.000 1.00 0.68 O ATOM 2120 CB ALA A 136 -7.367 14.211 -5.277 1.00 0.85 C ATOM 0 H ALA A 136 -8.491 12.429 -4.028 1.00 0.74 H new ATOM 0 HA ALA A 136 -7.123 12.451 -6.470 1.00 0.75 H new ATOM 0 HB1 ALA A 136 -6.730 14.830 -5.908 1.00 0.85 H new ATOM 0 HB2 ALA A 136 -8.408 14.340 -5.574 1.00 0.85 H new ATOM 0 HB3 ALA A 136 -7.247 14.510 -4.236 1.00 0.85 H new ATOM 2126 N GLN A 137 -5.197 12.439 -3.818 1.00 0.72 N ATOM 2127 CA GLN A 137 -3.824 12.259 -3.359 1.00 0.71 C ATOM 2128 C GLN A 137 -3.250 10.932 -3.840 1.00 0.63 C ATOM 2129 O GLN A 137 -2.082 10.854 -4.220 1.00 0.63 O ATOM 2130 CB GLN A 137 -3.762 12.324 -1.833 1.00 0.78 C ATOM 2131 CG GLN A 137 -3.854 13.733 -1.272 1.00 0.84 C ATOM 2132 CD GLN A 137 -4.083 13.741 0.226 1.00 0.83 C ATOM 2133 OE1 GLN A 137 -3.137 13.683 1.012 1.00 1.08 O ATOM 2134 NE2 GLN A 137 -5.341 13.812 0.634 1.00 1.39 N ATOM 0 H GLN A 137 -5.890 12.452 -3.070 1.00 0.72 H new ATOM 0 HA GLN A 137 -3.224 13.066 -3.780 1.00 0.71 H new ATOM 0 HB2 GLN A 137 -4.574 11.726 -1.420 1.00 0.78 H new ATOM 0 HB3 GLN A 137 -2.830 11.870 -1.497 1.00 0.78 H new ATOM 0 HG2 GLN A 137 -2.935 14.273 -1.500 1.00 0.84 H new ATOM 0 HG3 GLN A 137 -4.667 14.266 -1.765 1.00 0.84 H new ATOM 0 HE21 GLN A 137 -6.097 13.859 -0.049 1.00 1.39 H new ATOM 0 HE22 GLN A 137 -5.554 13.820 1.631 1.00 1.39 H new ATOM 2143 N GLN A 138 -4.079 9.895 -3.828 1.00 0.58 N ATOM 2144 CA GLN A 138 -3.653 8.567 -4.257 1.00 0.52 C ATOM 2145 C GLN A 138 -3.209 8.578 -5.717 1.00 0.55 C ATOM 2146 O GLN A 138 -2.152 8.045 -6.059 1.00 0.58 O ATOM 2147 CB GLN A 138 -4.786 7.555 -4.055 1.00 0.50 C ATOM 2148 CG GLN A 138 -5.090 7.268 -2.593 1.00 0.50 C ATOM 2149 CD GLN A 138 -6.228 6.282 -2.415 1.00 0.50 C ATOM 2150 OE1 GLN A 138 -6.014 5.073 -2.390 1.00 0.49 O ATOM 2151 NE2 GLN A 138 -7.444 6.790 -2.275 1.00 0.61 N ATOM 0 H GLN A 138 -5.052 9.948 -3.525 1.00 0.58 H new ATOM 0 HA GLN A 138 -2.800 8.271 -3.646 1.00 0.52 H new ATOM 0 HB2 GLN A 138 -5.688 7.930 -4.538 1.00 0.50 H new ATOM 0 HB3 GLN A 138 -4.522 6.622 -4.553 1.00 0.50 H new ATOM 0 HG2 GLN A 138 -4.195 6.875 -2.110 1.00 0.50 H new ATOM 0 HG3 GLN A 138 -5.341 8.201 -2.088 1.00 0.50 H new ATOM 0 HE21 GLN A 138 -7.581 7.800 -2.301 1.00 0.61 H new ATOM 0 HE22 GLN A 138 -8.243 6.171 -2.141 1.00 0.61 H new ATOM 2160 N GLU A 139 -4.011 9.203 -6.569 1.00 0.60 N ATOM 2161 CA GLU A 139 -3.701 9.280 -7.991 1.00 0.67 C ATOM 2162 C GLU A 139 -2.481 10.156 -8.239 1.00 0.64 C ATOM 2163 O GLU A 139 -1.593 9.796 -9.017 1.00 0.66 O ATOM 2164 CB GLU A 139 -4.887 9.843 -8.768 1.00 0.78 C ATOM 2165 CG GLU A 139 -6.128 8.970 -8.721 1.00 1.18 C ATOM 2166 CD GLU A 139 -7.189 9.436 -9.691 1.00 2.12 C ATOM 2167 OE1 GLU A 139 -6.952 9.362 -10.917 1.00 2.82 O ATOM 2168 OE2 GLU A 139 -8.265 9.886 -9.240 1.00 2.63 O1- ATOM 0 H GLU A 139 -4.881 9.664 -6.301 1.00 0.60 H new ATOM 0 HA GLU A 139 -3.487 8.268 -8.335 1.00 0.67 H new ATOM 0 HB2 GLU A 139 -5.133 10.828 -8.371 1.00 0.78 H new ATOM 0 HB3 GLU A 139 -4.593 9.983 -9.808 1.00 0.78 H new ATOM 0 HG2 GLU A 139 -5.855 7.940 -8.951 1.00 1.18 H new ATOM 0 HG3 GLU A 139 -6.535 8.974 -7.710 1.00 1.18 H new ATOM 2175 N LYS A 140 -2.439 11.299 -7.563 1.00 0.64 N ATOM 2176 CA LYS A 140 -1.344 12.245 -7.717 1.00 0.65 C ATOM 2177 C LYS A 140 -0.009 11.620 -7.333 1.00 0.63 C ATOM 2178 O LYS A 140 0.978 11.768 -8.050 1.00 0.64 O ATOM 2179 CB LYS A 140 -1.595 13.489 -6.868 1.00 0.71 C ATOM 2180 CG LYS A 140 -0.824 14.704 -7.350 1.00 0.85 C ATOM 2181 CD LYS A 140 -1.011 15.898 -6.435 1.00 1.16 C ATOM 2182 CE LYS A 140 -0.497 17.175 -7.084 1.00 1.57 C ATOM 2183 NZ LYS A 140 -1.219 17.480 -8.348 1.00 1.95 N1+ ATOM 0 H LYS A 140 -3.156 11.592 -6.900 1.00 0.64 H new ATOM 0 HA LYS A 140 -1.297 12.528 -8.769 1.00 0.65 H new ATOM 0 HB2 LYS A 140 -2.661 13.717 -6.874 1.00 0.71 H new ATOM 0 HB3 LYS A 140 -1.320 13.278 -5.835 1.00 0.71 H new ATOM 0 HG2 LYS A 140 0.236 14.459 -7.413 1.00 0.85 H new ATOM 0 HG3 LYS A 140 -1.151 14.964 -8.357 1.00 0.85 H new ATOM 0 HD2 LYS A 140 -2.067 16.011 -6.191 1.00 1.16 H new ATOM 0 HD3 LYS A 140 -0.484 15.726 -5.497 1.00 1.16 H new ATOM 0 HE2 LYS A 140 -0.612 18.007 -6.390 1.00 1.57 H new ATOM 0 HE3 LYS A 140 0.569 17.075 -7.289 1.00 1.57 H new ATOM 0 HZ1 LYS A 140 -1.143 18.496 -8.555 1.00 1.95 H new ATOM 0 HZ2 LYS A 140 -0.799 16.935 -9.128 1.00 1.95 H new ATOM 0 HZ3 LYS A 140 -2.221 17.222 -8.246 1.00 1.95 H new ATOM 2197 N ALA A 141 0.004 10.923 -6.204 1.00 0.62 N ATOM 2198 CA ALA A 141 1.212 10.277 -5.711 1.00 0.62 C ATOM 2199 C ALA A 141 1.761 9.280 -6.721 1.00 0.58 C ATOM 2200 O ALA A 141 2.934 9.340 -7.082 1.00 0.60 O ATOM 2201 CB ALA A 141 0.939 9.597 -4.375 1.00 0.65 C ATOM 0 H ALA A 141 -0.814 10.791 -5.610 1.00 0.62 H new ATOM 0 HA ALA A 141 1.970 11.046 -5.564 1.00 0.62 H new ATOM 0 HB1 ALA A 141 1.850 9.118 -4.018 1.00 0.65 H new ATOM 0 HB2 ALA A 141 0.611 10.341 -3.649 1.00 0.65 H new ATOM 0 HB3 ALA A 141 0.160 8.845 -4.502 1.00 0.65 H new ATOM 2207 N ALA A 142 0.904 8.387 -7.195 1.00 0.56 N ATOM 2208 CA ALA A 142 1.306 7.372 -8.158 1.00 0.54 C ATOM 2209 C ALA A 142 1.854 7.989 -9.441 1.00 0.57 C ATOM 2210 O ALA A 142 2.844 7.510 -9.999 1.00 0.61 O ATOM 2211 CB ALA A 142 0.124 6.469 -8.470 1.00 0.53 C ATOM 0 H ALA A 142 -0.079 8.345 -6.927 1.00 0.56 H new ATOM 0 HA ALA A 142 2.109 6.785 -7.713 1.00 0.54 H new ATOM 0 HB1 ALA A 142 0.427 5.710 -9.191 1.00 0.53 H new ATOM 0 HB2 ALA A 142 -0.216 5.985 -7.554 1.00 0.53 H new ATOM 0 HB3 ALA A 142 -0.688 7.064 -8.889 1.00 0.53 H new ATOM 2217 N ALA A 143 1.218 9.057 -9.895 1.00 0.58 N ATOM 2218 CA ALA A 143 1.634 9.723 -11.118 1.00 0.63 C ATOM 2219 C ALA A 143 2.957 10.462 -10.942 1.00 0.66 C ATOM 2220 O ALA A 143 3.872 10.318 -11.757 1.00 0.72 O ATOM 2221 CB ALA A 143 0.551 10.678 -11.582 1.00 0.69 C ATOM 0 H ALA A 143 0.412 9.481 -9.435 1.00 0.58 H new ATOM 0 HA ALA A 143 1.789 8.957 -11.878 1.00 0.63 H new ATOM 0 HB1 ALA A 143 0.871 11.173 -12.499 1.00 0.69 H new ATOM 0 HB2 ALA A 143 -0.368 10.122 -11.771 1.00 0.69 H new ATOM 0 HB3 ALA A 143 0.370 11.426 -10.810 1.00 0.69 H new ATOM 2227 N ASP A 144 3.064 11.222 -9.863 1.00 0.67 N ATOM 2228 CA ASP A 144 4.257 12.019 -9.587 1.00 0.71 C ATOM 2229 C ASP A 144 5.506 11.170 -9.378 1.00 0.72 C ATOM 2230 O ASP A 144 6.571 11.492 -9.907 1.00 0.79 O ATOM 2231 CB ASP A 144 4.026 12.902 -8.365 1.00 0.73 C ATOM 2232 CG ASP A 144 3.614 14.310 -8.740 1.00 0.85 C ATOM 2233 OD1 ASP A 144 2.935 14.488 -9.777 1.00 1.38 O1- ATOM 2234 OD2 ASP A 144 3.971 15.252 -8.004 1.00 1.39 O ATOM 0 H ASP A 144 2.334 11.306 -9.156 1.00 0.67 H new ATOM 0 HA ASP A 144 4.432 12.635 -10.469 1.00 0.71 H new ATOM 0 HB2 ASP A 144 3.254 12.455 -7.738 1.00 0.73 H new ATOM 0 HB3 ASP A 144 4.938 12.940 -7.770 1.00 0.73 H new ATOM 2239 N VAL A 145 5.381 10.080 -8.630 1.00 0.68 N ATOM 2240 CA VAL A 145 6.529 9.212 -8.354 1.00 0.70 C ATOM 2241 C VAL A 145 6.841 8.275 -9.517 1.00 0.70 C ATOM 2242 O VAL A 145 7.770 7.469 -9.431 1.00 0.75 O ATOM 2243 CB VAL A 145 6.311 8.359 -7.087 1.00 0.68 C ATOM 2244 CG1 VAL A 145 6.003 9.241 -5.890 1.00 1.34 C ATOM 2245 CG2 VAL A 145 5.207 7.332 -7.302 1.00 1.34 C ATOM 0 H VAL A 145 4.506 9.774 -8.205 1.00 0.68 H new ATOM 0 HA VAL A 145 7.373 9.885 -8.202 1.00 0.70 H new ATOM 0 HB VAL A 145 7.235 7.819 -6.882 1.00 0.68 H new ATOM 0 HG11 VAL A 145 5.853 8.618 -5.008 1.00 1.34 H new ATOM 0 HG12 VAL A 145 6.836 9.922 -5.716 1.00 1.34 H new ATOM 0 HG13 VAL A 145 5.098 9.817 -6.086 1.00 1.34 H new ATOM 0 HG21 VAL A 145 5.074 6.745 -6.393 1.00 1.34 H new ATOM 0 HG22 VAL A 145 4.275 7.844 -7.542 1.00 1.34 H new ATOM 0 HG23 VAL A 145 5.480 6.671 -8.125 1.00 1.34 H new ATOM 2255 N GLN A 146 6.068 8.389 -10.599 1.00 0.68 N ATOM 2256 CA GLN A 146 6.248 7.536 -11.774 1.00 0.71 C ATOM 2257 C GLN A 146 6.126 6.072 -11.366 1.00 0.63 C ATOM 2258 O GLN A 146 7.031 5.269 -11.601 1.00 0.69 O ATOM 2259 CB GLN A 146 7.606 7.790 -12.443 1.00 0.86 C ATOM 2260 CG GLN A 146 7.795 9.216 -12.935 1.00 1.03 C ATOM 2261 CD GLN A 146 9.023 9.369 -13.812 1.00 1.30 C ATOM 2262 OE1 GLN A 146 8.956 9.200 -15.032 1.00 1.61 O ATOM 2263 NE2 GLN A 146 10.149 9.698 -13.200 1.00 1.95 N ATOM 0 H GLN A 146 5.310 9.066 -10.685 1.00 0.68 H new ATOM 0 HA GLN A 146 5.470 7.778 -12.498 1.00 0.71 H new ATOM 0 HB2 GLN A 146 8.399 7.553 -11.734 1.00 0.86 H new ATOM 0 HB3 GLN A 146 7.718 7.108 -13.286 1.00 0.86 H new ATOM 0 HG2 GLN A 146 6.912 9.524 -13.495 1.00 1.03 H new ATOM 0 HG3 GLN A 146 7.879 9.885 -12.078 1.00 1.03 H new ATOM 0 HE21 GLN A 146 10.160 9.828 -12.188 1.00 1.95 H new ATOM 0 HE22 GLN A 146 11.006 9.821 -13.740 1.00 1.95 H new ATOM 2272 N LEU A 147 5.003 5.743 -10.742 1.00 0.55 N ATOM 2273 CA LEU A 147 4.752 4.388 -10.274 1.00 0.49 C ATOM 2274 C LEU A 147 4.739 3.397 -11.430 1.00 0.50 C ATOM 2275 O LEU A 147 3.879 3.451 -12.311 1.00 0.62 O ATOM 2276 CB LEU A 147 3.426 4.325 -9.515 1.00 0.51 C ATOM 2277 CG LEU A 147 3.224 3.067 -8.667 1.00 0.46 C ATOM 2278 CD1 LEU A 147 4.299 2.973 -7.595 1.00 0.71 C ATOM 2279 CD2 LEU A 147 1.841 3.066 -8.033 1.00 0.55 C ATOM 0 H LEU A 147 4.248 6.401 -10.548 1.00 0.55 H new ATOM 0 HA LEU A 147 5.563 4.112 -9.600 1.00 0.49 H new ATOM 0 HB2 LEU A 147 3.355 5.198 -8.866 1.00 0.51 H new ATOM 0 HB3 LEU A 147 2.610 4.395 -10.234 1.00 0.51 H new ATOM 0 HG LEU A 147 3.305 2.196 -9.318 1.00 0.46 H new ATOM 0 HD11 LEU A 147 4.142 2.073 -7.000 1.00 0.71 H new ATOM 0 HD12 LEU A 147 5.281 2.929 -8.067 1.00 0.71 H new ATOM 0 HD13 LEU A 147 4.246 3.849 -6.949 1.00 0.71 H new ATOM 0 HD21 LEU A 147 1.716 2.164 -7.434 1.00 0.55 H new ATOM 0 HD22 LEU A 147 1.733 3.943 -7.395 1.00 0.55 H new ATOM 0 HD23 LEU A 147 1.082 3.090 -8.815 1.00 0.55 H new ATOM 2291 N ARG A 148 5.712 2.501 -11.419 1.00 0.53 N ATOM 2292 CA ARG A 148 5.832 1.479 -12.446 1.00 0.64 C ATOM 2293 C ARG A 148 5.375 0.136 -11.896 1.00 0.61 C ATOM 2294 O ARG A 148 4.720 -0.645 -12.588 1.00 1.08 O ATOM 2295 CB ARG A 148 7.278 1.378 -12.934 1.00 0.84 C ATOM 2296 CG ARG A 148 7.849 2.697 -13.428 1.00 1.02 C ATOM 2297 CD ARG A 148 7.160 3.165 -14.700 1.00 1.75 C ATOM 2298 NE ARG A 148 7.428 2.267 -15.821 1.00 2.46 N ATOM 2299 CZ ARG A 148 8.347 2.496 -16.756 1.00 3.34 C ATOM 2300 NH1 ARG A 148 9.060 3.620 -16.738 1.00 3.78 N1+ ATOM 2301 NH2 ARG A 148 8.548 1.604 -17.716 1.00 4.16 N ATOM 0 H ARG A 148 6.437 2.461 -10.703 1.00 0.53 H new ATOM 0 HA ARG A 148 5.199 1.756 -13.289 1.00 0.64 H new ATOM 0 HB2 ARG A 148 7.901 1.004 -12.122 1.00 0.84 H new ATOM 0 HB3 ARG A 148 7.330 0.645 -13.739 1.00 0.84 H new ATOM 0 HG2 ARG A 148 7.737 3.455 -12.653 1.00 1.02 H new ATOM 0 HG3 ARG A 148 8.917 2.585 -13.613 1.00 1.02 H new ATOM 0 HD2 ARG A 148 6.085 3.225 -14.531 1.00 1.75 H new ATOM 0 HD3 ARG A 148 7.500 4.170 -14.949 1.00 1.75 H new ATOM 0 HE ARG A 148 6.877 1.412 -15.891 1.00 2.46 H new ATOM 0 HH11 ARG A 148 8.903 4.312 -16.005 1.00 3.78 H new ATOM 0 HH12 ARG A 148 9.763 3.790 -17.457 1.00 3.78 H new ATOM 0 HH21 ARG A 148 7.999 0.745 -17.737 1.00 4.16 H new ATOM 0 HH22 ARG A 148 9.252 1.777 -18.434 1.00 4.16 H new ATOM 2315 N GLY A 149 5.723 -0.115 -10.641 1.00 0.49 N ATOM 2316 CA GLY A 149 5.343 -1.351 -9.992 1.00 0.45 C ATOM 2317 C GLY A 149 4.218 -1.126 -9.011 1.00 0.42 C ATOM 2318 O GLY A 149 4.181 -0.094 -8.346 1.00 0.68 O ATOM 0 H GLY A 149 6.266 0.522 -10.058 1.00 0.49 H new ATOM 0 HA2 GLY A 149 5.035 -2.080 -10.742 1.00 0.45 H new ATOM 0 HA3 GLY A 149 6.204 -1.772 -9.473 1.00 0.45 H new ATOM 2322 N VAL A 150 3.300 -2.077 -8.929 1.00 0.31 N ATOM 2323 CA VAL A 150 2.163 -1.952 -8.026 1.00 0.32 C ATOM 2324 C VAL A 150 2.593 -2.065 -6.555 1.00 0.33 C ATOM 2325 O VAL A 150 2.343 -1.144 -5.785 1.00 0.38 O ATOM 2326 CB VAL A 150 1.049 -2.979 -8.340 1.00 0.38 C ATOM 2327 CG1 VAL A 150 -0.217 -2.670 -7.550 1.00 0.45 C ATOM 2328 CG2 VAL A 150 0.754 -2.997 -9.830 1.00 0.49 C ATOM 0 H VAL A 150 3.318 -2.940 -9.473 1.00 0.31 H new ATOM 0 HA VAL A 150 1.751 -0.956 -8.189 1.00 0.32 H new ATOM 0 HB VAL A 150 1.401 -3.966 -8.040 1.00 0.38 H new ATOM 0 HG11 VAL A 150 -0.984 -3.407 -7.789 1.00 0.45 H new ATOM 0 HG12 VAL A 150 0.002 -2.707 -6.483 1.00 0.45 H new ATOM 0 HG13 VAL A 150 -0.576 -1.675 -7.812 1.00 0.45 H new ATOM 0 HG21 VAL A 150 -0.032 -3.724 -10.037 1.00 0.49 H new ATOM 0 HG22 VAL A 150 0.425 -2.007 -10.148 1.00 0.49 H new ATOM 0 HG23 VAL A 150 1.656 -3.273 -10.376 1.00 0.49 H new ATOM 2338 N PRO A 151 3.274 -3.159 -6.137 1.00 0.35 N ATOM 2339 CA PRO A 151 3.695 -3.325 -4.741 1.00 0.41 C ATOM 2340 C PRO A 151 5.010 -2.604 -4.438 1.00 0.40 C ATOM 2341 O PRO A 151 6.011 -3.230 -4.078 1.00 0.56 O ATOM 2342 CB PRO A 151 3.874 -4.837 -4.634 1.00 0.50 C ATOM 2343 CG PRO A 151 4.347 -5.255 -5.984 1.00 0.53 C ATOM 2344 CD PRO A 151 3.715 -4.303 -6.970 1.00 0.37 C ATOM 0 HA PRO A 151 2.981 -2.904 -4.034 1.00 0.41 H new ATOM 0 HB2 PRO A 151 4.598 -5.097 -3.862 1.00 0.50 H new ATOM 0 HB3 PRO A 151 2.938 -5.330 -4.372 1.00 0.50 H new ATOM 0 HG2 PRO A 151 5.434 -5.212 -6.045 1.00 0.53 H new ATOM 0 HG3 PRO A 151 4.056 -6.284 -6.196 1.00 0.53 H new ATOM 0 HD2 PRO A 151 4.427 -3.989 -7.733 1.00 0.37 H new ATOM 0 HD3 PRO A 151 2.875 -4.766 -7.488 1.00 0.37 H new ATOM 2352 N ALA A 152 5.005 -1.288 -4.584 1.00 0.38 N ATOM 2353 CA ALA A 152 6.196 -0.494 -4.326 1.00 0.38 C ATOM 2354 C ALA A 152 5.985 0.443 -3.147 1.00 0.40 C ATOM 2355 O ALA A 152 4.873 0.915 -2.909 1.00 0.63 O ATOM 2356 CB ALA A 152 6.584 0.296 -5.564 1.00 0.40 C ATOM 0 H ALA A 152 4.191 -0.748 -4.879 1.00 0.38 H new ATOM 0 HA ALA A 152 7.008 -1.177 -4.075 1.00 0.38 H new ATOM 0 HB1 ALA A 152 7.477 0.885 -5.355 1.00 0.40 H new ATOM 0 HB2 ALA A 152 6.787 -0.391 -6.385 1.00 0.40 H new ATOM 0 HB3 ALA A 152 5.767 0.962 -5.842 1.00 0.40 H new ATOM 2362 N MET A 153 7.059 0.710 -2.415 1.00 0.32 N ATOM 2363 CA MET A 153 6.997 1.589 -1.258 1.00 0.31 C ATOM 2364 C MET A 153 7.962 2.755 -1.420 1.00 0.31 C ATOM 2365 O MET A 153 9.105 2.578 -1.844 1.00 0.34 O ATOM 2366 CB MET A 153 7.324 0.811 0.018 1.00 0.34 C ATOM 2367 CG MET A 153 7.013 1.570 1.297 1.00 0.35 C ATOM 2368 SD MET A 153 7.333 0.599 2.783 1.00 0.38 S ATOM 2369 CE MET A 153 6.096 -0.685 2.627 1.00 0.42 C ATOM 0 H MET A 153 7.986 0.328 -2.604 1.00 0.32 H new ATOM 0 HA MET A 153 5.984 1.984 -1.181 1.00 0.31 H new ATOM 0 HB2 MET A 153 6.763 -0.124 0.016 1.00 0.34 H new ATOM 0 HB3 MET A 153 8.382 0.548 0.011 1.00 0.34 H new ATOM 0 HG2 MET A 153 7.611 2.481 1.328 1.00 0.35 H new ATOM 0 HG3 MET A 153 5.967 1.876 1.287 1.00 0.35 H new ATOM 0 HE1 MET A 153 5.702 -0.932 3.613 1.00 0.42 H new ATOM 0 HE2 MET A 153 5.285 -0.333 1.989 1.00 0.42 H new ATOM 0 HE3 MET A 153 6.547 -1.573 2.184 1.00 0.42 H new ATOM 2379 N PHE A 154 7.487 3.943 -1.091 1.00 0.33 N ATOM 2380 CA PHE A 154 8.287 5.154 -1.183 1.00 0.36 C ATOM 2381 C PHE A 154 8.430 5.778 0.197 1.00 0.38 C ATOM 2382 O PHE A 154 7.437 6.104 0.846 1.00 0.43 O ATOM 2383 CB PHE A 154 7.637 6.159 -2.139 1.00 0.39 C ATOM 2384 CG PHE A 154 7.683 5.738 -3.582 1.00 0.39 C ATOM 2385 CD1 PHE A 154 6.820 4.766 -4.062 1.00 0.48 C ATOM 2386 CD2 PHE A 154 8.592 6.313 -4.456 1.00 0.45 C ATOM 2387 CE1 PHE A 154 6.864 4.373 -5.386 1.00 0.52 C ATOM 2388 CE2 PHE A 154 8.639 5.925 -5.783 1.00 0.48 C ATOM 2389 CZ PHE A 154 7.774 4.954 -6.248 1.00 0.48 C ATOM 0 H PHE A 154 6.537 4.097 -0.753 1.00 0.33 H new ATOM 0 HA PHE A 154 9.272 4.893 -1.570 1.00 0.36 H new ATOM 0 HB2 PHE A 154 6.598 6.306 -1.846 1.00 0.39 H new ATOM 0 HB3 PHE A 154 8.137 7.122 -2.035 1.00 0.39 H new ATOM 0 HD1 PHE A 154 6.105 4.310 -3.393 1.00 0.48 H new ATOM 0 HD2 PHE A 154 9.271 7.072 -4.097 1.00 0.45 H new ATOM 0 HE1 PHE A 154 6.188 3.612 -5.747 1.00 0.52 H new ATOM 0 HE2 PHE A 154 9.351 6.381 -6.455 1.00 0.48 H new ATOM 0 HZ PHE A 154 7.809 4.649 -7.284 1.00 0.48 H new ATOM 2399 N VAL A 155 9.663 5.940 0.640 1.00 0.40 N ATOM 2400 CA VAL A 155 9.926 6.520 1.943 1.00 0.43 C ATOM 2401 C VAL A 155 10.160 8.020 1.829 1.00 0.46 C ATOM 2402 O VAL A 155 11.058 8.465 1.102 1.00 0.48 O ATOM 2403 CB VAL A 155 11.141 5.865 2.629 1.00 0.47 C ATOM 2404 CG1 VAL A 155 11.374 6.480 4.002 1.00 0.55 C ATOM 2405 CG2 VAL A 155 10.941 4.363 2.743 1.00 0.47 C ATOM 0 H VAL A 155 10.498 5.678 0.116 1.00 0.40 H new ATOM 0 HA VAL A 155 9.044 6.334 2.556 1.00 0.43 H new ATOM 0 HB VAL A 155 12.024 6.049 2.017 1.00 0.47 H new ATOM 0 HG11 VAL A 155 12.236 6.006 4.472 1.00 0.55 H new ATOM 0 HG12 VAL A 155 11.562 7.548 3.895 1.00 0.55 H new ATOM 0 HG13 VAL A 155 10.492 6.327 4.624 1.00 0.55 H new ATOM 0 HG21 VAL A 155 11.808 3.916 3.230 1.00 0.47 H new ATOM 0 HG22 VAL A 155 10.048 4.159 3.334 1.00 0.47 H new ATOM 0 HG23 VAL A 155 10.823 3.935 1.747 1.00 0.47 H new ATOM 2415 N ASN A 156 9.316 8.781 2.526 1.00 0.49 N ATOM 2416 CA ASN A 156 9.380 10.245 2.559 1.00 0.55 C ATOM 2417 C ASN A 156 9.175 10.847 1.174 1.00 0.54 C ATOM 2418 O ASN A 156 9.420 12.035 0.961 1.00 0.58 O ATOM 2419 CB ASN A 156 10.717 10.703 3.146 1.00 0.61 C ATOM 2420 CG ASN A 156 10.818 10.431 4.635 1.00 0.86 C ATOM 2421 OD1 ASN A 156 9.876 10.672 5.390 1.00 1.16 O ATOM 2422 ND2 ASN A 156 11.956 9.909 5.068 1.00 1.01 N ATOM 0 H ASN A 156 8.559 8.395 3.091 1.00 0.49 H new ATOM 0 HA ASN A 156 8.570 10.600 3.197 1.00 0.55 H new ATOM 0 HB2 ASN A 156 11.531 10.193 2.630 1.00 0.61 H new ATOM 0 HB3 ASN A 156 10.844 11.770 2.965 1.00 0.61 H new ATOM 0 HD21 ASN A 156 12.074 9.693 6.058 1.00 1.01 H new ATOM 0 HD22 ASN A 156 12.714 9.723 4.412 1.00 1.01 H new ATOM 2429 N GLY A 157 8.702 10.023 0.243 1.00 0.51 N ATOM 2430 CA GLY A 157 8.484 10.472 -1.119 1.00 0.52 C ATOM 2431 C GLY A 157 9.784 10.844 -1.798 1.00 0.53 C ATOM 2432 O GLY A 157 9.803 11.653 -2.724 1.00 0.56 O ATOM 0 H GLY A 157 8.465 9.045 0.411 1.00 0.51 H new ATOM 0 HA2 GLY A 157 7.988 9.685 -1.687 1.00 0.52 H new ATOM 0 HA3 GLY A 157 7.815 11.333 -1.116 1.00 0.52 H new ATOM 2436 N LYS A 158 10.880 10.258 -1.321 1.00 0.52 N ATOM 2437 CA LYS A 158 12.197 10.547 -1.868 1.00 0.55 C ATOM 2438 C LYS A 158 12.961 9.268 -2.186 1.00 0.53 C ATOM 2439 O LYS A 158 13.604 9.159 -3.228 1.00 0.58 O ATOM 2440 CB LYS A 158 13.013 11.378 -0.865 1.00 0.61 C ATOM 2441 CG LYS A 158 12.435 12.752 -0.570 1.00 0.75 C ATOM 2442 CD LYS A 158 13.052 13.359 0.685 1.00 0.96 C ATOM 2443 CE LYS A 158 14.573 13.342 0.633 1.00 1.30 C ATOM 2444 NZ LYS A 158 15.178 14.061 1.782 1.00 1.75 N1+ ATOM 0 H LYS A 158 10.879 9.581 -0.558 1.00 0.52 H new ATOM 0 HA LYS A 158 12.054 11.108 -2.792 1.00 0.55 H new ATOM 0 HB2 LYS A 158 13.092 10.822 0.069 1.00 0.61 H new ATOM 0 HB3 LYS A 158 14.025 11.498 -1.250 1.00 0.61 H new ATOM 0 HG2 LYS A 158 12.611 13.412 -1.419 1.00 0.75 H new ATOM 0 HG3 LYS A 158 11.355 12.675 -0.445 1.00 0.75 H new ATOM 0 HD2 LYS A 158 12.704 14.385 0.801 1.00 0.96 H new ATOM 0 HD3 LYS A 158 12.712 12.806 1.561 1.00 0.96 H new ATOM 0 HE2 LYS A 158 14.924 12.310 0.626 1.00 1.30 H new ATOM 0 HE3 LYS A 158 14.909 13.799 -0.298 1.00 1.30 H new ATOM 0 HZ1 LYS A 158 16.215 14.025 1.707 1.00 1.75 H new ATOM 0 HZ2 LYS A 158 14.865 15.053 1.775 1.00 1.75 H new ATOM 0 HZ3 LYS A 158 14.879 13.610 2.670 1.00 1.75 H new ATOM 2458 N TYR A 159 12.896 8.303 -1.284 1.00 0.50 N ATOM 2459 CA TYR A 159 13.616 7.050 -1.461 1.00 0.49 C ATOM 2460 C TYR A 159 12.673 5.916 -1.829 1.00 0.44 C ATOM 2461 O TYR A 159 11.749 5.598 -1.080 1.00 0.45 O ATOM 2462 CB TYR A 159 14.379 6.697 -0.178 1.00 0.53 C ATOM 2463 CG TYR A 159 15.105 7.869 0.446 1.00 0.63 C ATOM 2464 CD1 TYR A 159 16.363 8.247 -0.002 1.00 0.75 C ATOM 2465 CD2 TYR A 159 14.532 8.597 1.483 1.00 0.73 C ATOM 2466 CE1 TYR A 159 17.029 9.318 0.565 1.00 0.92 C ATOM 2467 CE2 TYR A 159 15.191 9.668 2.054 1.00 0.89 C ATOM 2468 CZ TYR A 159 16.440 10.026 1.593 1.00 0.96 C ATOM 2469 OH TYR A 159 17.095 11.095 2.159 1.00 1.16 O ATOM 0 H TYR A 159 12.353 8.362 -0.422 1.00 0.50 H new ATOM 0 HA TYR A 159 14.323 7.182 -2.280 1.00 0.49 H new ATOM 0 HB2 TYR A 159 13.678 6.288 0.549 1.00 0.53 H new ATOM 0 HB3 TYR A 159 15.101 5.912 -0.401 1.00 0.53 H new ATOM 0 HD1 TYR A 159 16.829 7.696 -0.806 1.00 0.75 H new ATOM 0 HD2 TYR A 159 13.554 8.320 1.848 1.00 0.73 H new ATOM 0 HE1 TYR A 159 18.007 9.600 0.204 1.00 0.92 H new ATOM 0 HE2 TYR A 159 14.730 10.223 2.858 1.00 0.89 H new ATOM 0 HH TYR A 159 16.539 11.481 2.868 1.00 1.16 H new ATOM 2479 N GLN A 160 12.904 5.313 -2.983 1.00 0.43 N ATOM 2480 CA GLN A 160 12.085 4.198 -3.441 1.00 0.40 C ATOM 2481 C GLN A 160 12.841 2.890 -3.230 1.00 0.40 C ATOM 2482 O GLN A 160 14.020 2.792 -3.572 1.00 0.46 O ATOM 2483 CB GLN A 160 11.732 4.354 -4.921 1.00 0.44 C ATOM 2484 CG GLN A 160 11.049 3.125 -5.515 1.00 0.48 C ATOM 2485 CD GLN A 160 10.920 3.196 -7.023 1.00 0.72 C ATOM 2486 OE1 GLN A 160 11.714 3.849 -7.694 1.00 0.98 O ATOM 2487 NE2 GLN A 160 9.928 2.509 -7.565 1.00 0.91 N ATOM 0 H GLN A 160 13.653 5.576 -3.623 1.00 0.43 H new ATOM 0 HA GLN A 160 11.160 4.187 -2.865 1.00 0.40 H new ATOM 0 HB2 GLN A 160 11.078 5.218 -5.042 1.00 0.44 H new ATOM 0 HB3 GLN A 160 12.642 4.562 -5.484 1.00 0.44 H new ATOM 0 HG2 GLN A 160 11.616 2.234 -5.245 1.00 0.48 H new ATOM 0 HG3 GLN A 160 10.058 3.018 -5.075 1.00 0.48 H new ATOM 0 HE21 GLN A 160 9.290 1.979 -6.971 1.00 0.91 H new ATOM 0 HE22 GLN A 160 9.801 2.509 -8.577 1.00 0.91 H new ATOM 2496 N LEU A 161 12.176 1.896 -2.660 1.00 0.39 N ATOM 2497 CA LEU A 161 12.807 0.608 -2.415 1.00 0.40 C ATOM 2498 C LEU A 161 12.822 -0.233 -3.686 1.00 0.37 C ATOM 2499 O LEU A 161 11.875 -0.209 -4.472 1.00 0.37 O ATOM 2500 CB LEU A 161 12.085 -0.142 -1.294 1.00 0.45 C ATOM 2501 CG LEU A 161 12.367 0.373 0.123 1.00 0.51 C ATOM 2502 CD1 LEU A 161 11.409 1.496 0.494 1.00 1.13 C ATOM 2503 CD2 LEU A 161 12.282 -0.761 1.137 1.00 1.20 C ATOM 0 H LEU A 161 11.203 1.956 -2.359 1.00 0.39 H new ATOM 0 HA LEU A 161 13.836 0.788 -2.105 1.00 0.40 H new ATOM 0 HB2 LEU A 161 11.012 -0.089 -1.476 1.00 0.45 H new ATOM 0 HB3 LEU A 161 12.365 -1.194 -1.343 1.00 0.45 H new ATOM 0 HG LEU A 161 13.381 0.772 0.140 1.00 0.51 H new ATOM 0 HD11 LEU A 161 11.630 1.844 1.503 1.00 1.13 H new ATOM 0 HD12 LEU A 161 11.527 2.321 -0.208 1.00 1.13 H new ATOM 0 HD13 LEU A 161 10.384 1.128 0.453 1.00 1.13 H new ATOM 0 HD21 LEU A 161 12.486 -0.373 2.135 1.00 1.20 H new ATOM 0 HD22 LEU A 161 11.283 -1.196 1.114 1.00 1.20 H new ATOM 0 HD23 LEU A 161 13.017 -1.527 0.889 1.00 1.20 H new ATOM 2515 N ASN A 162 13.900 -0.981 -3.875 1.00 0.40 N ATOM 2516 CA ASN A 162 14.049 -1.826 -5.049 1.00 0.41 C ATOM 2517 C ASN A 162 14.187 -3.290 -4.630 1.00 0.41 C ATOM 2518 O ASN A 162 15.281 -3.748 -4.304 1.00 0.45 O ATOM 2519 CB ASN A 162 15.277 -1.390 -5.857 1.00 0.50 C ATOM 2520 CG ASN A 162 15.490 -2.231 -7.106 1.00 0.56 C ATOM 2521 OD1 ASN A 162 14.539 -2.617 -7.787 1.00 0.62 O ATOM 2522 ND2 ASN A 162 16.746 -2.522 -7.410 1.00 0.72 N ATOM 0 H ASN A 162 14.687 -1.019 -3.227 1.00 0.40 H new ATOM 0 HA ASN A 162 13.161 -1.722 -5.673 1.00 0.41 H new ATOM 0 HB2 ASN A 162 15.165 -0.344 -6.143 1.00 0.50 H new ATOM 0 HB3 ASN A 162 16.163 -1.454 -5.226 1.00 0.50 H new ATOM 0 HD21 ASN A 162 16.954 -3.085 -8.235 1.00 0.72 H new ATOM 0 HD22 ASN A 162 17.505 -2.183 -6.820 1.00 0.72 H new ATOM 2529 N PRO A 163 13.076 -4.047 -4.627 1.00 0.41 N ATOM 2530 CA PRO A 163 13.094 -5.465 -4.236 1.00 0.43 C ATOM 2531 C PRO A 163 13.894 -6.331 -5.205 1.00 0.45 C ATOM 2532 O PRO A 163 14.422 -7.377 -4.829 1.00 0.52 O ATOM 2533 CB PRO A 163 11.617 -5.864 -4.255 1.00 0.46 C ATOM 2534 CG PRO A 163 10.942 -4.868 -5.129 1.00 0.54 C ATOM 2535 CD PRO A 163 11.722 -3.589 -4.998 1.00 0.43 C ATOM 0 HA PRO A 163 13.574 -5.609 -3.268 1.00 0.43 H new ATOM 0 HB2 PRO A 163 11.490 -6.875 -4.642 1.00 0.46 H new ATOM 0 HB3 PRO A 163 11.195 -5.852 -3.250 1.00 0.46 H new ATOM 0 HG2 PRO A 163 10.925 -5.208 -6.164 1.00 0.54 H new ATOM 0 HG3 PRO A 163 9.905 -4.724 -4.824 1.00 0.54 H new ATOM 0 HD2 PRO A 163 11.730 -3.027 -5.932 1.00 0.43 H new ATOM 0 HD3 PRO A 163 11.297 -2.936 -4.236 1.00 0.43 H new ATOM 2543 N GLN A 164 13.999 -5.876 -6.450 1.00 0.48 N ATOM 2544 CA GLN A 164 14.734 -6.610 -7.477 1.00 0.53 C ATOM 2545 C GLN A 164 16.239 -6.533 -7.225 1.00 0.54 C ATOM 2546 O GLN A 164 17.016 -7.284 -7.812 1.00 0.68 O ATOM 2547 CB GLN A 164 14.410 -6.062 -8.872 1.00 0.62 C ATOM 2548 CG GLN A 164 13.026 -6.450 -9.384 1.00 0.86 C ATOM 2549 CD GLN A 164 11.909 -5.658 -8.728 1.00 1.41 C ATOM 2550 OE1 GLN A 164 12.121 -4.544 -8.250 1.00 2.22 O ATOM 2551 NE2 GLN A 164 10.709 -6.214 -8.722 1.00 1.82 N ATOM 0 H GLN A 164 13.584 -5.002 -6.773 1.00 0.48 H new ATOM 0 HA GLN A 164 14.424 -7.654 -7.429 1.00 0.53 H new ATOM 0 HB2 GLN A 164 14.487 -4.975 -8.851 1.00 0.62 H new ATOM 0 HB3 GLN A 164 15.161 -6.421 -9.576 1.00 0.62 H new ATOM 0 HG2 GLN A 164 12.987 -6.298 -10.463 1.00 0.86 H new ATOM 0 HG3 GLN A 164 12.863 -7.513 -9.206 1.00 0.86 H new ATOM 0 HE21 GLN A 164 10.574 -7.140 -9.128 1.00 1.82 H new ATOM 0 HE22 GLN A 164 9.919 -5.717 -8.311 1.00 1.82 H new ATOM 2560 N GLY A 165 16.645 -5.626 -6.345 1.00 0.51 N ATOM 2561 CA GLY A 165 18.050 -5.470 -6.036 1.00 0.54 C ATOM 2562 C GLY A 165 18.426 -6.112 -4.714 1.00 0.50 C ATOM 2563 O GLY A 165 19.588 -6.077 -4.308 1.00 0.59 O ATOM 0 H GLY A 165 16.023 -4.995 -5.840 1.00 0.51 H new ATOM 0 HA2 GLY A 165 18.646 -5.912 -6.834 1.00 0.54 H new ATOM 0 HA3 GLY A 165 18.297 -4.409 -6.005 1.00 0.54 H new ATOM 2567 N MET A 166 17.445 -6.713 -4.054 1.00 0.45 N ATOM 2568 CA MET A 166 17.668 -7.362 -2.765 1.00 0.45 C ATOM 2569 C MET A 166 17.865 -8.862 -2.951 1.00 0.48 C ATOM 2570 O MET A 166 17.973 -9.346 -4.079 1.00 0.57 O ATOM 2571 CB MET A 166 16.490 -7.091 -1.822 1.00 0.43 C ATOM 2572 CG MET A 166 16.297 -5.620 -1.494 1.00 0.43 C ATOM 2573 SD MET A 166 14.918 -5.336 -0.367 1.00 0.48 S ATOM 2574 CE MET A 166 15.033 -3.564 -0.141 1.00 0.49 C ATOM 0 H MET A 166 16.483 -6.766 -4.390 1.00 0.45 H new ATOM 0 HA MET A 166 18.573 -6.947 -2.320 1.00 0.45 H new ATOM 0 HB2 MET A 166 15.577 -7.476 -2.276 1.00 0.43 H new ATOM 0 HB3 MET A 166 16.643 -7.644 -0.895 1.00 0.43 H new ATOM 0 HG2 MET A 166 17.212 -5.228 -1.049 1.00 0.43 H new ATOM 0 HG3 MET A 166 16.128 -5.065 -2.417 1.00 0.43 H new ATOM 0 HE1 MET A 166 15.104 -3.337 0.923 1.00 0.49 H new ATOM 0 HE2 MET A 166 15.920 -3.189 -0.652 1.00 0.49 H new ATOM 0 HE3 MET A 166 14.146 -3.086 -0.556 1.00 0.49 H new ATOM 2584 N ASP A 167 17.919 -9.596 -1.843 1.00 0.55 N ATOM 2585 CA ASP A 167 18.103 -11.042 -1.893 1.00 0.62 C ATOM 2586 C ASP A 167 16.863 -11.717 -2.460 1.00 0.62 C ATOM 2587 O ASP A 167 15.771 -11.584 -1.916 1.00 0.79 O ATOM 2588 CB ASP A 167 18.404 -11.602 -0.499 1.00 0.80 C ATOM 2589 CG ASP A 167 19.004 -12.994 -0.551 1.00 0.94 C ATOM 2590 OD1 ASP A 167 18.296 -13.948 -0.951 1.00 1.38 O ATOM 2591 OD2 ASP A 167 20.196 -13.140 -0.194 1.00 1.54 O1- ATOM 0 H ASP A 167 17.838 -9.213 -0.901 1.00 0.55 H new ATOM 0 HA ASP A 167 18.952 -11.250 -2.544 1.00 0.62 H new ATOM 0 HB2 ASP A 167 19.091 -10.932 0.018 1.00 0.80 H new ATOM 0 HB3 ASP A 167 17.484 -11.628 0.085 1.00 0.80 H new ATOM 2596 N THR A 168 17.035 -12.431 -3.557 1.00 0.67 N ATOM 2597 CA THR A 168 15.927 -13.122 -4.186 1.00 0.79 C ATOM 2598 C THR A 168 16.121 -14.633 -4.112 1.00 0.86 C ATOM 2599 O THR A 168 15.451 -15.396 -4.809 1.00 1.04 O ATOM 2600 CB THR A 168 15.771 -12.679 -5.653 1.00 0.92 C ATOM 2601 OG1 THR A 168 16.326 -11.366 -5.810 1.00 1.03 O ATOM 2602 CG2 THR A 168 14.307 -12.662 -6.062 1.00 1.16 C ATOM 0 H THR A 168 17.931 -12.547 -4.030 1.00 0.67 H new ATOM 0 HA THR A 168 15.017 -12.861 -3.645 1.00 0.79 H new ATOM 0 HB THR A 168 16.298 -13.389 -6.290 1.00 0.92 H new ATOM 0 HG1 THR A 168 16.231 -11.080 -6.742 1.00 1.03 H new ATOM 0 HG21 THR A 168 14.223 -12.346 -7.102 1.00 1.16 H new ATOM 0 HG22 THR A 168 13.887 -13.662 -5.952 1.00 1.16 H new ATOM 0 HG23 THR A 168 13.760 -11.966 -5.426 1.00 1.16 H new ATOM 2610 N SER A 169 17.031 -15.065 -3.248 1.00 0.82 N ATOM 2611 CA SER A 169 17.310 -16.482 -3.089 1.00 0.89 C ATOM 2612 C SER A 169 16.648 -17.024 -1.826 1.00 0.80 C ATOM 2613 O SER A 169 16.096 -18.129 -1.825 1.00 0.93 O ATOM 2614 CB SER A 169 18.823 -16.732 -3.054 1.00 1.01 C ATOM 2615 OG SER A 169 19.277 -17.328 -4.259 1.00 1.53 O ATOM 0 H SER A 169 17.586 -14.454 -2.649 1.00 0.82 H new ATOM 0 HA SER A 169 16.893 -17.011 -3.946 1.00 0.89 H new ATOM 0 HB2 SER A 169 19.346 -15.789 -2.893 1.00 1.01 H new ATOM 0 HB3 SER A 169 19.067 -17.379 -2.212 1.00 1.01 H new ATOM 0 HG SER A 169 20.245 -17.474 -4.208 1.00 1.53 H new ATOM 2621 N ASN A 170 16.688 -16.249 -0.755 1.00 0.68 N ATOM 2622 CA ASN A 170 16.095 -16.676 0.503 1.00 0.69 C ATOM 2623 C ASN A 170 15.032 -15.687 0.965 1.00 0.63 C ATOM 2624 O ASN A 170 15.333 -14.525 1.251 1.00 0.60 O ATOM 2625 CB ASN A 170 17.178 -16.835 1.571 1.00 0.80 C ATOM 2626 CG ASN A 170 16.684 -17.575 2.800 1.00 0.91 C ATOM 2627 OD1 ASN A 170 15.740 -18.363 2.730 1.00 1.21 O ATOM 2628 ND2 ASN A 170 17.324 -17.341 3.938 1.00 1.14 N ATOM 0 H ASN A 170 17.122 -15.326 -0.730 1.00 0.68 H new ATOM 0 HA ASN A 170 15.614 -17.641 0.345 1.00 0.69 H new ATOM 0 HB2 ASN A 170 18.026 -17.371 1.145 1.00 0.80 H new ATOM 0 HB3 ASN A 170 17.539 -15.850 1.866 1.00 0.80 H new ATOM 0 HD21 ASN A 170 17.038 -17.820 4.792 1.00 1.14 H new ATOM 0 HD22 ASN A 170 18.102 -16.682 3.959 1.00 1.14 H new ATOM 2635 N MET A 171 13.791 -16.164 1.040 1.00 0.67 N ATOM 2636 CA MET A 171 12.654 -15.340 1.460 1.00 0.66 C ATOM 2637 C MET A 171 12.892 -14.693 2.819 1.00 0.59 C ATOM 2638 O MET A 171 12.555 -13.528 3.024 1.00 0.55 O ATOM 2639 CB MET A 171 11.375 -16.179 1.525 1.00 0.78 C ATOM 2640 CG MET A 171 10.699 -16.390 0.181 1.00 0.95 C ATOM 2641 SD MET A 171 11.556 -17.582 -0.866 1.00 1.54 S ATOM 2642 CE MET A 171 10.292 -17.900 -2.098 1.00 1.96 C ATOM 0 H MET A 171 13.544 -17.127 0.813 1.00 0.67 H new ATOM 0 HA MET A 171 12.543 -14.552 0.715 1.00 0.66 H new ATOM 0 HB2 MET A 171 11.613 -17.152 1.956 1.00 0.78 H new ATOM 0 HB3 MET A 171 10.670 -15.695 2.201 1.00 0.78 H new ATOM 0 HG2 MET A 171 9.676 -16.730 0.345 1.00 0.95 H new ATOM 0 HG3 MET A 171 10.638 -15.435 -0.341 1.00 0.95 H new ATOM 0 HE1 MET A 171 10.695 -18.552 -2.873 1.00 1.96 H new ATOM 0 HE2 MET A 171 9.437 -18.383 -1.626 1.00 1.96 H new ATOM 0 HE3 MET A 171 9.975 -16.958 -2.545 1.00 1.96 H new ATOM 2652 N ASP A 172 13.463 -15.461 3.743 1.00 0.63 N ATOM 2653 CA ASP A 172 13.752 -14.978 5.098 1.00 0.62 C ATOM 2654 C ASP A 172 14.538 -13.672 5.068 1.00 0.54 C ATOM 2655 O ASP A 172 14.254 -12.739 5.821 1.00 0.57 O ATOM 2656 CB ASP A 172 14.558 -16.024 5.871 1.00 0.70 C ATOM 2657 CG ASP A 172 13.695 -16.916 6.741 1.00 1.26 C ATOM 2658 OD1 ASP A 172 13.140 -17.911 6.224 1.00 2.05 O1- ATOM 2659 OD2 ASP A 172 13.587 -16.642 7.956 1.00 1.82 O ATOM 0 H ASP A 172 13.738 -16.429 3.580 1.00 0.63 H new ATOM 0 HA ASP A 172 12.797 -14.802 5.593 1.00 0.62 H new ATOM 0 HB2 ASP A 172 15.112 -16.642 5.164 1.00 0.70 H new ATOM 0 HB3 ASP A 172 15.293 -15.518 6.497 1.00 0.70 H new ATOM 2664 N VAL A 173 15.524 -13.617 4.189 1.00 0.51 N ATOM 2665 CA VAL A 173 16.364 -12.442 4.061 1.00 0.49 C ATOM 2666 C VAL A 173 15.623 -11.309 3.360 1.00 0.42 C ATOM 2667 O VAL A 173 15.659 -10.169 3.814 1.00 0.43 O ATOM 2668 CB VAL A 173 17.665 -12.759 3.295 1.00 0.55 C ATOM 2669 CG1 VAL A 173 18.599 -11.561 3.294 1.00 0.58 C ATOM 2670 CG2 VAL A 173 18.362 -13.966 3.897 1.00 0.65 C ATOM 0 H VAL A 173 15.762 -14.377 3.551 1.00 0.51 H new ATOM 0 HA VAL A 173 16.622 -12.125 5.071 1.00 0.49 H new ATOM 0 HB VAL A 173 17.398 -12.989 2.263 1.00 0.55 H new ATOM 0 HG11 VAL A 173 19.509 -11.810 2.748 1.00 0.58 H new ATOM 0 HG12 VAL A 173 18.106 -10.716 2.813 1.00 0.58 H new ATOM 0 HG13 VAL A 173 18.853 -11.297 4.321 1.00 0.58 H new ATOM 0 HG21 VAL A 173 19.277 -14.172 3.342 1.00 0.65 H new ATOM 0 HG22 VAL A 173 18.608 -13.762 4.939 1.00 0.65 H new ATOM 0 HG23 VAL A 173 17.702 -14.832 3.843 1.00 0.65 H new ATOM 2680 N PHE A 174 14.937 -11.639 2.267 1.00 0.42 N ATOM 2681 CA PHE A 174 14.182 -10.656 1.486 1.00 0.38 C ATOM 2682 C PHE A 174 13.174 -9.908 2.355 1.00 0.35 C ATOM 2683 O PHE A 174 13.145 -8.676 2.363 1.00 0.35 O ATOM 2684 CB PHE A 174 13.462 -11.348 0.321 1.00 0.41 C ATOM 2685 CG PHE A 174 12.630 -10.416 -0.518 1.00 0.39 C ATOM 2686 CD1 PHE A 174 13.233 -9.504 -1.371 1.00 0.42 C ATOM 2687 CD2 PHE A 174 11.245 -10.447 -0.449 1.00 0.44 C ATOM 2688 CE1 PHE A 174 12.469 -8.641 -2.135 1.00 0.45 C ATOM 2689 CE2 PHE A 174 10.480 -9.584 -1.212 1.00 0.47 C ATOM 2690 CZ PHE A 174 11.092 -8.680 -2.054 1.00 0.45 C ATOM 0 H PHE A 174 14.888 -12.589 1.898 1.00 0.42 H new ATOM 0 HA PHE A 174 14.890 -9.928 1.091 1.00 0.38 H new ATOM 0 HB2 PHE A 174 14.203 -11.832 -0.316 1.00 0.41 H new ATOM 0 HB3 PHE A 174 12.821 -12.135 0.718 1.00 0.41 H new ATOM 0 HD1 PHE A 174 14.310 -9.467 -1.439 1.00 0.42 H new ATOM 0 HD2 PHE A 174 10.759 -11.153 0.208 1.00 0.44 H new ATOM 0 HE1 PHE A 174 12.951 -7.936 -2.796 1.00 0.45 H new ATOM 0 HE2 PHE A 174 9.402 -9.618 -1.148 1.00 0.47 H new ATOM 0 HZ PHE A 174 10.495 -8.004 -2.649 1.00 0.45 H new ATOM 2700 N VAL A 175 12.373 -10.660 3.104 1.00 0.37 N ATOM 2701 CA VAL A 175 11.358 -10.074 3.972 1.00 0.37 C ATOM 2702 C VAL A 175 11.973 -9.097 4.973 1.00 0.35 C ATOM 2703 O VAL A 175 11.508 -7.964 5.113 1.00 0.36 O ATOM 2704 CB VAL A 175 10.579 -11.170 4.736 1.00 0.41 C ATOM 2705 CG1 VAL A 175 9.666 -10.565 5.797 1.00 0.48 C ATOM 2706 CG2 VAL A 175 9.774 -12.021 3.766 1.00 0.45 C ATOM 0 H VAL A 175 12.408 -11.679 3.127 1.00 0.37 H new ATOM 0 HA VAL A 175 10.668 -9.527 3.329 1.00 0.37 H new ATOM 0 HB VAL A 175 11.305 -11.805 5.243 1.00 0.41 H new ATOM 0 HG11 VAL A 175 9.133 -11.362 6.316 1.00 0.48 H new ATOM 0 HG12 VAL A 175 10.264 -10.002 6.514 1.00 0.48 H new ATOM 0 HG13 VAL A 175 8.947 -9.898 5.321 1.00 0.48 H new ATOM 0 HG21 VAL A 175 9.231 -12.788 4.319 1.00 0.45 H new ATOM 0 HG22 VAL A 175 9.065 -11.390 3.230 1.00 0.45 H new ATOM 0 HG23 VAL A 175 10.448 -12.496 3.053 1.00 0.45 H new ATOM 2716 N GLN A 176 13.030 -9.531 5.652 1.00 0.37 N ATOM 2717 CA GLN A 176 13.688 -8.690 6.643 1.00 0.39 C ATOM 2718 C GLN A 176 14.405 -7.513 5.993 1.00 0.38 C ATOM 2719 O GLN A 176 14.286 -6.384 6.464 1.00 0.40 O ATOM 2720 CB GLN A 176 14.674 -9.507 7.482 1.00 0.44 C ATOM 2721 CG GLN A 176 14.014 -10.347 8.570 1.00 0.64 C ATOM 2722 CD GLN A 176 13.070 -9.550 9.447 1.00 0.81 C ATOM 2723 OE1 GLN A 176 13.492 -8.858 10.376 1.00 1.70 O ATOM 2724 NE2 GLN A 176 11.780 -9.673 9.183 1.00 1.11 N ATOM 0 H GLN A 176 13.447 -10.455 5.535 1.00 0.37 H new ATOM 0 HA GLN A 176 12.912 -8.294 7.297 1.00 0.39 H new ATOM 0 HB2 GLN A 176 15.239 -10.165 6.822 1.00 0.44 H new ATOM 0 HB3 GLN A 176 15.390 -8.829 7.945 1.00 0.44 H new ATOM 0 HG2 GLN A 176 13.464 -11.166 8.105 1.00 0.64 H new ATOM 0 HG3 GLN A 176 14.787 -10.796 9.193 1.00 0.64 H new ATOM 0 HE21 GLN A 176 11.472 -10.256 8.405 1.00 1.11 H new ATOM 0 HE22 GLN A 176 11.093 -9.185 9.758 1.00 1.11 H new ATOM 2733 N GLN A 177 15.130 -7.772 4.908 1.00 0.37 N ATOM 2734 CA GLN A 177 15.877 -6.726 4.209 1.00 0.39 C ATOM 2735 C GLN A 177 14.962 -5.586 3.774 1.00 0.37 C ATOM 2736 O GLN A 177 15.277 -4.413 3.989 1.00 0.39 O ATOM 2737 CB GLN A 177 16.599 -7.305 2.987 1.00 0.42 C ATOM 2738 CG GLN A 177 18.113 -7.162 3.046 1.00 0.56 C ATOM 2739 CD GLN A 177 18.800 -7.543 1.744 1.00 0.58 C ATOM 2740 OE1 GLN A 177 18.304 -8.365 0.973 1.00 1.02 O ATOM 2741 NE2 GLN A 177 19.955 -6.947 1.492 1.00 1.32 N ATOM 0 H GLN A 177 15.217 -8.699 4.492 1.00 0.37 H new ATOM 0 HA GLN A 177 16.614 -6.328 4.906 1.00 0.39 H new ATOM 0 HB2 GLN A 177 16.346 -8.361 2.893 1.00 0.42 H new ATOM 0 HB3 GLN A 177 16.231 -6.808 2.089 1.00 0.42 H new ATOM 0 HG2 GLN A 177 18.365 -6.131 3.295 1.00 0.56 H new ATOM 0 HG3 GLN A 177 18.500 -7.788 3.850 1.00 0.56 H new ATOM 0 HE21 GLN A 177 20.335 -6.271 2.154 1.00 1.32 H new ATOM 0 HE22 GLN A 177 20.465 -7.164 0.635 1.00 1.32 H new ATOM 2750 N TYR A 178 13.828 -5.930 3.175 1.00 0.36 N ATOM 2751 CA TYR A 178 12.875 -4.931 2.708 1.00 0.36 C ATOM 2752 C TYR A 178 12.391 -4.054 3.861 1.00 0.36 C ATOM 2753 O TYR A 178 12.500 -2.828 3.810 1.00 0.39 O ATOM 2754 CB TYR A 178 11.684 -5.610 2.024 1.00 0.37 C ATOM 2755 CG TYR A 178 10.939 -4.713 1.050 1.00 0.36 C ATOM 2756 CD1 TYR A 178 9.961 -3.828 1.492 1.00 0.40 C ATOM 2757 CD2 TYR A 178 11.216 -4.753 -0.313 1.00 0.44 C ATOM 2758 CE1 TYR A 178 9.284 -3.009 0.604 1.00 0.42 C ATOM 2759 CE2 TYR A 178 10.547 -3.937 -1.204 1.00 0.46 C ATOM 2760 CZ TYR A 178 9.582 -3.068 -0.742 1.00 0.40 C ATOM 2761 OH TYR A 178 8.908 -2.260 -1.629 1.00 0.45 O ATOM 0 H TYR A 178 13.546 -6.895 3.001 1.00 0.36 H new ATOM 0 HA TYR A 178 13.382 -4.293 1.984 1.00 0.36 H new ATOM 0 HB2 TYR A 178 12.038 -6.493 1.491 1.00 0.37 H new ATOM 0 HB3 TYR A 178 10.988 -5.957 2.788 1.00 0.37 H new ATOM 0 HD1 TYR A 178 9.726 -3.779 2.545 1.00 0.40 H new ATOM 0 HD2 TYR A 178 11.968 -5.435 -0.681 1.00 0.44 H new ATOM 0 HE1 TYR A 178 8.527 -2.328 0.963 1.00 0.42 H new ATOM 0 HE2 TYR A 178 10.779 -3.980 -2.258 1.00 0.46 H new ATOM 0 HH TYR A 178 9.238 -2.424 -2.537 1.00 0.45 H new ATOM 2771 N ALA A 179 11.884 -4.692 4.908 1.00 0.35 N ATOM 2772 CA ALA A 179 11.366 -3.974 6.065 1.00 0.37 C ATOM 2773 C ALA A 179 12.464 -3.197 6.805 1.00 0.39 C ATOM 2774 O ALA A 179 12.231 -2.088 7.289 1.00 0.43 O ATOM 2775 CB ALA A 179 10.661 -4.945 7.003 1.00 0.39 C ATOM 0 H ALA A 179 11.820 -5.707 4.980 1.00 0.35 H new ATOM 0 HA ALA A 179 10.648 -3.237 5.706 1.00 0.37 H new ATOM 0 HB1 ALA A 179 10.276 -4.402 7.866 1.00 0.39 H new ATOM 0 HB2 ALA A 179 9.835 -5.424 6.477 1.00 0.39 H new ATOM 0 HB3 ALA A 179 11.367 -5.705 7.338 1.00 0.39 H new ATOM 2781 N ASP A 180 13.660 -3.773 6.889 1.00 0.39 N ATOM 2782 CA ASP A 180 14.775 -3.122 7.578 1.00 0.44 C ATOM 2783 C ASP A 180 15.219 -1.882 6.824 1.00 0.44 C ATOM 2784 O ASP A 180 15.581 -0.868 7.430 1.00 0.49 O ATOM 2785 CB ASP A 180 15.958 -4.078 7.740 1.00 0.48 C ATOM 2786 CG ASP A 180 16.264 -4.372 9.194 1.00 0.80 C ATOM 2787 OD1 ASP A 180 15.694 -5.339 9.741 1.00 1.55 O ATOM 2788 OD2 ASP A 180 17.058 -3.633 9.806 1.00 1.40 O1- ATOM 0 H ASP A 180 13.884 -4.685 6.491 1.00 0.39 H new ATOM 0 HA ASP A 180 14.425 -2.831 8.569 1.00 0.44 H new ATOM 0 HB2 ASP A 180 15.742 -5.012 7.221 1.00 0.48 H new ATOM 0 HB3 ASP A 180 16.839 -3.646 7.266 1.00 0.48 H new ATOM 2793 N THR A 181 15.195 -1.964 5.496 1.00 0.42 N ATOM 2794 CA THR A 181 15.577 -0.841 4.651 1.00 0.43 C ATOM 2795 C THR A 181 14.630 0.335 4.892 1.00 0.42 C ATOM 2796 O THR A 181 15.047 1.494 4.895 1.00 0.45 O ATOM 2797 CB THR A 181 15.559 -1.230 3.155 1.00 0.44 C ATOM 2798 OG1 THR A 181 16.479 -2.303 2.909 1.00 0.47 O ATOM 2799 CG2 THR A 181 15.915 -0.045 2.262 1.00 0.48 C ATOM 0 H THR A 181 14.914 -2.800 4.983 1.00 0.42 H new ATOM 0 HA THR A 181 16.595 -0.552 4.913 1.00 0.43 H new ATOM 0 HB THR A 181 14.546 -1.551 2.914 1.00 0.44 H new ATOM 0 HG1 THR A 181 16.265 -3.059 3.495 1.00 0.47 H new ATOM 0 HG21 THR A 181 15.892 -0.357 1.218 1.00 0.48 H new ATOM 0 HG22 THR A 181 15.194 0.757 2.417 1.00 0.48 H new ATOM 0 HG23 THR A 181 16.914 0.312 2.512 1.00 0.48 H new ATOM 2807 N VAL A 182 13.352 0.021 5.115 1.00 0.40 N ATOM 2808 CA VAL A 182 12.339 1.039 5.371 1.00 0.40 C ATOM 2809 C VAL A 182 12.709 1.863 6.601 1.00 0.44 C ATOM 2810 O VAL A 182 12.715 3.095 6.560 1.00 0.48 O ATOM 2811 CB VAL A 182 10.939 0.414 5.585 1.00 0.40 C ATOM 2812 CG1 VAL A 182 9.920 1.481 5.957 1.00 0.43 C ATOM 2813 CG2 VAL A 182 10.497 -0.343 4.341 1.00 0.39 C ATOM 0 H VAL A 182 12.996 -0.935 5.123 1.00 0.40 H new ATOM 0 HA VAL A 182 12.302 1.682 4.491 1.00 0.40 H new ATOM 0 HB VAL A 182 11.004 -0.293 6.412 1.00 0.40 H new ATOM 0 HG11 VAL A 182 8.944 1.017 6.102 1.00 0.43 H new ATOM 0 HG12 VAL A 182 10.229 1.973 6.879 1.00 0.43 H new ATOM 0 HG13 VAL A 182 9.856 2.218 5.156 1.00 0.43 H new ATOM 0 HG21 VAL A 182 9.511 -0.776 4.510 1.00 0.39 H new ATOM 0 HG22 VAL A 182 10.453 0.342 3.495 1.00 0.39 H new ATOM 0 HG23 VAL A 182 11.210 -1.139 4.127 1.00 0.39 H new ATOM 2823 N LYS A 183 13.045 1.172 7.687 1.00 0.44 N ATOM 2824 CA LYS A 183 13.419 1.826 8.938 1.00 0.50 C ATOM 2825 C LYS A 183 14.626 2.742 8.737 1.00 0.53 C ATOM 2826 O LYS A 183 14.653 3.867 9.235 1.00 0.60 O ATOM 2827 CB LYS A 183 13.730 0.781 10.013 1.00 0.53 C ATOM 2828 CG LYS A 183 13.785 1.348 11.425 1.00 0.60 C ATOM 2829 CD LYS A 183 14.275 0.305 12.420 1.00 0.75 C ATOM 2830 CE LYS A 183 13.721 0.552 13.818 1.00 0.93 C ATOM 2831 NZ LYS A 183 14.286 1.776 14.447 1.00 1.59 N1+ ATOM 0 H LYS A 183 13.066 0.153 7.726 1.00 0.44 H new ATOM 0 HA LYS A 183 12.576 2.434 9.265 1.00 0.50 H new ATOM 0 HB2 LYS A 183 12.972 -0.002 9.975 1.00 0.53 H new ATOM 0 HB3 LYS A 183 14.686 0.311 9.783 1.00 0.53 H new ATOM 0 HG2 LYS A 183 14.447 2.214 11.446 1.00 0.60 H new ATOM 0 HG3 LYS A 183 12.795 1.697 11.718 1.00 0.60 H new ATOM 0 HD2 LYS A 183 13.978 -0.688 12.082 1.00 0.75 H new ATOM 0 HD3 LYS A 183 15.364 0.318 12.453 1.00 0.75 H new ATOM 0 HE2 LYS A 183 12.636 0.643 13.765 1.00 0.93 H new ATOM 0 HE3 LYS A 183 13.938 -0.310 14.449 1.00 0.93 H new ATOM 0 HZ1 LYS A 183 13.878 1.899 15.395 1.00 1.59 H new ATOM 0 HZ2 LYS A 183 15.319 1.681 14.524 1.00 1.59 H new ATOM 0 HZ3 LYS A 183 14.057 2.604 13.861 1.00 1.59 H new ATOM 2845 N TYR A 184 15.614 2.255 7.993 1.00 0.52 N ATOM 2846 CA TYR A 184 16.823 3.026 7.716 1.00 0.57 C ATOM 2847 C TYR A 184 16.511 4.306 6.944 1.00 0.58 C ATOM 2848 O TYR A 184 17.033 5.371 7.265 1.00 0.65 O ATOM 2849 CB TYR A 184 17.827 2.172 6.934 1.00 0.60 C ATOM 2850 CG TYR A 184 19.050 2.934 6.457 1.00 0.70 C ATOM 2851 CD1 TYR A 184 20.053 3.305 7.344 1.00 0.84 C ATOM 2852 CD2 TYR A 184 19.195 3.280 5.118 1.00 0.74 C ATOM 2853 CE1 TYR A 184 21.164 4.000 6.914 1.00 0.99 C ATOM 2854 CE2 TYR A 184 20.306 3.976 4.680 1.00 0.88 C ATOM 2855 CZ TYR A 184 21.285 4.335 5.581 1.00 0.99 C ATOM 2856 OH TYR A 184 22.389 5.035 5.148 1.00 1.17 O ATOM 0 H TYR A 184 15.602 1.327 7.570 1.00 0.52 H new ATOM 0 HA TYR A 184 17.260 3.312 8.673 1.00 0.57 H new ATOM 0 HB2 TYR A 184 18.151 1.344 7.564 1.00 0.60 H new ATOM 0 HB3 TYR A 184 17.323 1.738 6.070 1.00 0.60 H new ATOM 0 HD1 TYR A 184 19.961 3.045 8.388 1.00 0.84 H new ATOM 0 HD2 TYR A 184 18.429 3.001 4.410 1.00 0.74 H new ATOM 0 HE1 TYR A 184 21.935 4.280 7.617 1.00 0.99 H new ATOM 0 HE2 TYR A 184 20.406 4.237 3.637 1.00 0.88 H new ATOM 0 HH TYR A 184 22.320 5.190 4.183 1.00 1.17 H new ATOM 2866 N LEU A 185 15.656 4.199 5.937 1.00 0.54 N ATOM 2867 CA LEU A 185 15.302 5.349 5.114 1.00 0.57 C ATOM 2868 C LEU A 185 14.371 6.313 5.846 1.00 0.59 C ATOM 2869 O LEU A 185 14.455 7.526 5.659 1.00 0.68 O ATOM 2870 CB LEU A 185 14.662 4.883 3.811 1.00 0.54 C ATOM 2871 CG LEU A 185 15.535 3.976 2.947 1.00 0.54 C ATOM 2872 CD1 LEU A 185 14.747 3.476 1.749 1.00 0.53 C ATOM 2873 CD2 LEU A 185 16.785 4.718 2.490 1.00 0.61 C ATOM 0 H LEU A 185 15.195 3.329 5.670 1.00 0.54 H new ATOM 0 HA LEU A 185 16.222 5.891 4.893 1.00 0.57 H new ATOM 0 HB2 LEU A 185 13.738 4.354 4.047 1.00 0.54 H new ATOM 0 HB3 LEU A 185 14.386 5.760 3.226 1.00 0.54 H new ATOM 0 HG LEU A 185 15.844 3.118 3.544 1.00 0.54 H new ATOM 0 HD11 LEU A 185 15.380 2.830 1.141 1.00 0.53 H new ATOM 0 HD12 LEU A 185 13.879 2.913 2.093 1.00 0.53 H new ATOM 0 HD13 LEU A 185 14.415 4.325 1.152 1.00 0.53 H new ATOM 0 HD21 LEU A 185 17.396 4.057 1.875 1.00 0.61 H new ATOM 0 HD22 LEU A 185 16.496 5.592 1.907 1.00 0.61 H new ATOM 0 HD23 LEU A 185 17.358 5.036 3.361 1.00 0.61 H new ATOM 2885 N SER A 186 13.485 5.776 6.678 1.00 0.55 N ATOM 2886 CA SER A 186 12.548 6.608 7.428 1.00 0.60 C ATOM 2887 C SER A 186 13.285 7.419 8.489 1.00 0.65 C ATOM 2888 O SER A 186 12.880 8.527 8.837 1.00 0.73 O ATOM 2889 CB SER A 186 11.466 5.743 8.087 1.00 0.59 C ATOM 2890 OG SER A 186 10.822 4.910 7.133 1.00 1.07 O ATOM 0 H SER A 186 13.395 4.775 6.850 1.00 0.55 H new ATOM 0 HA SER A 186 12.069 7.295 6.730 1.00 0.60 H new ATOM 0 HB2 SER A 186 11.914 5.128 8.867 1.00 0.59 H new ATOM 0 HB3 SER A 186 10.729 6.384 8.570 1.00 0.59 H new ATOM 0 HG SER A 186 11.363 4.107 6.981 1.00 1.07 H new ATOM 2896 N GLU A 187 14.385 6.861 8.980 1.00 0.66 N ATOM 2897 CA GLU A 187 15.191 7.518 9.996 1.00 0.76 C ATOM 2898 C GLU A 187 16.373 8.241 9.362 1.00 0.82 C ATOM 2899 O GLU A 187 17.238 8.775 10.059 1.00 0.98 O ATOM 2900 CB GLU A 187 15.678 6.492 11.019 1.00 0.80 C ATOM 2901 CG GLU A 187 14.571 5.983 11.926 1.00 1.10 C ATOM 2902 CD GLU A 187 14.196 6.980 13.004 1.00 1.56 C ATOM 2903 OE1 GLU A 187 13.306 7.826 12.768 1.00 2.26 O1- ATOM 2904 OE2 GLU A 187 14.800 6.926 14.099 1.00 2.01 O ATOM 0 H GLU A 187 14.739 5.950 8.688 1.00 0.66 H new ATOM 0 HA GLU A 187 14.574 8.259 10.505 1.00 0.76 H new ATOM 0 HB2 GLU A 187 16.126 5.648 10.494 1.00 0.80 H new ATOM 0 HB3 GLU A 187 16.462 6.940 11.629 1.00 0.80 H new ATOM 0 HG2 GLU A 187 13.691 5.755 11.325 1.00 1.10 H new ATOM 0 HG3 GLU A 187 14.889 5.051 12.393 1.00 1.10 H new ATOM 2911 N LYS A 188 16.398 8.263 8.038 1.00 0.79 N ATOM 2912 CA LYS A 188 17.465 8.920 7.305 1.00 0.86 C ATOM 2913 C LYS A 188 17.140 10.396 7.120 1.00 0.99 C ATOM 2914 O LYS A 188 16.818 10.842 6.018 1.00 1.46 O ATOM 2915 CB LYS A 188 17.670 8.242 5.943 1.00 0.82 C ATOM 2916 CG LYS A 188 19.045 8.474 5.334 1.00 0.95 C ATOM 2917 CD LYS A 188 19.132 7.875 3.937 1.00 1.00 C ATOM 2918 CE LYS A 188 20.572 7.602 3.520 1.00 1.25 C ATOM 2919 NZ LYS A 188 21.350 8.851 3.307 1.00 1.72 N1+ ATOM 0 H LYS A 188 15.687 7.831 7.448 1.00 0.79 H new ATOM 0 HA LYS A 188 18.389 8.835 7.876 1.00 0.86 H new ATOM 0 HB2 LYS A 188 17.511 7.170 6.055 1.00 0.82 H new ATOM 0 HB3 LYS A 188 16.911 8.606 5.250 1.00 0.82 H new ATOM 0 HG2 LYS A 188 19.250 9.543 5.288 1.00 0.95 H new ATOM 0 HG3 LYS A 188 19.809 8.030 5.972 1.00 0.95 H new ATOM 0 HD2 LYS A 188 18.563 6.946 3.905 1.00 1.00 H new ATOM 0 HD3 LYS A 188 18.671 8.556 3.222 1.00 1.00 H new ATOM 0 HE2 LYS A 188 21.061 7.000 4.286 1.00 1.25 H new ATOM 0 HE3 LYS A 188 20.576 7.014 2.602 1.00 1.25 H new ATOM 0 HZ1 LYS A 188 22.322 8.611 3.025 1.00 1.72 H new ATOM 0 HZ2 LYS A 188 20.902 9.416 2.558 1.00 1.72 H new ATOM 0 HZ3 LYS A 188 21.371 9.401 4.189 1.00 1.72 H new ATOM 2933 N LYS A 189 17.198 11.146 8.206 1.00 1.41 N ATOM 2934 CA LYS A 189 16.920 12.568 8.150 1.00 1.63 C ATOM 2935 C LYS A 189 18.225 13.339 8.036 1.00 2.24 C ATOM 2936 O LYS A 189 18.296 14.272 7.212 1.00 2.81 O ATOM 2937 CB LYS A 189 16.110 13.036 9.369 1.00 2.37 C ATOM 2938 CG LYS A 189 16.760 12.744 10.713 1.00 2.87 C ATOM 2939 CD LYS A 189 16.166 13.620 11.802 1.00 3.48 C ATOM 2940 CE LYS A 189 16.938 13.501 13.107 1.00 3.91 C ATOM 2941 NZ LYS A 189 16.514 12.325 13.914 1.00 4.33 N1+ ATOM 2942 OXT LYS A 189 19.191 12.992 8.757 1.00 2.89 O1- ATOM 0 H LYS A 189 17.434 10.795 9.134 1.00 1.41 H new ATOM 0 HA LYS A 189 16.310 12.765 7.268 1.00 1.63 H new ATOM 0 HB2 LYS A 189 15.943 14.110 9.287 1.00 2.37 H new ATOM 0 HB3 LYS A 189 15.131 12.558 9.343 1.00 2.37 H new ATOM 0 HG2 LYS A 189 16.621 11.694 10.969 1.00 2.87 H new ATOM 0 HG3 LYS A 189 17.834 12.916 10.647 1.00 2.87 H new ATOM 0 HD2 LYS A 189 16.166 14.659 11.473 1.00 3.48 H new ATOM 0 HD3 LYS A 189 15.126 13.339 11.968 1.00 3.48 H new ATOM 0 HE2 LYS A 189 18.003 13.423 12.890 1.00 3.91 H new ATOM 0 HE3 LYS A 189 16.798 14.409 13.693 1.00 3.91 H new ATOM 0 HZ1 LYS A 189 17.069 12.288 14.793 1.00 4.33 H new ATOM 0 HZ2 LYS A 189 15.504 12.409 14.146 1.00 4.33 H new ATOM 0 HZ3 LYS A 189 16.672 11.454 13.368 1.00 4.33 H new TER 2956 LYS A 189 HETATM 2957 O3 SFQ A 201 8.345 -9.336 -8.850 1.00 2.80 O HETATM 2958 C13 SFQ A 201 8.376 -10.046 -7.823 1.00 2.19 C HETATM 2959 O4 SFQ A 201 7.403 -10.783 -7.556 1.00 2.04 O HETATM 2960 C8 SFQ A 201 9.495 -10.035 -7.000 1.00 1.95 C HETATM 2961 C9 SFQ A 201 10.603 -9.267 -7.343 1.00 2.61 C HETATM 2962 C10 SFQ A 201 11.740 -9.288 -6.543 1.00 2.73 C HETATM 2963 C11 SFQ A 201 11.778 -10.073 -5.397 1.00 2.07 C HETATM 2964 C12 SFQ A 201 10.673 -10.843 -5.045 1.00 1.25 C HETATM 2965 C7 SFQ A 201 9.539 -10.821 -5.849 1.00 1.28 C HETATM 2966 N1 SFQ A 201 8.445 -11.519 -5.562 1.00 1.26 N HETATM 2967 S1 SFQ A 201 8.491 -12.454 -4.228 1.00 1.32 S HETATM 2968 O1 SFQ A 201 7.106 -13.055 -3.979 1.00 1.89 O HETATM 2969 O2 SFQ A 201 8.892 -11.616 -3.014 1.00 2.07 O HETATM 2970 C4 SFQ A 201 9.646 -13.745 -4.475 1.00 1.37 C HETATM 2971 C2 SFQ A 201 10.699 -13.925 -3.586 1.00 2.11 C HETATM 2972 C1 SFQ A 201 11.609 -14.956 -3.784 1.00 2.79 C HETATM 2973 C3 SFQ A 201 11.467 -15.808 -4.876 1.00 2.87 C HETATM 2974 I1 SFQ A 201 12.830 -17.363 -5.179 1.00 4.24 I HETATM 2975 C6 SFQ A 201 10.416 -15.625 -5.768 1.00 2.39 C HETATM 2976 C5 SFQ A 201 9.504 -14.593 -5.566 1.00 1.65 C