USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1036 hydrogens (0 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 125 GLN : amide:sc= -3 K(o=-12,f=-17!) USER MOD Set 1.2: A 127 GLN : amide:sc= -8.92! C(o=-12!,f=-17!) USER MOD Set 2.1: A 118 GLN : amide:sc= -9.03! C(o=-9.3!,f=-9.9!) USER MOD Set 2.2: A 121 MET CE :methyl -101:sc= -0.301 (180deg=0) USER MOD Set 3.1: A 5 GLN :FLIP amide:sc= -2.33! F(o=-6.9,f=-5.1!) USER MOD Set 3.2: A 114 LYS NZ :NH3+ -162:sc= -2.73 (180deg=-3.39!) USER MOD Set 4.1: A 89 GLN : amide:sc= -5.01! C(o=-3.9!,f=-3.7!) USER MOD Set 4.2: A 97 TYR OH : rot 158:sc= 1.07 USER MOD Set 5.1: A 70 TYR OH : rot 134:sc= -1.3! USER MOD Set 5.2: A 71 ASN : amide:sc= -7.26! C(o=-8.6!,f=-17!) USER MOD Single : A 1 MET CE :methyl 167:sc= 0 (180deg=-0.21) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.00011) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.528 F(o=-1.3,f=-0.53) USER MOD Single : A 40 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.45) USER MOD Single : A 43 MET CE :methyl -141:sc= -0.345 (180deg=-2.71!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 53 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : A 55 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.076) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= -0.688 (180deg=-0.711) USER MOD Single : A 72 ASN :FLIP amide:sc= -2.64 F(o=-3.3,f=-2.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.228 F(o=-1.2,f=-0.23) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0287 F(o=-0.55,f=-0.029) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -115:sc= -0.11 (180deg=-3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 142:sc= -2.74 (180deg=-5.19!) USER MOD Single : A 95 MET CE :methyl -167:sc= -5.78! (180deg=-6.28!) USER MOD Single : A 96 HIS : no HD1:sc= -4.97 K(o=-5,f=-8.8!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 103 ASN : amide:sc= 0.00183 K(o=0.0018,f=-3.5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -168:sc= -2.47 (180deg=-3.17!) USER MOD Single : A 109 LYS NZ :NH3+ -149:sc= -0.298 (180deg=-1.34!) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.0244 USER MOD Single : A 122 ASN :FLIP amide:sc= -0.023 F(o=-0.65,f=-0.023) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.146 1.256 16.338 1.00 0.00 N ATOM 2 CA MET A 1 11.165 1.211 15.257 1.00 0.00 C ATOM 3 C MET A 1 12.167 2.352 15.395 1.00 0.00 C ATOM 4 O MET A 1 12.052 3.188 16.292 1.00 0.00 O ATOM 5 CB MET A 1 10.449 1.298 13.908 1.00 0.00 C ATOM 6 CG MET A 1 11.101 0.464 12.818 1.00 0.00 C ATOM 7 SD MET A 1 9.898 -0.284 11.702 1.00 0.00 S ATOM 8 CE MET A 1 9.883 -1.971 12.303 1.00 0.00 C ATOM 0 H1 MET A 1 9.478 0.468 16.218 1.00 0.00 H new ATOM 0 H2 MET A 1 10.616 1.174 17.262 1.00 0.00 H new ATOM 0 H3 MET A 1 9.630 2.158 16.291 1.00 0.00 H new ATOM 0 HA MET A 1 11.721 0.276 15.329 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.416 0.974 14.033 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.420 2.340 13.588 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.782 1.092 12.244 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.702 -0.321 13.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.032 -2.502 11.877 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.806 -2.470 12.009 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.802 -1.969 13.390 1.00 0.00 H new ATOM 20 N ALA A 2 13.150 2.381 14.502 1.00 0.00 N ATOM 21 CA ALA A 2 14.172 3.420 14.524 1.00 0.00 C ATOM 22 C ALA A 2 13.623 4.742 14.000 1.00 0.00 C ATOM 23 O ALA A 2 13.686 5.765 14.682 1.00 0.00 O ATOM 24 CB ALA A 2 15.381 2.988 13.707 1.00 0.00 C ATOM 0 H ALA A 2 13.260 1.697 13.754 1.00 0.00 H new ATOM 0 HA ALA A 2 14.480 3.570 15.559 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.136 3.773 13.732 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.796 2.072 14.128 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.078 2.809 12.675 1.00 0.00 H new ATOM 30 N ASP A 3 13.083 4.714 12.786 1.00 0.00 N ATOM 31 CA ASP A 3 12.520 5.911 12.169 1.00 0.00 C ATOM 32 C ASP A 3 11.983 5.604 10.775 1.00 0.00 C ATOM 33 O ASP A 3 12.423 4.657 10.123 1.00 0.00 O ATOM 34 CB ASP A 3 13.577 7.015 12.088 1.00 0.00 C ATOM 35 CG ASP A 3 14.847 6.551 11.402 1.00 0.00 C ATOM 36 OD1 ASP A 3 15.668 5.882 12.064 1.00 0.00 O1- ATOM 37 OD2 ASP A 3 15.020 6.857 10.204 1.00 0.00 O ATOM 0 H ASP A 3 13.023 3.875 12.209 1.00 0.00 H new ATOM 0 HA ASP A 3 11.693 6.254 12.791 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.167 7.868 11.548 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.816 7.360 13.094 1.00 0.00 H new ATOM 42 N GLU A 4 11.030 6.413 10.324 1.00 0.00 N ATOM 43 CA GLU A 4 10.432 6.231 9.006 1.00 0.00 C ATOM 44 C GLU A 4 9.557 7.425 8.638 1.00 0.00 C ATOM 45 O GLU A 4 9.972 8.300 7.878 1.00 0.00 O ATOM 46 CB GLU A 4 9.605 4.943 8.971 1.00 0.00 C ATOM 47 CG GLU A 4 10.397 3.725 8.522 1.00 0.00 C ATOM 48 CD GLU A 4 10.566 2.698 9.626 1.00 0.00 C ATOM 49 OE1 GLU A 4 9.589 2.458 10.367 1.00 0.00 O ATOM 50 OE2 GLU A 4 11.673 2.135 9.748 1.00 0.00 O1- ATOM 0 H GLU A 4 10.655 7.201 10.852 1.00 0.00 H new ATOM 0 HA GLU A 4 11.237 6.155 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.197 4.755 9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.758 5.083 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.893 3.261 7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.380 4.044 8.174 1.00 0.00 H new ATOM 57 N GLN A 5 8.345 7.457 9.183 1.00 0.00 N ATOM 58 CA GLN A 5 7.412 8.545 8.914 1.00 0.00 C ATOM 59 C GLN A 5 6.237 8.510 9.891 1.00 0.00 C ATOM 60 O GLN A 5 5.076 8.503 9.480 1.00 0.00 O ATOM 61 CB GLN A 5 6.899 8.460 7.474 1.00 0.00 C ATOM 62 CG GLN A 5 7.786 9.177 6.468 1.00 0.00 C ATOM 63 CD GLN A 5 8.512 8.220 5.543 1.00 0.00 C ATOM 64 OE1 GLN A 5 7.762 7.324 4.912 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 9.732 8.284 5.398 1.00 0.00 N flip ATOM 0 H GLN A 5 7.986 6.741 9.814 1.00 0.00 H new ATOM 0 HA GLN A 5 7.943 9.488 9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.814 7.411 7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.896 8.884 7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.177 9.859 5.874 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.517 9.785 7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.269 8.989 5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.206 7.632 4.773 1.00 0.00 H new ATOM 74 N PRO A 6 6.525 8.488 11.204 1.00 0.00 N ATOM 75 CA PRO A 6 5.488 8.453 12.238 1.00 0.00 C ATOM 76 C PRO A 6 4.845 9.818 12.464 1.00 0.00 C ATOM 77 O PRO A 6 5.537 10.833 12.546 1.00 0.00 O ATOM 78 CB PRO A 6 6.258 8.013 13.481 1.00 0.00 C ATOM 79 CG PRO A 6 7.635 8.541 13.271 1.00 0.00 C ATOM 80 CD PRO A 6 7.883 8.494 11.786 1.00 0.00 C ATOM 0 HA PRO A 6 4.662 7.794 11.970 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.811 8.418 14.389 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.260 6.928 13.584 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.723 9.560 13.648 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.368 7.939 13.807 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.459 9.356 11.449 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.444 7.604 11.502 1.00 0.00 H new ATOM 88 N LYS A 7 3.517 9.831 12.565 1.00 0.00 N ATOM 89 CA LYS A 7 2.764 11.067 12.784 1.00 0.00 C ATOM 90 C LYS A 7 3.290 12.206 11.913 1.00 0.00 C ATOM 91 O LYS A 7 4.214 12.922 12.300 1.00 0.00 O ATOM 92 CB LYS A 7 2.812 11.471 14.261 1.00 0.00 C ATOM 93 CG LYS A 7 4.210 11.458 14.858 1.00 0.00 C ATOM 94 CD LYS A 7 4.208 11.974 16.289 1.00 0.00 C ATOM 95 CE LYS A 7 3.943 13.469 16.341 1.00 0.00 C ATOM 96 NZ LYS A 7 4.629 14.115 17.494 1.00 0.00 N1+ ATOM 0 H LYS A 7 2.937 8.995 12.498 1.00 0.00 H new ATOM 0 HA LYS A 7 1.729 10.875 12.500 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.391 12.471 14.368 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.177 10.795 14.833 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.607 10.443 14.836 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.873 12.073 14.249 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.447 11.448 16.865 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.168 11.757 16.757 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.281 13.930 15.413 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.870 13.645 16.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.423 15.134 17.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.288 13.693 18.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.656 13.969 17.413 1.00 0.00 H new ATOM 110 N LYS A 8 2.694 12.368 10.736 1.00 0.00 N ATOM 111 CA LYS A 8 3.101 13.420 9.811 1.00 0.00 C ATOM 112 C LYS A 8 1.955 13.790 8.871 1.00 0.00 C ATOM 113 O LYS A 8 0.971 13.060 8.762 1.00 0.00 O ATOM 114 CB LYS A 8 4.319 12.971 9.001 1.00 0.00 C ATOM 115 CG LYS A 8 5.641 13.460 9.570 1.00 0.00 C ATOM 116 CD LYS A 8 6.745 12.433 9.373 1.00 0.00 C ATOM 117 CE LYS A 8 8.101 13.100 9.205 1.00 0.00 C ATOM 118 NZ LYS A 8 9.218 12.120 9.305 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.928 11.784 10.400 1.00 0.00 H new ATOM 0 HA LYS A 8 3.367 14.302 10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.333 11.882 8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.218 13.332 7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.922 14.396 9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.525 13.672 10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.773 11.759 10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.526 11.825 8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.142 13.600 8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.224 13.870 9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.125 12.614 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.194 11.661 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.115 11.400 8.562 1.00 0.00 H new ATOM 132 N PRO A 9 2.071 14.935 8.176 1.00 0.00 N ATOM 133 CA PRO A 9 1.040 15.398 7.241 1.00 0.00 C ATOM 134 C PRO A 9 0.909 14.483 6.029 1.00 0.00 C ATOM 135 O PRO A 9 1.905 13.991 5.500 1.00 0.00 O ATOM 136 CB PRO A 9 1.536 16.783 6.815 1.00 0.00 C ATOM 137 CG PRO A 9 3.006 16.753 7.052 1.00 0.00 C ATOM 138 CD PRO A 9 3.213 15.865 8.245 1.00 0.00 C ATOM 0 HA PRO A 9 0.051 15.410 7.699 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.309 16.979 5.767 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.058 17.570 7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.534 16.366 6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.392 17.755 7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.165 15.337 8.194 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.213 16.434 9.175 1.00 0.00 H new ATOM 146 N VAL A 10 -0.327 14.256 5.596 1.00 0.00 N ATOM 147 CA VAL A 10 -0.586 13.397 4.447 1.00 0.00 C ATOM 148 C VAL A 10 -0.854 14.223 3.189 1.00 0.00 C ATOM 149 O VAL A 10 -1.276 15.377 3.271 1.00 0.00 O ATOM 150 CB VAL A 10 -1.779 12.451 4.709 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.644 11.788 6.071 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.101 13.198 4.604 1.00 0.00 C ATOM 0 H VAL A 10 -1.163 14.654 6.023 1.00 0.00 H new ATOM 0 HA VAL A 10 0.309 12.795 4.290 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.770 11.674 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.493 11.125 6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.720 11.210 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.622 12.553 6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.924 12.509 4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.124 14.002 5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.202 13.619 3.604 1.00 0.00 H new ATOM 162 N PRO A 11 -0.612 13.638 2.004 1.00 0.00 N ATOM 163 CA PRO A 11 -0.828 14.318 0.725 1.00 0.00 C ATOM 164 C PRO A 11 -2.304 14.395 0.351 1.00 0.00 C ATOM 165 O PRO A 11 -3.179 14.121 1.173 1.00 0.00 O ATOM 166 CB PRO A 11 -0.070 13.437 -0.266 1.00 0.00 C ATOM 167 CG PRO A 11 -0.129 12.072 0.327 1.00 0.00 C ATOM 168 CD PRO A 11 -0.109 12.263 1.821 1.00 0.00 C ATOM 0 HA PRO A 11 -0.489 15.354 0.747 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.532 13.461 -1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.960 13.772 -0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.033 11.550 0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.718 11.468 0.000 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.743 11.534 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.896 12.147 2.226 1.00 0.00 H new ATOM 176 N ALA A 12 -2.575 14.767 -0.896 1.00 0.00 N ATOM 177 CA ALA A 12 -3.945 14.877 -1.381 1.00 0.00 C ATOM 178 C ALA A 12 -4.195 13.919 -2.541 1.00 0.00 C ATOM 179 O ALA A 12 -3.541 14.003 -3.581 1.00 0.00 O ATOM 180 CB ALA A 12 -4.241 16.308 -1.804 1.00 0.00 C ATOM 0 H ALA A 12 -1.863 14.997 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.616 14.604 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.268 16.376 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.111 16.974 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.557 16.601 -2.600 1.00 0.00 H new ATOM 186 N ALA A 13 -5.144 13.008 -2.356 1.00 0.00 N ATOM 187 CA ALA A 13 -5.479 12.033 -3.387 1.00 0.00 C ATOM 188 C ALA A 13 -6.703 12.473 -4.182 1.00 0.00 C ATOM 189 O ALA A 13 -7.294 13.517 -3.904 1.00 0.00 O ATOM 190 CB ALA A 13 -5.717 10.666 -2.762 1.00 0.00 C ATOM 0 H ALA A 13 -5.695 12.924 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.637 11.965 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.966 9.947 -3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.815 10.341 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.541 10.729 -2.051 1.00 0.00 H new ATOM 196 N GLU A 14 -7.079 11.671 -5.173 1.00 0.00 N ATOM 197 CA GLU A 14 -8.233 11.978 -6.009 1.00 0.00 C ATOM 198 C GLU A 14 -8.952 10.702 -6.436 1.00 0.00 C ATOM 199 O GLU A 14 -10.159 10.562 -6.239 1.00 0.00 O ATOM 200 CB GLU A 14 -7.800 12.770 -7.244 1.00 0.00 C ATOM 201 CG GLU A 14 -6.556 12.214 -7.919 1.00 0.00 C ATOM 202 CD GLU A 14 -5.886 13.225 -8.830 1.00 0.00 C ATOM 203 OE1 GLU A 14 -6.604 13.900 -9.597 1.00 0.00 O1- ATOM 204 OE2 GLU A 14 -4.644 13.340 -8.776 1.00 0.00 O ATOM 0 H GLU A 14 -6.601 10.803 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.923 12.583 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.619 12.782 -7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.615 13.805 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.847 11.891 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.825 11.331 -8.498 1.00 0.00 H new ATOM 211 N GLU A 15 -8.202 9.773 -7.022 1.00 0.00 N ATOM 212 CA GLU A 15 -8.769 8.508 -7.476 1.00 0.00 C ATOM 213 C GLU A 15 -7.686 7.603 -8.054 1.00 0.00 C ATOM 214 O GLU A 15 -6.496 7.901 -7.956 1.00 0.00 O ATOM 215 CB GLU A 15 -9.855 8.759 -8.525 1.00 0.00 C ATOM 216 CG GLU A 15 -11.042 7.817 -8.408 1.00 0.00 C ATOM 217 CD GLU A 15 -12.240 8.469 -7.747 1.00 0.00 C ATOM 218 OE1 GLU A 15 -12.162 8.765 -6.536 1.00 0.00 O1- ATOM 219 OE2 GLU A 15 -13.257 8.684 -8.440 1.00 0.00 O ATOM 0 H GLU A 15 -7.201 9.873 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.214 8.008 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.207 9.787 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.419 8.659 -9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.324 7.469 -9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.749 6.938 -7.834 1.00 0.00 H new ATOM 226 N ALA A 16 -8.108 6.496 -8.657 1.00 0.00 N ATOM 227 CA ALA A 16 -7.175 5.546 -9.252 1.00 0.00 C ATOM 228 C ALA A 16 -7.205 5.628 -10.776 1.00 0.00 C ATOM 229 O ALA A 16 -8.093 6.254 -11.354 1.00 0.00 O ATOM 230 CB ALA A 16 -7.495 4.133 -8.788 1.00 0.00 C ATOM 0 H ALA A 16 -9.090 6.235 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.169 5.805 -8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.791 3.434 -9.239 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.414 4.079 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.509 3.872 -9.089 1.00 0.00 H new ATOM 236 N PRO A 17 -6.231 4.992 -11.450 1.00 0.00 N ATOM 237 CA PRO A 17 -6.152 4.996 -12.913 1.00 0.00 C ATOM 238 C PRO A 17 -7.223 4.119 -13.554 1.00 0.00 C ATOM 239 O PRO A 17 -7.550 3.048 -13.043 1.00 0.00 O ATOM 240 CB PRO A 17 -4.760 4.430 -13.193 1.00 0.00 C ATOM 241 CG PRO A 17 -4.460 3.567 -12.017 1.00 0.00 C ATOM 242 CD PRO A 17 -5.132 4.220 -10.838 1.00 0.00 C ATOM 0 HA PRO A 17 -6.314 5.991 -13.328 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.745 3.856 -14.120 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.023 5.226 -13.299 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.837 2.556 -12.169 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.385 3.486 -11.857 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.507 3.481 -10.130 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.445 4.865 -10.291 1.00 0.00 H new ATOM 250 N ALA A 18 -7.765 4.581 -14.676 1.00 0.00 N ATOM 251 CA ALA A 18 -8.799 3.839 -15.387 1.00 0.00 C ATOM 252 C ALA A 18 -8.653 4.003 -16.896 1.00 0.00 C ATOM 253 O ALA A 18 -8.693 5.119 -17.415 1.00 0.00 O ATOM 254 CB ALA A 18 -10.179 4.293 -14.935 1.00 0.00 C ATOM 0 H ALA A 18 -7.505 5.466 -15.112 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.681 2.782 -15.150 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.942 3.731 -15.474 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.287 4.117 -13.865 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.298 5.356 -15.142 1.00 0.00 H new ATOM 260 N ALA A 19 -8.485 2.885 -17.594 1.00 0.00 N ATOM 261 CA ALA A 19 -8.333 2.905 -19.044 1.00 0.00 C ATOM 262 C ALA A 19 -8.863 1.619 -19.669 1.00 0.00 C ATOM 263 O ALA A 19 -9.144 0.647 -18.968 1.00 0.00 O ATOM 264 CB ALA A 19 -6.874 3.115 -19.419 1.00 0.00 C ATOM 0 H ALA A 19 -8.451 1.954 -17.179 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.920 3.736 -19.435 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.776 3.128 -20.504 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.527 4.065 -19.012 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.273 2.303 -19.010 1.00 0.00 H new ATOM 270 N GLU A 20 -8.997 1.622 -20.991 1.00 0.00 N ATOM 271 CA GLU A 20 -9.493 0.454 -21.711 1.00 0.00 C ATOM 272 C GLU A 20 -8.443 -0.652 -21.742 1.00 0.00 C ATOM 273 O GLU A 20 -7.253 -0.398 -21.555 1.00 0.00 O ATOM 274 CB GLU A 20 -9.887 0.839 -23.138 1.00 0.00 C ATOM 275 CG GLU A 20 -10.662 -0.246 -23.868 1.00 0.00 C ATOM 276 CD GLU A 20 -11.168 0.211 -25.223 1.00 0.00 C ATOM 277 OE1 GLU A 20 -11.498 1.407 -25.361 1.00 0.00 O ATOM 278 OE2 GLU A 20 -11.234 -0.629 -26.145 1.00 0.00 O1- ATOM 0 H GLU A 20 -8.769 2.419 -21.585 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.373 0.081 -21.186 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.490 1.747 -23.107 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.986 1.074 -23.704 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.023 -1.119 -23.998 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.507 -0.559 -23.255 1.00 0.00 H new ATOM 285 N ALA A 21 -8.892 -1.880 -21.979 1.00 0.00 N ATOM 286 CA ALA A 21 -7.992 -3.025 -22.035 1.00 0.00 C ATOM 287 C ALA A 21 -7.259 -3.212 -20.712 1.00 0.00 C ATOM 288 O ALA A 21 -7.498 -2.482 -19.749 1.00 0.00 O ATOM 289 CB ALA A 21 -6.997 -2.859 -23.174 1.00 0.00 C ATOM 0 H ALA A 21 -9.874 -2.107 -22.135 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.590 -3.918 -22.218 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.331 -3.721 -23.204 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.535 -2.783 -24.119 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.411 -1.954 -23.016 1.00 0.00 H new ATOM 295 N GLU A 22 -6.363 -4.193 -20.670 1.00 0.00 N ATOM 296 CA GLU A 22 -5.594 -4.476 -19.464 1.00 0.00 C ATOM 297 C GLU A 22 -4.134 -4.756 -19.804 1.00 0.00 C ATOM 298 O GLU A 22 -3.817 -5.203 -20.906 1.00 0.00 O ATOM 299 CB GLU A 22 -6.195 -5.668 -18.718 1.00 0.00 C ATOM 300 CG GLU A 22 -7.708 -5.607 -18.592 1.00 0.00 C ATOM 301 CD GLU A 22 -8.415 -6.455 -19.632 1.00 0.00 C ATOM 302 OE1 GLU A 22 -7.850 -7.494 -20.034 1.00 0.00 O1- ATOM 303 OE2 GLU A 22 -9.532 -6.079 -20.044 1.00 0.00 O ATOM 0 H GLU A 22 -6.152 -4.805 -21.458 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.636 -3.597 -18.821 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.919 -6.587 -19.236 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.758 -5.720 -17.721 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.000 -5.942 -17.596 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.035 -4.572 -18.689 1.00 0.00 H new ATOM 310 N ALA A 23 -3.248 -4.492 -18.848 1.00 0.00 N ATOM 311 CA ALA A 23 -1.821 -4.716 -19.046 1.00 0.00 C ATOM 312 C ALA A 23 -1.066 -4.645 -17.723 1.00 0.00 C ATOM 313 O ALA A 23 -0.792 -3.560 -17.211 1.00 0.00 O ATOM 314 CB ALA A 23 -1.260 -3.703 -20.032 1.00 0.00 C ATOM 0 H ALA A 23 -3.494 -4.123 -17.929 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.688 -5.717 -19.456 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.194 -3.882 -20.170 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.772 -3.804 -20.989 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.412 -2.696 -19.644 1.00 0.00 H new ATOM 320 N GLU A 24 -0.733 -5.809 -17.175 1.00 0.00 N ATOM 321 CA GLU A 24 -0.009 -5.879 -15.911 1.00 0.00 C ATOM 322 C GLU A 24 0.541 -7.282 -15.676 1.00 0.00 C ATOM 323 O GLU A 24 -0.137 -8.276 -15.933 1.00 0.00 O ATOM 324 CB GLU A 24 -0.923 -5.475 -14.753 1.00 0.00 C ATOM 325 CG GLU A 24 -0.199 -4.750 -13.631 1.00 0.00 C ATOM 326 CD GLU A 24 -0.695 -5.157 -12.257 1.00 0.00 C ATOM 327 OE1 GLU A 24 -1.704 -4.582 -11.796 1.00 0.00 O1- ATOM 328 OE2 GLU A 24 -0.076 -6.050 -11.643 1.00 0.00 O ATOM 0 H GLU A 24 -0.953 -6.716 -17.586 1.00 0.00 H new ATOM 0 HA GLU A 24 0.829 -5.184 -15.962 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.718 -4.834 -15.135 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.400 -6.368 -14.349 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.869 -4.953 -13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.328 -3.675 -13.756 1.00 0.00 H new ATOM 335 N GLU A 25 1.774 -7.354 -15.185 1.00 0.00 N ATOM 336 CA GLU A 25 2.415 -8.635 -14.915 1.00 0.00 C ATOM 337 C GLU A 25 2.452 -8.920 -13.417 1.00 0.00 C ATOM 338 O GLU A 25 2.067 -8.079 -12.606 1.00 0.00 O ATOM 339 CB GLU A 25 3.836 -8.648 -15.483 1.00 0.00 C ATOM 340 CG GLU A 25 3.894 -8.399 -16.981 1.00 0.00 C ATOM 341 CD GLU A 25 3.297 -9.537 -17.785 1.00 0.00 C ATOM 342 OE1 GLU A 25 3.796 -10.675 -17.665 1.00 0.00 O1- ATOM 343 OE2 GLU A 25 2.329 -9.290 -18.535 1.00 0.00 O ATOM 0 H GLU A 25 2.349 -6.540 -14.966 1.00 0.00 H new ATOM 0 HA GLU A 25 1.829 -9.415 -15.401 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.429 -7.888 -14.974 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.297 -9.611 -15.265 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.361 -7.477 -17.213 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.932 -8.252 -17.281 1.00 0.00 H new ATOM 350 N GLU A 26 2.917 -10.112 -13.058 1.00 0.00 N ATOM 351 CA GLU A 26 3.004 -10.508 -11.657 1.00 0.00 C ATOM 352 C GLU A 26 1.626 -10.498 -11.003 1.00 0.00 C ATOM 353 O GLU A 26 1.269 -9.552 -10.301 1.00 0.00 O ATOM 354 CB GLU A 26 3.949 -9.574 -10.899 1.00 0.00 C ATOM 355 CG GLU A 26 5.290 -9.378 -11.586 1.00 0.00 C ATOM 356 CD GLU A 26 6.180 -10.601 -11.488 1.00 0.00 C ATOM 357 OE1 GLU A 26 5.659 -11.727 -11.634 1.00 0.00 O1- ATOM 358 OE2 GLU A 26 7.397 -10.434 -11.266 1.00 0.00 O ATOM 0 H GLU A 26 3.239 -10.820 -13.717 1.00 0.00 H new ATOM 0 HA GLU A 26 3.398 -11.523 -11.616 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.467 -8.604 -10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.117 -9.974 -9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.124 -9.137 -12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.801 -8.525 -11.140 1.00 0.00 H new ATOM 365 N GLU A 27 0.858 -11.556 -11.237 1.00 0.00 N ATOM 366 CA GLU A 27 -0.481 -11.669 -10.670 1.00 0.00 C ATOM 367 C GLU A 27 -0.691 -13.042 -10.039 1.00 0.00 C ATOM 368 O GLU A 27 -0.779 -14.051 -10.740 1.00 0.00 O ATOM 369 CB GLU A 27 -1.537 -11.424 -11.749 1.00 0.00 C ATOM 370 CG GLU A 27 -1.369 -12.305 -12.976 1.00 0.00 C ATOM 371 CD GLU A 27 -1.779 -11.604 -14.257 1.00 0.00 C ATOM 372 OE1 GLU A 27 -2.854 -10.969 -14.268 1.00 0.00 O1- ATOM 373 OE2 GLU A 27 -1.024 -11.691 -15.248 1.00 0.00 O ATOM 0 H GLU A 27 1.139 -12.348 -11.815 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.584 -10.912 -9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.526 -11.594 -11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.497 -10.378 -12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.328 -12.618 -13.054 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.965 -13.209 -12.854 1.00 0.00 H new ATOM 380 N GLY A 28 -0.771 -13.073 -8.713 1.00 0.00 N ATOM 381 CA GLY A 28 -0.970 -14.327 -8.011 1.00 0.00 C ATOM 382 C GLY A 28 -2.434 -14.705 -7.902 1.00 0.00 C ATOM 383 O GLY A 28 -2.872 -15.695 -8.489 1.00 0.00 O ATOM 0 H GLY A 28 -0.702 -12.252 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.431 -15.120 -8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.542 -14.252 -7.011 1.00 0.00 H new ATOM 387 N LEU A 29 -3.193 -13.915 -7.149 1.00 0.00 N ATOM 388 CA LEU A 29 -4.616 -14.172 -6.965 1.00 0.00 C ATOM 389 C LEU A 29 -5.444 -13.416 -8.000 1.00 0.00 C ATOM 390 O LEU A 29 -5.126 -12.281 -8.355 1.00 0.00 O ATOM 391 CB LEU A 29 -5.050 -13.769 -5.555 1.00 0.00 C ATOM 392 CG LEU A 29 -4.876 -14.852 -4.489 1.00 0.00 C ATOM 393 CD1 LEU A 29 -5.590 -16.129 -4.905 1.00 0.00 C ATOM 394 CD2 LEU A 29 -3.400 -15.121 -4.240 1.00 0.00 C ATOM 0 H LEU A 29 -2.846 -13.092 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.787 -15.240 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.481 -12.890 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.099 -13.475 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.322 -14.497 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.456 -16.888 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.653 -15.926 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.174 -16.489 -5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.294 -15.894 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.930 -15.456 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.916 -14.206 -3.898 1.00 0.00 H new ATOM 406 N HIS A 30 -6.507 -14.053 -8.480 1.00 0.00 N ATOM 407 CA HIS A 30 -7.381 -13.441 -9.474 1.00 0.00 C ATOM 408 C HIS A 30 -8.702 -13.010 -8.845 1.00 0.00 C ATOM 409 O HIS A 30 -9.131 -13.567 -7.835 1.00 0.00 O ATOM 410 CB HIS A 30 -7.643 -14.417 -10.622 1.00 0.00 C ATOM 411 CG HIS A 30 -6.524 -14.489 -11.614 1.00 0.00 C ATOM 412 ND1 HIS A 30 -5.290 -15.030 -11.319 1.00 0.00 N ATOM 413 CD2 HIS A 30 -6.456 -14.085 -12.905 1.00 0.00 C ATOM 414 CE1 HIS A 30 -4.512 -14.955 -12.384 1.00 0.00 C ATOM 415 NE2 HIS A 30 -5.196 -14.386 -13.360 1.00 0.00 N ATOM 0 H HIS A 30 -6.784 -14.993 -8.197 1.00 0.00 H new ATOM 0 HA HIS A 30 -6.881 -12.556 -9.866 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.817 -15.411 -10.210 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.556 -14.121 -11.138 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.246 -13.614 -13.471 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.491 -15.300 -12.446 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -4.845 -14.200 -14.300 1.00 0.00 H new ATOM 424 N LEU A 31 -9.342 -12.015 -9.450 1.00 0.00 N ATOM 425 CA LEU A 31 -10.615 -11.509 -8.950 1.00 0.00 C ATOM 426 C LEU A 31 -11.292 -10.618 -9.987 1.00 0.00 C ATOM 427 O LEU A 31 -10.866 -10.558 -11.141 1.00 0.00 O ATOM 428 CB LEU A 31 -10.401 -10.729 -7.650 1.00 0.00 C ATOM 429 CG LEU A 31 -11.465 -10.960 -6.575 1.00 0.00 C ATOM 430 CD1 LEU A 31 -11.074 -12.124 -5.679 1.00 0.00 C ATOM 431 CD2 LEU A 31 -11.672 -9.697 -5.752 1.00 0.00 C ATOM 0 H LEU A 31 -9.000 -11.543 -10.287 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.265 -12.361 -8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.427 -10.996 -7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.367 -9.665 -7.884 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.405 -11.208 -7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.842 -12.273 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.976 -13.028 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.123 -11.906 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.432 -9.878 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.735 -9.420 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.998 -8.887 -6.404 1.00 0.00 H new ATOM 443 N GLU A 32 -12.348 -9.928 -9.569 1.00 0.00 N ATOM 444 CA GLU A 32 -13.084 -9.041 -10.462 1.00 0.00 C ATOM 445 C GLU A 32 -12.363 -7.706 -10.618 1.00 0.00 C ATOM 446 O GLU A 32 -11.927 -7.106 -9.636 1.00 0.00 O ATOM 447 CB GLU A 32 -14.500 -8.810 -9.933 1.00 0.00 C ATOM 448 CG GLU A 32 -14.539 -8.113 -8.583 1.00 0.00 C ATOM 449 CD GLU A 32 -15.945 -7.732 -8.163 1.00 0.00 C ATOM 450 OE1 GLU A 32 -16.765 -7.418 -9.052 1.00 0.00 O ATOM 451 OE2 GLU A 32 -16.226 -7.747 -6.947 1.00 0.00 O1- ATOM 0 H GLU A 32 -12.713 -9.966 -8.617 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.143 -9.519 -11.440 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.056 -8.214 -10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.010 -9.770 -9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.103 -8.767 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.920 -7.216 -8.623 1.00 0.00 H new ATOM 458 N ASP A 33 -12.241 -7.247 -11.860 1.00 0.00 N ATOM 459 CA ASP A 33 -11.573 -5.982 -12.144 1.00 0.00 C ATOM 460 C ASP A 33 -12.437 -4.801 -11.713 1.00 0.00 C ATOM 461 O ASP A 33 -13.108 -4.177 -12.535 1.00 0.00 O ATOM 462 CB ASP A 33 -11.252 -5.876 -13.636 1.00 0.00 C ATOM 463 CG ASP A 33 -10.164 -4.859 -13.922 1.00 0.00 C ATOM 464 OD1 ASP A 33 -10.349 -3.676 -13.567 1.00 0.00 O1- ATOM 465 OD2 ASP A 33 -9.127 -5.246 -14.502 1.00 0.00 O ATOM 0 H ASP A 33 -12.596 -7.732 -12.684 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.643 -5.955 -11.576 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.940 -6.852 -14.008 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.155 -5.601 -14.181 1.00 0.00 H new ATOM 470 N ASP A 34 -12.415 -4.500 -10.419 1.00 0.00 N ATOM 471 CA ASP A 34 -13.196 -3.394 -9.878 1.00 0.00 C ATOM 472 C ASP A 34 -12.483 -2.753 -8.692 1.00 0.00 C ATOM 473 O ASP A 34 -12.810 -3.026 -7.537 1.00 0.00 O ATOM 474 CB ASP A 34 -14.582 -3.881 -9.452 1.00 0.00 C ATOM 475 CG ASP A 34 -15.655 -2.832 -9.667 1.00 0.00 C ATOM 476 OD1 ASP A 34 -16.129 -2.694 -10.815 1.00 0.00 O1- ATOM 477 OD2 ASP A 34 -16.022 -2.148 -8.689 1.00 0.00 O ATOM 0 H ASP A 34 -11.865 -5.007 -9.725 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.307 -2.644 -10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.837 -4.779 -10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.558 -4.161 -8.399 1.00 0.00 H new ATOM 482 N GLN A 35 -11.507 -1.900 -8.986 1.00 0.00 N ATOM 483 CA GLN A 35 -10.748 -1.219 -7.943 1.00 0.00 C ATOM 484 C GLN A 35 -10.031 -2.225 -7.048 1.00 0.00 C ATOM 485 O GLN A 35 -10.113 -3.434 -7.265 1.00 0.00 O ATOM 486 CB GLN A 35 -11.672 -0.338 -7.101 1.00 0.00 C ATOM 487 CG GLN A 35 -12.079 0.952 -7.794 1.00 0.00 C ATOM 488 CD GLN A 35 -13.161 0.740 -8.834 1.00 0.00 C ATOM 489 OE1 GLN A 35 -12.758 0.333 -10.033 1.00 0.00 O flip ATOM 490 NE2 GLN A 35 -14.346 0.938 -8.564 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.223 -1.664 -9.937 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.000 -0.590 -8.426 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.569 -0.904 -6.848 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.173 -0.095 -6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.432 1.665 -7.048 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.205 1.395 -8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.611 1.250 -7.630 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.063 0.790 -9.275 1.00 0.00 H new ATOM 499 N GLU A 36 -9.327 -1.717 -6.041 1.00 0.00 N ATOM 500 CA GLU A 36 -8.595 -2.571 -5.112 1.00 0.00 C ATOM 501 C GLU A 36 -9.103 -2.383 -3.684 1.00 0.00 C ATOM 502 O GLU A 36 -8.482 -1.685 -2.883 1.00 0.00 O ATOM 503 CB GLU A 36 -7.098 -2.265 -5.178 1.00 0.00 C ATOM 504 CG GLU A 36 -6.421 -2.807 -6.426 1.00 0.00 C ATOM 505 CD GLU A 36 -7.101 -2.352 -7.703 1.00 0.00 C ATOM 506 OE1 GLU A 36 -7.069 -1.137 -7.992 1.00 0.00 O1- ATOM 507 OE2 GLU A 36 -7.666 -3.210 -8.413 1.00 0.00 O ATOM 0 H GLU A 36 -9.248 -0.719 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.760 -3.608 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.954 -1.185 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.610 -2.686 -4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.380 -2.485 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.418 -3.896 -6.389 1.00 0.00 H new ATOM 514 N PRO A 37 -10.245 -3.006 -3.347 1.00 0.00 N ATOM 515 CA PRO A 37 -10.835 -2.904 -2.008 1.00 0.00 C ATOM 516 C PRO A 37 -9.835 -3.245 -0.908 1.00 0.00 C ATOM 517 O PRO A 37 -8.768 -3.797 -1.174 1.00 0.00 O ATOM 518 CB PRO A 37 -11.968 -3.933 -2.037 1.00 0.00 C ATOM 519 CG PRO A 37 -12.328 -4.058 -3.477 1.00 0.00 C ATOM 520 CD PRO A 37 -11.050 -3.858 -4.242 1.00 0.00 C ATOM 0 HA PRO A 37 -11.169 -1.890 -1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.645 -4.889 -1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.820 -3.601 -1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.760 -5.036 -3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.072 -3.313 -3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.553 -4.806 -4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.228 -3.375 -5.203 1.00 0.00 H new ATOM 528 N ARG A 38 -10.188 -2.911 0.330 1.00 0.00 N ATOM 529 CA ARG A 38 -9.321 -3.181 1.471 1.00 0.00 C ATOM 530 C ARG A 38 -10.004 -2.790 2.778 1.00 0.00 C ATOM 531 O ARG A 38 -11.202 -2.508 2.804 1.00 0.00 O ATOM 532 CB ARG A 38 -7.995 -2.429 1.322 1.00 0.00 C ATOM 533 CG ARG A 38 -8.116 -0.924 1.510 1.00 0.00 C ATOM 534 CD ARG A 38 -9.084 -0.312 0.511 1.00 0.00 C ATOM 535 NE ARG A 38 -8.770 1.087 0.229 1.00 0.00 N ATOM 536 CZ ARG A 38 -9.629 1.945 -0.315 1.00 0.00 C ATOM 537 NH1 ARG A 38 -10.856 1.552 -0.638 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -9.262 3.200 -0.537 1.00 0.00 N ATOM 0 H ARG A 38 -11.068 -2.453 0.568 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.118 -4.252 1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.283 -2.820 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.584 -2.630 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.454 -0.709 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.135 -0.462 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.057 -0.884 -0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.100 -0.384 0.900 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.837 1.426 0.463 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.144 0.588 -0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.510 2.214 -1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.321 3.507 -0.291 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.921 3.858 -0.954 1.00 0.00 H new ATOM 552 N GLU A 39 -9.234 -2.774 3.861 1.00 0.00 N ATOM 553 CA GLU A 39 -9.764 -2.416 5.171 1.00 0.00 C ATOM 554 C GLU A 39 -8.695 -1.742 6.025 1.00 0.00 C ATOM 555 O GLU A 39 -7.511 -1.771 5.691 1.00 0.00 O ATOM 556 CB GLU A 39 -10.295 -3.660 5.887 1.00 0.00 C ATOM 557 CG GLU A 39 -11.542 -3.398 6.717 1.00 0.00 C ATOM 558 CD GLU A 39 -12.663 -2.780 5.905 1.00 0.00 C ATOM 559 OE1 GLU A 39 -13.317 -3.518 5.138 1.00 0.00 O ATOM 560 OE2 GLU A 39 -12.888 -1.559 6.037 1.00 0.00 O1- ATOM 0 H GLU A 39 -8.240 -3.005 3.857 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.583 -1.712 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.516 -4.429 5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.514 -4.057 6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.888 -4.336 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.290 -2.736 7.545 1.00 0.00 H new ATOM 567 N HIS A 40 -9.121 -1.134 7.128 1.00 0.00 N ATOM 568 CA HIS A 40 -8.199 -0.452 8.028 1.00 0.00 C ATOM 569 C HIS A 40 -7.650 -1.416 9.078 1.00 0.00 C ATOM 570 O HIS A 40 -8.362 -2.303 9.550 1.00 0.00 O ATOM 571 CB HIS A 40 -8.898 0.723 8.714 1.00 0.00 C ATOM 572 CG HIS A 40 -10.211 0.358 9.334 1.00 0.00 C ATOM 573 ND1 HIS A 40 -10.320 -0.245 10.570 1.00 0.00 N ATOM 574 CD2 HIS A 40 -11.479 0.515 8.882 1.00 0.00 C ATOM 575 CE1 HIS A 40 -11.595 -0.444 10.850 1.00 0.00 C ATOM 576 NE2 HIS A 40 -12.319 0.009 9.843 1.00 0.00 N ATOM 0 H HIS A 40 -10.098 -1.100 7.419 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.365 -0.074 7.436 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.241 1.126 9.485 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.058 1.517 7.984 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.774 0.956 7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.980 -0.900 11.750 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.337 -0.013 9.788 1.00 0.00 H new ATOM 585 N PRO A 41 -6.370 -1.256 9.460 1.00 0.00 N ATOM 586 CA PRO A 41 -5.731 -2.118 10.458 1.00 0.00 C ATOM 587 C PRO A 41 -6.188 -1.800 11.877 1.00 0.00 C ATOM 588 O PRO A 41 -7.154 -1.063 12.079 1.00 0.00 O ATOM 589 CB PRO A 41 -4.246 -1.801 10.291 1.00 0.00 C ATOM 590 CG PRO A 41 -4.216 -0.396 9.798 1.00 0.00 C ATOM 591 CD PRO A 41 -5.446 -0.224 8.948 1.00 0.00 C ATOM 0 HA PRO A 41 -5.978 -3.169 10.311 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.710 -1.902 11.235 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.773 -2.480 9.582 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.216 0.309 10.630 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.313 -0.206 9.219 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.867 0.776 9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.226 -0.372 7.891 1.00 0.00 H new ATOM 599 N ILE A 42 -5.488 -2.360 12.858 1.00 0.00 N ATOM 600 CA ILE A 42 -5.820 -2.136 14.260 1.00 0.00 C ATOM 601 C ILE A 42 -4.738 -1.310 14.954 1.00 0.00 C ATOM 602 O ILE A 42 -3.641 -1.138 14.423 1.00 0.00 O ATOM 603 CB ILE A 42 -6.016 -3.474 15.010 1.00 0.00 C ATOM 604 CG1 ILE A 42 -6.796 -3.251 16.306 1.00 0.00 C ATOM 605 CG2 ILE A 42 -4.676 -4.136 15.299 1.00 0.00 C ATOM 606 CD1 ILE A 42 -7.456 -4.505 16.838 1.00 0.00 C ATOM 0 H ILE A 42 -4.687 -2.973 12.708 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.758 -1.581 14.286 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.592 -4.142 14.370 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.120 -2.857 17.064 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.560 -2.493 16.135 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.841 -5.075 15.827 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.158 -4.333 14.361 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.069 -3.474 15.917 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.991 -4.272 17.759 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.158 -4.889 16.098 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.695 -5.258 17.042 1.00 0.00 H new ATOM 618 N MET A 43 -5.054 -0.801 16.142 1.00 0.00 N ATOM 619 CA MET A 43 -4.111 0.007 16.911 1.00 0.00 C ATOM 620 C MET A 43 -2.729 -0.641 16.950 1.00 0.00 C ATOM 621 O MET A 43 -2.606 -1.866 16.943 1.00 0.00 O ATOM 622 CB MET A 43 -4.630 0.204 18.336 1.00 0.00 C ATOM 623 CG MET A 43 -4.974 -1.099 19.040 1.00 0.00 C ATOM 624 SD MET A 43 -3.847 -1.481 20.395 1.00 0.00 S ATOM 625 CE MET A 43 -2.987 -2.902 19.727 1.00 0.00 C ATOM 0 H MET A 43 -5.958 -0.934 16.594 1.00 0.00 H new ATOM 0 HA MET A 43 -4.020 0.976 16.419 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.877 0.735 18.919 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.516 0.838 18.307 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.992 -1.040 19.426 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.954 -1.914 18.316 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.822 -3.633 20.519 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.588 -3.352 18.937 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.027 -2.587 19.318 1.00 0.00 H new ATOM 635 N GLY A 44 -1.692 0.190 16.992 1.00 0.00 N ATOM 636 CA GLY A 44 -0.334 -0.319 17.031 1.00 0.00 C ATOM 637 C GLY A 44 0.693 0.735 16.669 1.00 0.00 C ATOM 638 O GLY A 44 0.356 1.760 16.075 1.00 0.00 O ATOM 0 H GLY A 44 -1.769 1.207 17.000 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.121 -0.701 18.030 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.245 -1.160 16.343 1.00 0.00 H new ATOM 642 N GLY A 45 1.948 0.484 17.026 1.00 0.00 N ATOM 643 CA GLY A 45 3.008 1.429 16.726 1.00 0.00 C ATOM 644 C GLY A 45 3.779 1.058 15.475 1.00 0.00 C ATOM 645 O GLY A 45 3.201 0.568 14.504 1.00 0.00 O ATOM 0 H GLY A 45 2.250 -0.357 17.518 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.580 2.424 16.603 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.695 1.480 17.571 1.00 0.00 H new ATOM 649 N ILE A 46 5.087 1.291 15.496 1.00 0.00 N ATOM 650 CA ILE A 46 5.938 0.978 14.354 1.00 0.00 C ATOM 651 C ILE A 46 6.641 -0.362 14.547 1.00 0.00 C ATOM 652 O ILE A 46 7.772 -0.551 14.099 1.00 0.00 O ATOM 653 CB ILE A 46 7.001 2.072 14.120 1.00 0.00 C ATOM 654 CG1 ILE A 46 6.406 3.462 14.354 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.568 1.964 12.712 1.00 0.00 C ATOM 656 CD1 ILE A 46 5.306 3.822 13.378 1.00 0.00 C ATOM 0 H ILE A 46 5.581 1.696 16.291 1.00 0.00 H new ATOM 0 HA ILE A 46 5.287 0.926 13.482 1.00 0.00 H new ATOM 0 HB ILE A 46 7.812 1.924 14.834 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.011 3.513 15.369 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.201 4.205 14.283 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.317 2.742 12.561 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.029 0.985 12.580 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.765 2.087 11.986 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.931 4.820 13.604 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.701 3.804 12.362 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.493 3.101 13.464 1.00 0.00 H new ATOM 668 N TYR A 47 5.964 -1.288 15.217 1.00 0.00 N ATOM 669 CA TYR A 47 6.526 -2.611 15.471 1.00 0.00 C ATOM 670 C TYR A 47 5.499 -3.704 15.193 1.00 0.00 C ATOM 671 O TYR A 47 5.807 -4.711 14.555 1.00 0.00 O ATOM 672 CB TYR A 47 7.016 -2.711 16.916 1.00 0.00 C ATOM 673 CG TYR A 47 8.156 -3.686 17.104 1.00 0.00 C ATOM 674 CD1 TYR A 47 9.253 -3.674 16.251 1.00 0.00 C ATOM 675 CD2 TYR A 47 8.136 -4.618 18.134 1.00 0.00 C ATOM 676 CE1 TYR A 47 10.297 -4.563 16.419 1.00 0.00 C ATOM 677 CE2 TYR A 47 9.176 -5.510 18.309 1.00 0.00 C ATOM 678 CZ TYR A 47 10.254 -5.479 17.449 1.00 0.00 C ATOM 679 OH TYR A 47 11.292 -6.366 17.620 1.00 0.00 O ATOM 0 H TYR A 47 5.027 -1.148 15.594 1.00 0.00 H new ATOM 0 HA TYR A 47 7.371 -2.753 14.797 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.334 -1.724 17.252 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.184 -3.011 17.553 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.290 -2.958 15.443 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.293 -4.646 18.809 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.142 -4.541 15.747 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.145 -6.228 19.115 1.00 0.00 H new ATOM 0 HH TYR A 47 11.106 -6.942 18.391 1.00 0.00 H new ATOM 689 N ASP A 48 4.277 -3.500 15.677 1.00 0.00 N ATOM 690 CA ASP A 48 3.204 -4.470 15.482 1.00 0.00 C ATOM 691 C ASP A 48 3.003 -4.773 14.000 1.00 0.00 C ATOM 692 O ASP A 48 2.817 -3.865 13.190 1.00 0.00 O ATOM 693 CB ASP A 48 1.901 -3.947 16.091 1.00 0.00 C ATOM 694 CG ASP A 48 1.153 -5.016 16.863 1.00 0.00 C ATOM 695 OD1 ASP A 48 1.468 -6.211 16.681 1.00 0.00 O1- ATOM 696 OD2 ASP A 48 0.252 -4.659 17.651 1.00 0.00 O ATOM 0 H ASP A 48 4.005 -2.672 16.207 1.00 0.00 H new ATOM 0 HA ASP A 48 3.488 -5.394 15.985 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.123 -3.112 16.755 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.261 -3.561 15.297 1.00 0.00 H new ATOM 701 N ALA A 49 3.042 -6.055 13.653 1.00 0.00 N ATOM 702 CA ALA A 49 2.864 -6.479 12.270 1.00 0.00 C ATOM 703 C ALA A 49 1.968 -7.714 12.181 1.00 0.00 C ATOM 704 O ALA A 49 2.326 -8.706 11.545 1.00 0.00 O ATOM 705 CB ALA A 49 4.216 -6.757 11.630 1.00 0.00 C ATOM 0 H ALA A 49 3.195 -6.819 14.311 1.00 0.00 H new ATOM 0 HA ALA A 49 2.374 -5.671 11.727 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.071 -7.073 10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.822 -5.851 11.651 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.725 -7.546 12.183 1.00 0.00 H new ATOM 711 N PRO A 50 0.785 -7.671 12.820 1.00 0.00 N ATOM 712 CA PRO A 50 -0.159 -8.794 12.807 1.00 0.00 C ATOM 713 C PRO A 50 -0.631 -9.140 11.398 1.00 0.00 C ATOM 714 O PRO A 50 -0.221 -10.150 10.826 1.00 0.00 O ATOM 715 CB PRO A 50 -1.332 -8.302 13.666 1.00 0.00 C ATOM 716 CG PRO A 50 -1.192 -6.818 13.716 1.00 0.00 C ATOM 717 CD PRO A 50 0.278 -6.532 13.603 1.00 0.00 C ATOM 0 HA PRO A 50 0.299 -9.708 13.185 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.288 -8.592 13.229 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.295 -8.734 14.666 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.744 -6.347 12.902 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.596 -6.420 14.647 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.466 -5.583 13.101 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.753 -6.474 14.582 1.00 0.00 H new ATOM 725 N LEU A 51 -1.494 -8.297 10.847 1.00 0.00 N ATOM 726 CA LEU A 51 -2.025 -8.510 9.506 1.00 0.00 C ATOM 727 C LEU A 51 -2.794 -9.826 9.429 1.00 0.00 C ATOM 728 O LEU A 51 -2.275 -10.832 8.946 1.00 0.00 O ATOM 729 CB LEU A 51 -0.892 -8.506 8.478 1.00 0.00 C ATOM 730 CG LEU A 51 -1.340 -8.658 7.021 1.00 0.00 C ATOM 731 CD1 LEU A 51 -0.745 -7.555 6.157 1.00 0.00 C ATOM 732 CD2 LEU A 51 -0.952 -10.027 6.481 1.00 0.00 C ATOM 0 H LEU A 51 -1.842 -7.457 11.309 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.712 -7.694 9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.336 -7.574 8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.202 -9.315 8.717 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.426 -8.570 6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.076 -7.682 5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.075 -6.585 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.343 -7.608 6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.279 -10.115 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.130 -10.145 6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.429 -10.803 7.080 1.00 0.00 H new ATOM 744 N ASN A 52 -4.033 -9.809 9.908 1.00 0.00 N ATOM 745 CA ASN A 52 -4.874 -11.001 9.893 1.00 0.00 C ATOM 746 C ASN A 52 -5.305 -11.345 8.471 1.00 0.00 C ATOM 747 O ASN A 52 -5.496 -12.513 8.135 1.00 0.00 O ATOM 748 CB ASN A 52 -6.106 -10.792 10.776 1.00 0.00 C ATOM 749 CG ASN A 52 -6.508 -12.053 11.514 1.00 0.00 C ATOM 750 OD1 ASN A 52 -6.667 -13.115 10.912 1.00 0.00 O ATOM 751 ND2 ASN A 52 -6.676 -11.942 12.827 1.00 0.00 N ATOM 0 H ASN A 52 -4.477 -8.984 10.311 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.290 -11.833 10.287 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.902 -10.001 11.498 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.939 -10.454 10.159 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.947 -12.757 13.377 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.534 -11.042 13.285 1.00 0.00 H new ATOM 758 N ASN A 53 -5.457 -10.319 7.639 1.00 0.00 N ATOM 759 CA ASN A 53 -5.865 -10.513 6.253 1.00 0.00 C ATOM 760 C ASN A 53 -4.686 -10.966 5.397 1.00 0.00 C ATOM 761 O ASN A 53 -4.287 -10.279 4.456 1.00 0.00 O ATOM 762 CB ASN A 53 -6.457 -9.220 5.689 1.00 0.00 C ATOM 763 CG ASN A 53 -5.509 -8.044 5.821 1.00 0.00 C ATOM 764 OD1 ASN A 53 -4.692 -7.788 4.937 1.00 0.00 O ATOM 765 ND2 ASN A 53 -5.614 -7.321 6.930 1.00 0.00 N ATOM 0 H ASN A 53 -5.304 -9.345 7.901 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.627 -11.293 6.229 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.706 -9.366 4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.388 -8.993 6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.003 -6.517 7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.306 -7.569 7.637 1.00 0.00 H new ATOM 772 N GLU A 54 -4.132 -12.128 5.730 1.00 0.00 N ATOM 773 CA GLU A 54 -2.999 -12.674 4.992 1.00 0.00 C ATOM 774 C GLU A 54 -3.451 -13.729 3.985 1.00 0.00 C ATOM 775 O GLU A 54 -2.643 -14.519 3.498 1.00 0.00 O ATOM 776 CB GLU A 54 -1.981 -13.281 5.959 1.00 0.00 C ATOM 777 CG GLU A 54 -2.515 -14.473 6.736 1.00 0.00 C ATOM 778 CD GLU A 54 -1.538 -14.972 7.782 1.00 0.00 C ATOM 779 OE1 GLU A 54 -0.792 -14.142 8.342 1.00 0.00 O ATOM 780 OE2 GLU A 54 -1.519 -16.194 8.041 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.449 -12.709 6.506 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.532 -11.856 4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.099 -13.589 5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.659 -12.514 6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.451 -14.196 7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.743 -15.282 6.042 1.00 0.00 H new ATOM 787 N ASN A 55 -4.746 -13.739 3.675 1.00 0.00 N ATOM 788 CA ASN A 55 -5.296 -14.700 2.725 1.00 0.00 C ATOM 789 C ASN A 55 -4.617 -14.572 1.366 1.00 0.00 C ATOM 790 O ASN A 55 -4.309 -15.572 0.718 1.00 0.00 O ATOM 791 CB ASN A 55 -6.804 -14.494 2.576 1.00 0.00 C ATOM 792 CG ASN A 55 -7.525 -14.507 3.910 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.817 -15.568 4.461 1.00 0.00 O ATOM 794 ND2 ASN A 55 -7.815 -13.323 4.437 1.00 0.00 N ATOM 0 H ASN A 55 -5.431 -13.094 4.067 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.109 -15.702 3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.990 -13.544 2.075 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.213 -15.277 1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.299 -13.268 5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.554 -12.468 3.945 1.00 0.00 H new ATOM 801 N GLY A 56 -4.385 -13.334 0.940 1.00 0.00 N ATOM 802 CA GLY A 56 -3.743 -13.099 -0.340 1.00 0.00 C ATOM 803 C GLY A 56 -4.448 -12.032 -1.155 1.00 0.00 C ATOM 804 O GLY A 56 -3.805 -11.148 -1.721 1.00 0.00 O ATOM 0 H GLY A 56 -4.630 -12.490 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.708 -12.801 -0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.720 -14.029 -0.908 1.00 0.00 H new ATOM 808 N PHE A 57 -5.773 -12.115 -1.216 1.00 0.00 N ATOM 809 CA PHE A 57 -6.565 -11.150 -1.968 1.00 0.00 C ATOM 810 C PHE A 57 -6.496 -9.770 -1.323 1.00 0.00 C ATOM 811 O PHE A 57 -6.407 -8.754 -2.013 1.00 0.00 O ATOM 812 CB PHE A 57 -8.020 -11.612 -2.058 1.00 0.00 C ATOM 813 CG PHE A 57 -8.189 -12.934 -2.751 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.187 -13.010 -4.135 1.00 0.00 C ATOM 815 CD2 PHE A 57 -8.349 -14.099 -2.020 1.00 0.00 C ATOM 816 CE1 PHE A 57 -8.342 -14.225 -4.776 1.00 0.00 C ATOM 817 CE2 PHE A 57 -8.505 -15.317 -2.655 1.00 0.00 C ATOM 818 CZ PHE A 57 -8.501 -15.380 -4.035 1.00 0.00 C ATOM 0 H PHE A 57 -6.320 -12.841 -0.753 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.150 -11.082 -2.974 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.433 -11.683 -1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.600 -10.857 -2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.063 -12.110 -4.719 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.352 -14.056 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.339 -14.271 -5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.630 -16.218 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.622 -16.330 -4.534 1.00 0.00 H new ATOM 828 N ASP A 58 -6.539 -9.740 0.005 1.00 0.00 N ATOM 829 CA ASP A 58 -6.482 -8.485 0.744 1.00 0.00 C ATOM 830 C ASP A 58 -5.105 -7.841 0.618 1.00 0.00 C ATOM 831 O ASP A 58 -4.990 -6.652 0.320 1.00 0.00 O ATOM 832 CB ASP A 58 -6.813 -8.722 2.219 1.00 0.00 C ATOM 833 CG ASP A 58 -7.477 -7.520 2.862 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.719 -7.415 2.784 1.00 0.00 O1- ATOM 835 OD2 ASP A 58 -6.754 -6.684 3.444 1.00 0.00 O ATOM 0 H ASP A 58 -6.613 -10.571 0.591 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.221 -7.807 0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.470 -9.587 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.898 -8.961 2.760 1.00 0.00 H new ATOM 840 N LYS A 59 -4.063 -8.634 0.845 1.00 0.00 N ATOM 841 CA LYS A 59 -2.694 -8.140 0.757 1.00 0.00 C ATOM 842 C LYS A 59 -2.378 -7.663 -0.658 1.00 0.00 C ATOM 843 O LYS A 59 -1.716 -6.642 -0.847 1.00 0.00 O ATOM 844 CB LYS A 59 -1.706 -9.232 1.178 1.00 0.00 C ATOM 845 CG LYS A 59 -1.564 -10.355 0.163 1.00 0.00 C ATOM 846 CD LYS A 59 -0.501 -11.356 0.583 1.00 0.00 C ATOM 847 CE LYS A 59 0.812 -11.113 -0.144 1.00 0.00 C ATOM 848 NZ LYS A 59 1.939 -11.863 0.477 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.141 -9.621 1.091 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.594 -7.293 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.728 -8.780 1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.029 -9.654 2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.520 -10.865 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.307 -9.937 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.340 -11.288 1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.851 -12.368 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.709 -11.411 -1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.038 -10.047 -0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.822 -11.644 -0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.032 -11.586 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.751 -12.884 0.418 1.00 0.00 H new ATOM 862 N GLU A 60 -2.855 -8.410 -1.648 1.00 0.00 N ATOM 863 CA GLU A 60 -2.623 -8.065 -3.046 1.00 0.00 C ATOM 864 C GLU A 60 -3.324 -6.761 -3.410 1.00 0.00 C ATOM 865 O GLU A 60 -2.714 -5.854 -3.977 1.00 0.00 O ATOM 866 CB GLU A 60 -3.111 -9.192 -3.958 1.00 0.00 C ATOM 867 CG GLU A 60 -2.223 -10.425 -3.930 1.00 0.00 C ATOM 868 CD GLU A 60 -1.318 -10.520 -5.143 1.00 0.00 C ATOM 869 OE1 GLU A 60 -1.840 -10.497 -6.277 1.00 0.00 O1- ATOM 870 OE2 GLU A 60 -0.086 -10.617 -4.958 1.00 0.00 O ATOM 0 H GLU A 60 -3.404 -9.258 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.551 -7.930 -3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.121 -9.475 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.170 -8.820 -4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.613 -10.408 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.848 -11.317 -3.877 1.00 0.00 H new ATOM 877 N ASP A 61 -4.610 -6.673 -3.083 1.00 0.00 N ATOM 878 CA ASP A 61 -5.394 -5.478 -3.376 1.00 0.00 C ATOM 879 C ASP A 61 -4.771 -4.245 -2.728 1.00 0.00 C ATOM 880 O ASP A 61 -4.645 -3.196 -3.360 1.00 0.00 O ATOM 881 CB ASP A 61 -6.832 -5.654 -2.887 1.00 0.00 C ATOM 882 CG ASP A 61 -7.566 -6.752 -3.632 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.241 -6.986 -4.815 1.00 0.00 O ATOM 884 OD2 ASP A 61 -8.465 -7.378 -3.032 1.00 0.00 O1- ATOM 0 H ASP A 61 -5.131 -7.415 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.400 -5.334 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.825 -5.884 -1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.371 -4.714 -3.007 1.00 0.00 H new ATOM 889 N LEU A 62 -4.383 -4.381 -1.465 1.00 0.00 N ATOM 890 CA LEU A 62 -3.772 -3.279 -0.730 1.00 0.00 C ATOM 891 C LEU A 62 -2.468 -2.842 -1.390 1.00 0.00 C ATOM 892 O LEU A 62 -2.278 -1.664 -1.692 1.00 0.00 O ATOM 893 CB LEU A 62 -3.515 -3.690 0.722 1.00 0.00 C ATOM 894 CG LEU A 62 -2.720 -2.684 1.561 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.178 -1.261 1.280 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.859 -3.006 3.040 1.00 0.00 C ATOM 0 H LEU A 62 -4.481 -5.243 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.463 -2.436 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.475 -3.863 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.981 -4.640 0.723 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.669 -2.761 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.599 -0.566 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.029 -1.032 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.235 -1.164 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.289 -2.284 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.910 -2.956 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.478 -4.009 3.231 1.00 0.00 H new ATOM 908 N ALA A 63 -1.571 -3.799 -1.611 1.00 0.00 N ATOM 909 CA ALA A 63 -0.284 -3.514 -2.235 1.00 0.00 C ATOM 910 C ALA A 63 -0.467 -2.826 -3.585 1.00 0.00 C ATOM 911 O ALA A 63 0.086 -1.753 -3.825 1.00 0.00 O ATOM 912 CB ALA A 63 0.518 -4.796 -2.399 1.00 0.00 C ATOM 0 H ALA A 63 -1.713 -4.779 -1.367 1.00 0.00 H new ATOM 0 HA ALA A 63 0.265 -2.835 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.476 -4.568 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.689 -5.246 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.035 -5.494 -3.028 1.00 0.00 H new ATOM 918 N ARG A 64 -1.248 -3.449 -4.461 1.00 0.00 N ATOM 919 CA ARG A 64 -1.505 -2.895 -5.785 1.00 0.00 C ATOM 920 C ARG A 64 -2.212 -1.547 -5.679 1.00 0.00 C ATOM 921 O ARG A 64 -1.952 -0.635 -6.463 1.00 0.00 O ATOM 922 CB ARG A 64 -2.352 -3.865 -6.611 1.00 0.00 C ATOM 923 CG ARG A 64 -2.082 -3.787 -8.105 1.00 0.00 C ATOM 924 CD ARG A 64 -2.329 -2.387 -8.644 1.00 0.00 C ATOM 925 NE ARG A 64 -2.607 -2.393 -10.078 1.00 0.00 N ATOM 926 CZ ARG A 64 -3.695 -2.934 -10.620 1.00 0.00 C ATOM 927 NH1 ARG A 64 -4.610 -3.513 -9.852 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -3.869 -2.897 -11.934 1.00 0.00 N ATOM 0 H ARG A 64 -1.714 -4.338 -4.278 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.547 -2.746 -6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.163 -4.882 -6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.407 -3.659 -6.429 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.051 -4.078 -8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.721 -4.498 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.169 -1.938 -8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.457 -1.764 -8.447 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.927 -1.957 -10.701 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.481 -3.545 -8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.442 -3.926 -10.273 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.169 -2.454 -12.529 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.703 -3.312 -12.350 1.00 0.00 H new ATOM 942 N PHE A 65 -3.105 -1.431 -4.703 1.00 0.00 N ATOM 943 CA PHE A 65 -3.851 -0.197 -4.488 1.00 0.00 C ATOM 944 C PHE A 65 -2.905 0.969 -4.219 1.00 0.00 C ATOM 945 O PHE A 65 -2.933 1.977 -4.923 1.00 0.00 O ATOM 946 CB PHE A 65 -4.825 -0.364 -3.320 1.00 0.00 C ATOM 947 CG PHE A 65 -5.607 0.879 -3.002 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.515 1.394 -3.914 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.433 1.531 -1.793 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.236 2.537 -3.624 1.00 0.00 C ATOM 951 CE2 PHE A 65 -6.150 2.675 -1.497 1.00 0.00 C ATOM 952 CZ PHE A 65 -7.053 3.179 -2.414 1.00 0.00 C ATOM 0 H PHE A 65 -3.330 -2.178 -4.047 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.417 0.022 -5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.521 -1.171 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.267 -0.668 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.661 0.897 -4.862 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.729 1.141 -1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.942 2.928 -4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.005 3.174 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.614 4.073 -2.185 1.00 0.00 H new ATOM 962 N ALA A 66 -2.070 0.824 -3.195 1.00 0.00 N ATOM 963 CA ALA A 66 -1.116 1.866 -2.835 1.00 0.00 C ATOM 964 C ALA A 66 -0.154 2.150 -3.984 1.00 0.00 C ATOM 965 O ALA A 66 -0.010 3.293 -4.422 1.00 0.00 O ATOM 966 CB ALA A 66 -0.345 1.467 -1.585 1.00 0.00 C ATOM 0 H ALA A 66 -2.035 -0.004 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.674 2.779 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.364 2.254 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.041 1.321 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.196 0.539 -1.772 1.00 0.00 H new ATOM 972 N VAL A 67 0.503 1.101 -4.472 1.00 0.00 N ATOM 973 CA VAL A 67 1.451 1.236 -5.571 1.00 0.00 C ATOM 974 C VAL A 67 0.828 1.987 -6.744 1.00 0.00 C ATOM 975 O VAL A 67 1.373 2.985 -7.217 1.00 0.00 O ATOM 976 CB VAL A 67 1.945 -0.140 -6.060 1.00 0.00 C ATOM 977 CG1 VAL A 67 3.002 0.023 -7.143 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.486 -0.959 -4.896 1.00 0.00 C ATOM 0 H VAL A 67 0.395 0.149 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 67 2.300 1.803 -5.189 1.00 0.00 H new ATOM 0 HB VAL A 67 1.099 -0.676 -6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.338 -0.960 -7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.577 0.565 -7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.849 0.580 -6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.830 -1.927 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.319 -0.429 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.697 -1.109 -4.159 1.00 0.00 H new ATOM 988 N ARG A 68 -0.319 1.503 -7.206 1.00 0.00 N ATOM 989 CA ARG A 68 -1.020 2.128 -8.320 1.00 0.00 C ATOM 990 C ARG A 68 -1.515 3.520 -7.935 1.00 0.00 C ATOM 991 O ARG A 68 -1.627 4.405 -8.783 1.00 0.00 O ATOM 992 CB ARG A 68 -2.195 1.252 -8.762 1.00 0.00 C ATOM 993 CG ARG A 68 -3.057 1.882 -9.844 1.00 0.00 C ATOM 994 CD ARG A 68 -3.961 0.854 -10.506 1.00 0.00 C ATOM 995 NE ARG A 68 -3.441 0.422 -11.802 1.00 0.00 N ATOM 996 CZ ARG A 68 -4.178 -0.179 -12.733 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.465 -0.422 -12.517 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -3.626 -0.539 -13.884 1.00 0.00 N ATOM 0 H ARG A 68 -0.783 0.678 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.323 2.230 -9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.809 0.300 -9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.819 1.033 -7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.664 2.676 -9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.418 2.344 -10.596 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.067 -0.011 -9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.957 1.278 -10.638 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.456 0.591 -12.005 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.895 -0.148 -11.633 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.024 -0.883 -13.235 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.637 -0.355 -14.055 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.190 -1.000 -14.598 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.811 3.705 -6.652 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.294 4.989 -6.156 1.00 0.00 C ATOM 1014 C GLU A 69 -1.233 6.070 -6.323 1.00 0.00 C ATOM 1015 O GLU A 69 -1.540 7.205 -6.689 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.694 4.873 -4.683 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.221 6.170 -4.091 1.00 0.00 C ATOM 1018 CD GLU A 69 -4.450 6.684 -4.815 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -4.293 7.283 -5.900 1.00 0.00 O ATOM 1020 OE2 GLU A 69 -5.570 6.487 -4.298 1.00 0.00 O1- ATOM 0 H GLU A 69 -1.725 2.982 -5.937 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.169 5.271 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.457 4.101 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.830 4.545 -4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.462 6.014 -3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.438 6.927 -4.129 1.00 0.00 H new ATOM 1027 N TYR A 70 0.018 5.713 -6.052 1.00 0.00 N ATOM 1028 CA TYR A 70 1.123 6.656 -6.173 1.00 0.00 C ATOM 1029 C TYR A 70 1.745 6.598 -7.570 1.00 0.00 C ATOM 1030 O TYR A 70 2.427 7.530 -7.996 1.00 0.00 O ATOM 1031 CB TYR A 70 2.183 6.370 -5.100 1.00 0.00 C ATOM 1032 CG TYR A 70 3.299 5.451 -5.553 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.386 5.945 -6.262 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.262 4.091 -5.273 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.405 5.111 -6.679 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.277 3.250 -5.686 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.346 3.764 -6.389 1.00 0.00 C ATOM 1038 OH TYR A 70 6.359 2.930 -6.802 1.00 0.00 O ATOM 0 H TYR A 70 0.291 4.779 -5.748 1.00 0.00 H new ATOM 0 HA TYR A 70 0.732 7.662 -6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.617 7.315 -4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.694 5.928 -4.232 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.435 6.999 -6.491 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.426 3.684 -4.723 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.244 5.512 -7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.233 2.195 -5.459 1.00 0.00 H new ATOM 0 HH TYR A 70 6.616 2.337 -6.065 1.00 0.00 H new ATOM 1048 N ASN A 71 1.514 5.494 -8.274 1.00 0.00 N ATOM 1049 CA ASN A 71 2.059 5.313 -9.615 1.00 0.00 C ATOM 1050 C ASN A 71 1.170 5.957 -10.677 1.00 0.00 C ATOM 1051 O ASN A 71 1.634 6.279 -11.770 1.00 0.00 O ATOM 1052 CB ASN A 71 2.233 3.824 -9.917 1.00 0.00 C ATOM 1053 CG ASN A 71 3.522 3.266 -9.346 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.507 2.500 -8.382 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.646 3.648 -9.939 1.00 0.00 N ATOM 0 H ASN A 71 0.953 4.711 -7.938 1.00 0.00 H new ATOM 0 HA ASN A 71 3.030 5.807 -9.646 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.388 3.271 -9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.220 3.671 -10.996 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.544 3.305 -9.599 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.612 4.284 -10.735 1.00 0.00 H new ATOM 1062 N ASN A 72 -0.109 6.135 -10.358 1.00 0.00 N ATOM 1063 CA ASN A 72 -1.050 6.732 -11.301 1.00 0.00 C ATOM 1064 C ASN A 72 -0.994 8.258 -11.253 1.00 0.00 C ATOM 1065 O ASN A 72 -1.142 8.925 -12.277 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.475 6.242 -11.015 1.00 0.00 C ATOM 1067 CG ASN A 72 -3.172 7.040 -9.927 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -3.037 6.593 -8.685 1.00 0.00 O flip ATOM 1069 ND2 ASN A 72 -3.823 8.048 -10.201 1.00 0.00 N flip ATOM 0 H ASN A 72 -0.516 5.876 -9.459 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.762 6.418 -12.304 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.063 6.298 -11.931 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.440 5.193 -10.722 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.901 8.357 -11.170 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.284 8.574 -9.459 1.00 0.00 H new ATOM 1076 N LYS A 73 -0.788 8.806 -10.058 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.725 10.255 -9.881 1.00 0.00 C ATOM 1078 C LYS A 73 0.236 10.899 -10.875 1.00 0.00 C ATOM 1079 O LYS A 73 -0.081 11.920 -11.484 1.00 0.00 O ATOM 1080 CB LYS A 73 -0.307 10.612 -8.453 1.00 0.00 C ATOM 1081 CG LYS A 73 0.744 9.685 -7.869 1.00 0.00 C ATOM 1082 CD LYS A 73 1.438 10.317 -6.673 1.00 0.00 C ATOM 1083 CE LYS A 73 2.838 9.760 -6.480 1.00 0.00 C ATOM 1084 NZ LYS A 73 3.616 10.544 -5.482 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.662 8.270 -9.199 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.725 10.646 -10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.076 11.632 -8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.188 10.595 -7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.277 8.747 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.482 9.442 -8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.491 11.397 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.848 10.140 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.774 8.722 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.365 9.763 -7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.565 10.131 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.700 11.529 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.127 10.520 -4.564 1.00 0.00 H new ATOM 1098 N ASN A 74 1.415 10.306 -11.028 1.00 0.00 N ATOM 1099 CA ASN A 74 2.416 10.835 -11.938 1.00 0.00 C ATOM 1100 C ASN A 74 3.648 9.934 -12.002 1.00 0.00 C ATOM 1101 O ASN A 74 4.297 9.832 -13.043 1.00 0.00 O ATOM 1102 CB ASN A 74 2.813 12.242 -11.500 1.00 0.00 C ATOM 1103 CG ASN A 74 2.956 12.370 -9.993 1.00 0.00 C ATOM 1104 OD1 ASN A 74 4.009 11.778 -9.444 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 2.127 12.995 -9.332 1.00 0.00 N flip ATOM 0 H ASN A 74 1.698 9.460 -10.533 1.00 0.00 H new ATOM 0 HA ASN A 74 1.983 10.872 -12.938 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.756 12.513 -11.974 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.064 12.952 -11.851 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.332 13.435 -9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.235 13.073 -8.321 1.00 0.00 H new ATOM 1112 N ASN A 75 3.969 9.283 -10.886 1.00 0.00 N ATOM 1113 CA ASN A 75 5.126 8.394 -10.822 1.00 0.00 C ATOM 1114 C ASN A 75 5.131 7.408 -11.987 1.00 0.00 C ATOM 1115 O ASN A 75 4.186 7.358 -12.775 1.00 0.00 O ATOM 1116 CB ASN A 75 5.138 7.634 -9.493 1.00 0.00 C ATOM 1117 CG ASN A 75 6.507 7.630 -8.842 1.00 0.00 C ATOM 1118 OD1 ASN A 75 7.265 6.563 -9.065 1.00 0.00 O flip ATOM 1119 ND2 ASN A 75 6.878 8.575 -8.146 1.00 0.00 N flip ATOM 0 H ASN A 75 3.444 9.355 -10.014 1.00 0.00 H new ATOM 0 HA ASN A 75 6.024 9.008 -10.892 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.416 8.086 -8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.816 6.606 -9.662 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.262 9.375 -8.002 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.802 8.558 -7.714 1.00 0.00 H new ATOM 1126 N ALA A 76 6.201 6.626 -12.091 1.00 0.00 N ATOM 1127 CA ALA A 76 6.330 5.644 -13.160 1.00 0.00 C ATOM 1128 C ALA A 76 5.213 4.608 -13.093 1.00 0.00 C ATOM 1129 O ALA A 76 4.288 4.728 -12.290 1.00 0.00 O ATOM 1130 CB ALA A 76 7.688 4.963 -13.089 1.00 0.00 C ATOM 0 H ALA A 76 6.991 6.654 -11.447 1.00 0.00 H new ATOM 0 HA ALA A 76 6.247 6.168 -14.112 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.771 4.232 -13.893 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.475 5.709 -13.195 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.792 4.459 -12.128 1.00 0.00 H new ATOM 1136 N LEU A 77 5.306 3.590 -13.943 1.00 0.00 N ATOM 1137 CA LEU A 77 4.304 2.532 -13.980 1.00 0.00 C ATOM 1138 C LEU A 77 4.947 1.166 -13.755 1.00 0.00 C ATOM 1139 O LEU A 77 5.336 0.487 -14.705 1.00 0.00 O ATOM 1140 CB LEU A 77 3.562 2.550 -15.320 1.00 0.00 C ATOM 1141 CG LEU A 77 2.041 2.678 -15.216 1.00 0.00 C ATOM 1142 CD1 LEU A 77 1.471 1.571 -14.344 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.659 4.044 -14.665 1.00 0.00 C ATOM 0 H LEU A 77 6.065 3.476 -14.615 1.00 0.00 H new ATOM 0 HA LEU A 77 3.590 2.712 -13.177 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.941 3.379 -15.917 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.798 1.634 -15.861 1.00 0.00 H new ATOM 0 HG LEU A 77 1.617 2.579 -16.215 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.388 1.678 -14.282 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.715 0.602 -14.780 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.900 1.638 -13.344 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.574 4.119 -14.597 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.094 4.171 -13.674 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.035 4.822 -15.329 1.00 0.00 H new ATOM 1155 N LEU A 78 5.054 0.772 -12.490 1.00 0.00 N ATOM 1156 CA LEU A 78 5.649 -0.513 -12.137 1.00 0.00 C ATOM 1157 C LEU A 78 4.575 -1.502 -11.697 1.00 0.00 C ATOM 1158 O LEU A 78 3.384 -1.191 -11.724 1.00 0.00 O ATOM 1159 CB LEU A 78 6.686 -0.335 -11.024 1.00 0.00 C ATOM 1160 CG LEU A 78 6.368 0.764 -10.007 1.00 0.00 C ATOM 1161 CD1 LEU A 78 5.084 0.443 -9.259 1.00 0.00 C ATOM 1162 CD2 LEU A 78 7.525 0.940 -9.035 1.00 0.00 C ATOM 0 H LEU A 78 4.737 1.323 -11.693 1.00 0.00 H new ATOM 0 HA LEU A 78 6.146 -0.911 -13.021 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.791 -1.281 -10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.652 -0.117 -11.480 1.00 0.00 H new ATOM 0 HG LEU A 78 6.225 1.701 -10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.874 1.235 -8.540 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.259 0.368 -9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.197 -0.504 -8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.282 1.725 -8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.699 0.005 -8.503 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.424 1.217 -9.586 1.00 0.00 H new ATOM 1174 N GLU A 79 4.999 -2.697 -11.296 1.00 0.00 N ATOM 1175 CA GLU A 79 4.065 -3.727 -10.855 1.00 0.00 C ATOM 1176 C GLU A 79 4.590 -4.453 -9.621 1.00 0.00 C ATOM 1177 O GLU A 79 5.737 -4.898 -9.591 1.00 0.00 O ATOM 1178 CB GLU A 79 3.812 -4.730 -11.982 1.00 0.00 C ATOM 1179 CG GLU A 79 5.082 -5.212 -12.664 1.00 0.00 C ATOM 1180 CD GLU A 79 5.338 -4.509 -13.983 1.00 0.00 C ATOM 1181 OE1 GLU A 79 5.200 -3.269 -14.032 1.00 0.00 O1- ATOM 1182 OE2 GLU A 79 5.676 -5.200 -14.967 1.00 0.00 O ATOM 0 H GLU A 79 5.980 -2.975 -11.267 1.00 0.00 H new ATOM 0 HA GLU A 79 3.126 -3.239 -10.592 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.277 -5.590 -11.579 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.162 -4.271 -12.726 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.931 -5.050 -12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.012 -6.286 -12.836 1.00 0.00 H new ATOM 1189 N PHE A 80 3.739 -4.574 -8.607 1.00 0.00 N ATOM 1190 CA PHE A 80 4.115 -5.250 -7.371 1.00 0.00 C ATOM 1191 C PHE A 80 4.004 -6.766 -7.531 1.00 0.00 C ATOM 1192 O PHE A 80 3.171 -7.258 -8.292 1.00 0.00 O ATOM 1193 CB PHE A 80 3.238 -4.760 -6.208 1.00 0.00 C ATOM 1194 CG PHE A 80 2.086 -5.669 -5.875 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.929 -5.653 -6.636 1.00 0.00 C ATOM 1196 CD2 PHE A 80 2.167 -6.542 -4.802 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.127 -6.491 -6.334 1.00 0.00 C ATOM 1198 CE2 PHE A 80 1.114 -7.382 -4.494 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.035 -7.357 -5.262 1.00 0.00 C ATOM 0 H PHE A 80 2.785 -4.213 -8.617 1.00 0.00 H new ATOM 0 HA PHE A 80 5.154 -5.009 -7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.862 -4.644 -5.322 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.847 -3.773 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.851 -4.978 -7.475 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.063 -6.566 -4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.024 -6.469 -6.936 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.189 -8.057 -3.654 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.859 -8.013 -5.024 1.00 0.00 H new ATOM 1209 N VAL A 81 4.846 -7.499 -6.811 1.00 0.00 N ATOM 1210 CA VAL A 81 4.834 -8.955 -6.878 1.00 0.00 C ATOM 1211 C VAL A 81 4.169 -9.554 -5.645 1.00 0.00 C ATOM 1212 O VAL A 81 3.472 -10.565 -5.733 1.00 0.00 O ATOM 1213 CB VAL A 81 6.258 -9.527 -7.013 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.817 -9.248 -8.399 1.00 0.00 C ATOM 1215 CG2 VAL A 81 7.170 -8.956 -5.938 1.00 0.00 C ATOM 0 H VAL A 81 5.543 -7.110 -6.176 1.00 0.00 H new ATOM 0 HA VAL A 81 4.261 -9.226 -7.765 1.00 0.00 H new ATOM 0 HB VAL A 81 6.208 -10.607 -6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.823 -9.660 -8.475 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.177 -9.712 -9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.852 -8.172 -8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.171 -9.373 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.215 -7.871 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.779 -9.214 -4.954 1.00 0.00 H new ATOM 1225 N ARG A 82 4.386 -8.921 -4.495 1.00 0.00 N ATOM 1226 CA ARG A 82 3.807 -9.386 -3.238 1.00 0.00 C ATOM 1227 C ARG A 82 4.308 -8.549 -2.066 1.00 0.00 C ATOM 1228 O ARG A 82 5.285 -7.812 -2.192 1.00 0.00 O ATOM 1229 CB ARG A 82 4.145 -10.856 -3.002 1.00 0.00 C ATOM 1230 CG ARG A 82 5.628 -11.139 -3.088 1.00 0.00 C ATOM 1231 CD ARG A 82 5.902 -12.596 -3.426 1.00 0.00 C ATOM 1232 NE ARG A 82 7.096 -12.750 -4.254 1.00 0.00 N ATOM 1233 CZ ARG A 82 7.596 -13.928 -4.621 1.00 0.00 C ATOM 1234 NH1 ARG A 82 7.010 -15.055 -4.237 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 8.685 -13.979 -5.376 1.00 0.00 N ATOM 0 H ARG A 82 4.960 -8.082 -4.408 1.00 0.00 H new ATOM 0 HA ARG A 82 2.725 -9.277 -3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.779 -11.155 -2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.620 -11.467 -3.737 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.078 -10.498 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.102 -10.890 -2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.024 -13.165 -2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.042 -13.015 -3.948 1.00 0.00 H new ATOM 0 HE ARG A 82 7.574 -11.906 -4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.171 -15.022 -3.657 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.398 -15.954 -4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.139 -13.116 -5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.069 -14.881 -5.658 1.00 0.00 H new ATOM 1249 N VAL A 83 3.633 -8.669 -0.928 1.00 0.00 N ATOM 1250 CA VAL A 83 4.010 -7.923 0.264 1.00 0.00 C ATOM 1251 C VAL A 83 5.029 -8.693 1.101 1.00 0.00 C ATOM 1252 O VAL A 83 4.942 -9.913 1.235 1.00 0.00 O ATOM 1253 CB VAL A 83 2.778 -7.593 1.134 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.670 -6.985 0.285 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.280 -8.832 1.866 1.00 0.00 C ATOM 0 H VAL A 83 2.822 -9.276 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 83 4.462 -6.991 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 83 3.078 -6.859 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.810 -6.759 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.030 -6.067 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.375 -7.693 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.412 -8.572 2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.001 -9.596 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.070 -9.216 2.511 1.00 0.00 H new ATOM 1265 N VAL A 84 5.991 -7.969 1.662 1.00 0.00 N ATOM 1266 CA VAL A 84 7.025 -8.580 2.489 1.00 0.00 C ATOM 1267 C VAL A 84 6.927 -8.111 3.941 1.00 0.00 C ATOM 1268 O VAL A 84 7.501 -8.727 4.839 1.00 0.00 O ATOM 1269 CB VAL A 84 8.434 -8.263 1.948 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.678 -6.761 1.931 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.497 -8.979 2.770 1.00 0.00 C ATOM 0 H VAL A 84 6.076 -6.958 1.559 1.00 0.00 H new ATOM 0 HA VAL A 84 6.863 -9.657 2.452 1.00 0.00 H new ATOM 0 HB VAL A 84 8.498 -8.626 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.678 -6.559 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.939 -6.279 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.593 -6.367 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.484 -8.743 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.436 -8.652 3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.333 -10.055 2.718 1.00 0.00 H new ATOM 1281 N LYS A 85 6.199 -7.019 4.167 1.00 0.00 N ATOM 1282 CA LYS A 85 6.034 -6.478 5.513 1.00 0.00 C ATOM 1283 C LYS A 85 4.666 -5.824 5.673 1.00 0.00 C ATOM 1284 O LYS A 85 4.055 -5.391 4.695 1.00 0.00 O ATOM 1285 CB LYS A 85 7.135 -5.459 5.819 1.00 0.00 C ATOM 1286 CG LYS A 85 8.498 -5.848 5.273 1.00 0.00 C ATOM 1287 CD LYS A 85 9.613 -5.067 5.949 1.00 0.00 C ATOM 1288 CE LYS A 85 10.971 -5.407 5.356 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.041 -5.423 6.391 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.716 -6.494 3.438 1.00 0.00 H new ATOM 0 HA LYS A 85 6.108 -7.306 6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.849 -4.493 5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.209 -5.331 6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.659 -6.916 5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.526 -5.667 4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.426 -3.998 5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.616 -5.286 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.921 -6.382 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.223 -4.679 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.951 -5.659 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.106 -4.486 6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.814 -6.136 7.114 1.00 0.00 H new ATOM 1303 N ALA A 86 4.191 -5.753 6.912 1.00 0.00 N ATOM 1304 CA ALA A 86 2.896 -5.151 7.201 1.00 0.00 C ATOM 1305 C ALA A 86 2.826 -4.661 8.644 1.00 0.00 C ATOM 1306 O ALA A 86 2.993 -5.439 9.583 1.00 0.00 O ATOM 1307 CB ALA A 86 1.779 -6.145 6.926 1.00 0.00 C ATOM 0 H ALA A 86 4.684 -6.105 7.732 1.00 0.00 H new ATOM 0 HA ALA A 86 2.771 -4.289 6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.817 -5.682 7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.807 -6.443 5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.911 -7.024 7.557 1.00 0.00 H new ATOM 1313 N LYS A 87 2.578 -3.367 8.811 1.00 0.00 N ATOM 1314 CA LYS A 87 2.483 -2.769 10.139 1.00 0.00 C ATOM 1315 C LYS A 87 1.266 -1.855 10.234 1.00 0.00 C ATOM 1316 O LYS A 87 0.717 -1.430 9.218 1.00 0.00 O ATOM 1317 CB LYS A 87 3.755 -1.981 10.458 1.00 0.00 C ATOM 1318 CG LYS A 87 4.987 -2.854 10.625 1.00 0.00 C ATOM 1319 CD LYS A 87 5.713 -3.052 9.304 1.00 0.00 C ATOM 1320 CE LYS A 87 6.906 -3.982 9.457 1.00 0.00 C ATOM 1321 NZ LYS A 87 6.486 -5.391 9.693 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.439 -2.711 8.043 1.00 0.00 H new ATOM 0 HA LYS A 87 2.371 -3.572 10.867 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.936 -1.261 9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.598 -1.410 11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.663 -2.397 11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.695 -3.823 11.030 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.023 -3.462 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.049 -2.087 8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.522 -3.933 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.525 -3.644 10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.787 -5.689 10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.451 -5.462 9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.926 -6.008 8.981 1.00 0.00 H new ATOM 1335 N GLU A 88 0.848 -1.556 11.460 1.00 0.00 N ATOM 1336 CA GLU A 88 -0.306 -0.692 11.682 1.00 0.00 C ATOM 1337 C GLU A 88 0.083 0.549 12.479 1.00 0.00 C ATOM 1338 O GLU A 88 1.098 0.561 13.175 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.409 -1.457 12.417 1.00 0.00 C ATOM 1340 CG GLU A 88 -0.935 -2.132 13.694 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.158 -3.632 13.680 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -1.237 -4.211 12.576 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -1.252 -4.229 14.773 1.00 0.00 O1- ATOM 0 H GLU A 88 1.290 -1.898 12.313 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.678 -0.373 10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.218 -0.768 12.659 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.823 -2.212 11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.126 -1.928 13.836 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.460 -1.699 14.546 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.735 1.591 12.372 1.00 0.00 N ATOM 1351 CA GLN A 89 -0.484 2.840 13.082 1.00 0.00 C ATOM 1352 C GLN A 89 -1.791 3.579 13.352 1.00 0.00 C ATOM 1353 O GLN A 89 -2.803 3.327 12.698 1.00 0.00 O ATOM 1354 CB GLN A 89 0.462 3.730 12.273 1.00 0.00 C ATOM 1355 CG GLN A 89 1.400 4.560 13.134 1.00 0.00 C ATOM 1356 CD GLN A 89 2.489 5.237 12.324 1.00 0.00 C ATOM 1357 OE1 GLN A 89 2.670 6.452 12.400 1.00 0.00 O ATOM 1358 NE2 GLN A 89 3.220 4.451 11.543 1.00 0.00 N ATOM 0 H GLN A 89 -1.579 1.595 11.799 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.016 2.601 14.037 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.054 3.104 11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.128 4.398 11.645 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.824 5.317 13.666 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.858 3.919 13.888 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.035 3.448 11.511 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.967 4.850 10.974 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.764 4.490 14.319 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.950 5.261 14.673 1.00 0.00 C ATOM 1369 C VAL A 90 -2.683 6.760 14.587 1.00 0.00 C ATOM 1370 O VAL A 90 -1.840 7.293 15.309 1.00 0.00 O ATOM 1371 CB VAL A 90 -3.441 4.919 16.092 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.788 5.571 16.362 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.523 3.412 16.279 1.00 0.00 C ATOM 0 H VAL A 90 -0.935 4.712 14.871 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.724 4.993 13.954 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.722 5.313 16.811 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.119 5.318 17.369 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.693 6.653 16.272 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.519 5.210 15.638 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.872 3.189 17.287 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.220 2.993 15.553 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.536 2.973 16.131 1.00 0.00 H new ATOM 1383 N VAL A 91 -3.409 7.433 13.701 1.00 0.00 N ATOM 1384 CA VAL A 91 -3.258 8.871 13.518 1.00 0.00 C ATOM 1385 C VAL A 91 -4.486 9.464 12.837 1.00 0.00 C ATOM 1386 O VAL A 91 -4.608 9.427 11.612 1.00 0.00 O ATOM 1387 CB VAL A 91 -2.008 9.206 12.681 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.748 9.058 13.519 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.941 8.324 11.443 1.00 0.00 C ATOM 0 H VAL A 91 -4.110 7.004 13.097 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.145 9.308 14.510 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.080 10.244 12.355 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.124 9.299 12.911 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.795 9.737 14.370 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.668 8.032 13.878 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.052 8.575 10.865 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.894 7.277 11.744 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.829 8.486 10.832 1.00 0.00 H new ATOM 1399 N SER A 92 -5.397 10.007 13.638 1.00 0.00 N ATOM 1400 CA SER A 92 -6.620 10.603 13.111 1.00 0.00 C ATOM 1401 C SER A 92 -7.464 9.560 12.384 1.00 0.00 C ATOM 1402 O SER A 92 -8.270 9.894 11.516 1.00 0.00 O ATOM 1403 CB SER A 92 -6.284 11.756 12.163 1.00 0.00 C ATOM 1404 OG SER A 92 -5.564 12.776 12.834 1.00 0.00 O ATOM 0 H SER A 92 -5.312 10.047 14.654 1.00 0.00 H new ATOM 0 HA SER A 92 -7.197 10.990 13.951 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.695 11.382 11.325 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.203 12.169 11.748 1.00 0.00 H new ATOM 0 HG SER A 92 -5.360 13.500 12.206 1.00 0.00 H new ATOM 1410 N GLY A 93 -7.273 8.295 12.744 1.00 0.00 N ATOM 1411 CA GLY A 93 -8.020 7.222 12.117 1.00 0.00 C ATOM 1412 C GLY A 93 -7.296 5.894 12.202 1.00 0.00 C ATOM 1413 O GLY A 93 -7.072 5.370 13.294 1.00 0.00 O ATOM 0 H GLY A 93 -6.612 7.994 13.461 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.995 7.133 12.595 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.199 7.470 11.071 1.00 0.00 H new ATOM 1417 N MET A 94 -6.926 5.348 11.049 1.00 0.00 N ATOM 1418 CA MET A 94 -6.219 4.074 11.001 1.00 0.00 C ATOM 1419 C MET A 94 -5.226 4.046 9.843 1.00 0.00 C ATOM 1420 O MET A 94 -5.616 4.087 8.676 1.00 0.00 O ATOM 1421 CB MET A 94 -7.214 2.920 10.862 1.00 0.00 C ATOM 1422 CG MET A 94 -8.073 2.706 12.097 1.00 0.00 C ATOM 1423 SD MET A 94 -7.188 1.861 13.421 1.00 0.00 S ATOM 1424 CE MET A 94 -7.340 3.056 14.747 1.00 0.00 C ATOM 0 H MET A 94 -7.104 5.767 10.136 1.00 0.00 H new ATOM 0 HA MET A 94 -5.666 3.958 11.933 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.863 3.111 10.007 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.666 2.003 10.647 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.427 3.671 12.460 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.954 2.125 11.826 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.492 2.534 15.692 1.00 0.00 H new ATOM 0 HE2 MET A 94 -6.430 3.653 14.805 1.00 0.00 H new ATOM 0 HE3 MET A 94 -8.191 3.709 14.553 1.00 0.00 H new ATOM 1434 N MET A 95 -3.940 3.973 10.174 1.00 0.00 N ATOM 1435 CA MET A 95 -2.890 3.936 9.162 1.00 0.00 C ATOM 1436 C MET A 95 -2.250 2.553 9.098 1.00 0.00 C ATOM 1437 O MET A 95 -2.174 1.847 10.103 1.00 0.00 O ATOM 1438 CB MET A 95 -1.826 4.996 9.460 1.00 0.00 C ATOM 1439 CG MET A 95 -1.423 5.811 8.242 1.00 0.00 C ATOM 1440 SD MET A 95 -0.387 7.225 8.663 1.00 0.00 S ATOM 1441 CE MET A 95 -1.450 8.583 8.177 1.00 0.00 C ATOM 0 H MET A 95 -3.600 3.938 11.135 1.00 0.00 H new ATOM 0 HA MET A 95 -3.342 4.152 8.194 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.202 5.670 10.230 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.942 4.507 9.869 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.888 5.170 7.542 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.320 6.162 7.732 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.873 9.508 8.157 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.858 8.388 7.185 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.266 8.680 8.893 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.794 2.170 7.909 1.00 0.00 N ATOM 1452 CA HIS A 96 -1.165 0.869 7.717 1.00 0.00 C ATOM 1453 C HIS A 96 0.137 1.000 6.933 1.00 0.00 C ATOM 1454 O HIS A 96 0.135 1.396 5.767 1.00 0.00 O ATOM 1455 CB HIS A 96 -2.119 -0.078 6.987 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.893 -1.522 7.309 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -1.733 -1.991 8.596 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -1.800 -2.606 6.502 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -1.552 -3.299 8.567 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -1.588 -3.697 7.309 1.00 0.00 N ATOM 0 H HIS A 96 -1.848 2.741 7.066 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.934 0.458 8.700 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.145 0.186 7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.010 0.067 5.912 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.878 -2.611 5.425 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.400 -3.935 9.427 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.476 -4.659 6.988 1.00 0.00 H new ATOM 1469 N TYR A 97 1.247 0.661 7.580 1.00 0.00 N ATOM 1470 CA TYR A 97 2.558 0.734 6.946 1.00 0.00 C ATOM 1471 C TYR A 97 2.997 -0.645 6.466 1.00 0.00 C ATOM 1472 O TYR A 97 3.569 -1.424 7.228 1.00 0.00 O ATOM 1473 CB TYR A 97 3.590 1.302 7.923 1.00 0.00 C ATOM 1474 CG TYR A 97 3.408 2.775 8.212 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.200 3.267 8.694 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.446 3.675 8.005 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.032 4.612 8.959 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.285 5.022 8.268 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.077 5.486 8.744 1.00 0.00 C ATOM 1480 OH TYR A 97 2.914 6.826 9.007 1.00 0.00 O ATOM 0 H TYR A 97 1.265 0.332 8.545 1.00 0.00 H new ATOM 0 HA TYR A 97 2.486 1.397 6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.534 0.748 8.860 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.589 1.141 7.517 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.379 2.586 8.864 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.394 3.316 7.633 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.087 4.978 9.333 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.102 5.708 8.101 1.00 0.00 H new ATOM 0 HH TYR A 97 3.791 7.241 9.146 1.00 0.00 H new ATOM 1490 N LEU A 98 2.720 -0.943 5.201 1.00 0.00 N ATOM 1491 CA LEU A 98 3.080 -2.234 4.624 1.00 0.00 C ATOM 1492 C LEU A 98 4.120 -2.077 3.520 1.00 0.00 C ATOM 1493 O LEU A 98 4.068 -1.132 2.733 1.00 0.00 O ATOM 1494 CB LEU A 98 1.837 -2.931 4.070 1.00 0.00 C ATOM 1495 CG LEU A 98 1.203 -2.251 2.853 1.00 0.00 C ATOM 1496 CD1 LEU A 98 0.911 -3.268 1.761 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -0.067 -1.516 3.253 1.00 0.00 C ATOM 0 H LEU A 98 2.248 -0.309 4.556 1.00 0.00 H new ATOM 0 HA LEU A 98 3.513 -2.844 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.102 -3.953 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.091 -2.994 4.862 1.00 0.00 H new ATOM 0 HG LEU A 98 1.912 -1.523 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.461 -2.764 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.840 -3.747 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.222 -4.023 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.503 -1.039 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.781 -2.225 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.171 -0.757 3.998 1.00 0.00 H new ATOM 1509 N THR A 99 5.059 -3.015 3.464 1.00 0.00 N ATOM 1510 CA THR A 99 6.108 -2.989 2.452 1.00 0.00 C ATOM 1511 C THR A 99 5.944 -4.154 1.483 1.00 0.00 C ATOM 1512 O THR A 99 5.669 -5.280 1.896 1.00 0.00 O ATOM 1513 CB THR A 99 7.485 -3.050 3.113 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.470 -2.391 4.366 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.579 -2.422 2.276 1.00 0.00 C ATOM 0 H THR A 99 5.115 -3.804 4.108 1.00 0.00 H new ATOM 0 HA THR A 99 6.024 -2.056 1.895 1.00 0.00 H new ATOM 0 HB THR A 99 7.703 -4.112 3.229 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.360 -2.443 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.530 -2.499 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.650 -2.942 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.346 -1.372 2.101 1.00 0.00 H new ATOM 1523 N VAL A 100 6.108 -3.880 0.193 1.00 0.00 N ATOM 1524 CA VAL A 100 5.971 -4.914 -0.824 1.00 0.00 C ATOM 1525 C VAL A 100 7.075 -4.812 -1.874 1.00 0.00 C ATOM 1526 O VAL A 100 7.707 -3.766 -2.027 1.00 0.00 O ATOM 1527 CB VAL A 100 4.590 -4.843 -1.517 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.484 -4.664 -0.488 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.548 -3.721 -2.548 1.00 0.00 C ATOM 0 H VAL A 100 6.335 -2.955 -0.171 1.00 0.00 H new ATOM 0 HA VAL A 100 6.059 -5.873 -0.314 1.00 0.00 H new ATOM 0 HB VAL A 100 4.429 -5.786 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.520 -4.616 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.490 -5.507 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.649 -3.740 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.565 -3.696 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.739 -2.767 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.310 -3.896 -3.308 1.00 0.00 H new ATOM 1539 N GLU A 101 7.296 -5.905 -2.597 1.00 0.00 N ATOM 1540 CA GLU A 101 8.317 -5.939 -3.637 1.00 0.00 C ATOM 1541 C GLU A 101 7.732 -5.496 -4.972 1.00 0.00 C ATOM 1542 O GLU A 101 6.686 -5.988 -5.396 1.00 0.00 O ATOM 1543 CB GLU A 101 8.903 -7.347 -3.762 1.00 0.00 C ATOM 1544 CG GLU A 101 10.130 -7.575 -2.895 1.00 0.00 C ATOM 1545 CD GLU A 101 10.763 -8.933 -3.126 1.00 0.00 C ATOM 1546 OE1 GLU A 101 10.258 -9.927 -2.563 1.00 0.00 O ATOM 1547 OE2 GLU A 101 11.763 -9.002 -3.871 1.00 0.00 O1- ATOM 0 H GLU A 101 6.782 -6.778 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 101 9.114 -5.250 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.138 -8.075 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.165 -7.531 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.865 -6.796 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.851 -7.482 -1.845 1.00 0.00 H new ATOM 1554 N VAL A 102 8.406 -4.559 -5.629 1.00 0.00 N ATOM 1555 CA VAL A 102 7.943 -4.047 -6.912 1.00 0.00 C ATOM 1556 C VAL A 102 8.948 -4.331 -8.023 1.00 0.00 C ATOM 1557 O VAL A 102 10.156 -4.380 -7.787 1.00 0.00 O ATOM 1558 CB VAL A 102 7.682 -2.531 -6.848 1.00 0.00 C ATOM 1559 CG1 VAL A 102 7.009 -2.049 -8.123 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.840 -2.185 -5.628 1.00 0.00 C ATOM 0 H VAL A 102 9.273 -4.139 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 102 7.010 -4.564 -7.136 1.00 0.00 H new ATOM 0 HB VAL A 102 8.641 -2.020 -6.757 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.833 -0.975 -8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.653 -2.260 -8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.058 -2.566 -8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.666 -1.109 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.884 -2.706 -5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.366 -2.491 -4.724 1.00 0.00 H new ATOM 1570 N ASN A 103 8.436 -4.513 -9.236 1.00 0.00 N ATOM 1571 CA ASN A 103 9.280 -4.787 -10.392 1.00 0.00 C ATOM 1572 C ASN A 103 9.021 -3.771 -11.500 1.00 0.00 C ATOM 1573 O ASN A 103 7.898 -3.294 -11.667 1.00 0.00 O ATOM 1574 CB ASN A 103 9.026 -6.204 -10.912 1.00 0.00 C ATOM 1575 CG ASN A 103 9.935 -6.567 -12.070 1.00 0.00 C ATOM 1576 OD1 ASN A 103 9.645 -6.251 -13.224 1.00 0.00 O ATOM 1577 ND2 ASN A 103 11.041 -7.235 -11.767 1.00 0.00 N ATOM 0 H ASN A 103 7.438 -4.475 -9.443 1.00 0.00 H new ATOM 0 HA ASN A 103 10.322 -4.705 -10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.173 -6.917 -10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.987 -6.291 -11.229 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.691 -7.507 -12.505 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.241 -7.476 -10.796 1.00 0.00 H new ATOM 1584 N ASP A 104 10.066 -3.441 -12.253 1.00 0.00 N ATOM 1585 CA ASP A 104 9.948 -2.478 -13.342 1.00 0.00 C ATOM 1586 C ASP A 104 10.604 -3.002 -14.615 1.00 0.00 C ATOM 1587 O ASP A 104 11.773 -2.725 -14.883 1.00 0.00 O ATOM 1588 CB ASP A 104 10.582 -1.144 -12.941 1.00 0.00 C ATOM 1589 CG ASP A 104 9.816 0.046 -13.483 1.00 0.00 C ATOM 1590 OD1 ASP A 104 9.113 -0.114 -14.503 1.00 0.00 O ATOM 1591 OD2 ASP A 104 9.919 1.140 -12.888 1.00 0.00 O1- ATOM 0 H ASP A 104 11.002 -3.826 -12.129 1.00 0.00 H new ATOM 0 HA ASP A 104 8.887 -2.326 -13.541 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.628 -1.079 -11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.609 -1.109 -13.306 1.00 0.00 H new ATOM 1596 N ALA A 105 9.842 -3.759 -15.399 1.00 0.00 N ATOM 1597 CA ALA A 105 10.344 -4.321 -16.649 1.00 0.00 C ATOM 1598 C ALA A 105 11.649 -5.080 -16.434 1.00 0.00 C ATOM 1599 O ALA A 105 12.499 -5.137 -17.323 1.00 0.00 O ATOM 1600 CB ALA A 105 10.538 -3.219 -17.680 1.00 0.00 C ATOM 0 H ALA A 105 8.873 -3.998 -15.190 1.00 0.00 H new ATOM 0 HA ALA A 105 9.603 -5.030 -17.020 1.00 0.00 H new ATOM 0 HB1 ALA A 105 10.913 -3.651 -18.608 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.585 -2.725 -17.869 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.256 -2.490 -17.303 1.00 0.00 H new ATOM 1606 N GLY A 106 11.802 -5.663 -15.250 1.00 0.00 N ATOM 1607 CA GLY A 106 13.007 -6.411 -14.942 1.00 0.00 C ATOM 1608 C GLY A 106 13.652 -5.966 -13.645 1.00 0.00 C ATOM 1609 O GLY A 106 14.150 -6.789 -12.877 1.00 0.00 O ATOM 0 H GLY A 106 11.113 -5.631 -14.498 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.766 -7.472 -14.878 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.721 -6.295 -15.757 1.00 0.00 H new ATOM 1613 N LYS A 107 13.642 -4.660 -13.398 1.00 0.00 N ATOM 1614 CA LYS A 107 14.231 -4.109 -12.183 1.00 0.00 C ATOM 1615 C LYS A 107 13.417 -4.513 -10.958 1.00 0.00 C ATOM 1616 O LYS A 107 12.299 -4.039 -10.762 1.00 0.00 O ATOM 1617 CB LYS A 107 14.314 -2.585 -12.276 1.00 0.00 C ATOM 1618 CG LYS A 107 15.598 -2.083 -12.915 1.00 0.00 C ATOM 1619 CD LYS A 107 16.026 -0.747 -12.332 1.00 0.00 C ATOM 1620 CE LYS A 107 15.486 0.416 -13.148 1.00 0.00 C ATOM 1621 NZ LYS A 107 16.492 0.929 -14.118 1.00 0.00 N1+ ATOM 0 H LYS A 107 13.233 -3.965 -14.022 1.00 0.00 H new ATOM 0 HA LYS A 107 15.238 -4.513 -12.079 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.464 -2.218 -12.851 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.227 -2.163 -11.275 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.390 -2.816 -12.766 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.455 -1.982 -13.991 1.00 0.00 H new ATOM 0 HD2 LYS A 107 15.672 -0.667 -11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.114 -0.695 -12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.593 0.098 -13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 107 15.185 1.221 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 16.084 1.721 -14.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 17.335 1.256 -13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 16.761 0.168 -14.774 1.00 0.00 H new ATOM 1635 N LYS A 108 13.985 -5.392 -10.140 1.00 0.00 N ATOM 1636 CA LYS A 108 13.310 -5.862 -8.935 1.00 0.00 C ATOM 1637 C LYS A 108 13.825 -5.131 -7.700 1.00 0.00 C ATOM 1638 O LYS A 108 15.032 -4.962 -7.526 1.00 0.00 O ATOM 1639 CB LYS A 108 13.512 -7.369 -8.770 1.00 0.00 C ATOM 1640 CG LYS A 108 12.775 -7.954 -7.577 1.00 0.00 C ATOM 1641 CD LYS A 108 11.437 -8.549 -7.986 1.00 0.00 C ATOM 1642 CE LYS A 108 10.348 -8.218 -6.979 1.00 0.00 C ATOM 1643 NZ LYS A 108 9.444 -7.141 -7.471 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.911 -5.794 -10.289 1.00 0.00 H new ATOM 0 HA LYS A 108 12.246 -5.652 -9.040 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.177 -7.873 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.577 -7.575 -8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.389 -8.724 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.616 -7.177 -6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.154 -8.169 -8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.532 -9.631 -8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.764 -9.114 -6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.805 -7.907 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.848 -6.804 -6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.013 -6.352 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.839 -7.515 -8.230 1.00 0.00 H new ATOM 1657 N LYS A 109 12.903 -4.701 -6.845 1.00 0.00 N ATOM 1658 CA LYS A 109 13.268 -3.989 -5.626 1.00 0.00 C ATOM 1659 C LYS A 109 12.141 -4.045 -4.599 1.00 0.00 C ATOM 1660 O LYS A 109 11.041 -4.514 -4.893 1.00 0.00 O ATOM 1661 CB LYS A 109 13.611 -2.532 -5.944 1.00 0.00 C ATOM 1662 CG LYS A 109 15.088 -2.301 -6.220 1.00 0.00 C ATOM 1663 CD LYS A 109 15.344 -2.004 -7.689 1.00 0.00 C ATOM 1664 CE LYS A 109 16.420 -0.944 -7.864 1.00 0.00 C ATOM 1665 NZ LYS A 109 16.094 0.305 -7.122 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.900 -4.833 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 109 14.144 -4.478 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.034 -2.213 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.304 -1.904 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.446 -1.470 -5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.656 -3.182 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.647 -2.919 -8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.420 -1.667 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 109 17.375 -1.335 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.537 -0.717 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 16.491 1.123 -7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 15.061 0.408 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.502 0.257 -6.166 1.00 0.00 H new ATOM 1679 N LEU A 110 12.424 -3.561 -3.394 1.00 0.00 N ATOM 1680 CA LEU A 110 11.439 -3.551 -2.319 1.00 0.00 C ATOM 1681 C LEU A 110 11.087 -2.119 -1.926 1.00 0.00 C ATOM 1682 O LEU A 110 11.954 -1.347 -1.518 1.00 0.00 O ATOM 1683 CB LEU A 110 11.974 -4.318 -1.105 1.00 0.00 C ATOM 1684 CG LEU A 110 11.197 -4.111 0.199 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.708 -4.319 -0.024 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.713 -5.050 1.280 1.00 0.00 C ATOM 0 H LEU A 110 13.330 -3.170 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 110 10.534 -4.042 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.976 -5.382 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.011 -4.026 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 110 11.351 -3.084 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.175 -4.167 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.348 -3.606 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.532 -5.334 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.150 -4.890 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.590 -6.083 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.769 -4.851 1.461 1.00 0.00 H new ATOM 1698 N TYR A 111 9.810 -1.771 -2.051 1.00 0.00 N ATOM 1699 CA TYR A 111 9.349 -0.431 -1.707 1.00 0.00 C ATOM 1700 C TYR A 111 8.301 -0.480 -0.600 1.00 0.00 C ATOM 1701 O TYR A 111 7.477 -1.395 -0.550 1.00 0.00 O ATOM 1702 CB TYR A 111 8.772 0.267 -2.941 1.00 0.00 C ATOM 1703 CG TYR A 111 9.664 0.195 -4.164 1.00 0.00 C ATOM 1704 CD1 TYR A 111 11.050 0.170 -4.044 1.00 0.00 C ATOM 1705 CD2 TYR A 111 9.117 0.157 -5.440 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.862 0.109 -5.160 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.923 0.095 -6.561 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.294 0.071 -6.417 1.00 0.00 C ATOM 1709 OH TYR A 111 12.098 0.011 -7.534 1.00 0.00 O ATOM 0 H TYR A 111 9.078 -2.397 -2.387 1.00 0.00 H new ATOM 0 HA TYR A 111 10.206 0.136 -1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.807 -0.180 -3.181 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.587 1.314 -2.700 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.499 0.199 -3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.044 0.176 -5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.936 0.091 -5.049 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.481 0.065 -7.546 1.00 0.00 H new ATOM 0 HH TYR A 111 11.539 -0.011 -8.339 1.00 0.00 H new ATOM 1719 N GLU A 112 8.338 0.511 0.285 1.00 0.00 N ATOM 1720 CA GLU A 112 7.393 0.585 1.393 1.00 0.00 C ATOM 1721 C GLU A 112 6.210 1.482 1.041 1.00 0.00 C ATOM 1722 O GLU A 112 6.372 2.510 0.383 1.00 0.00 O ATOM 1723 CB GLU A 112 8.089 1.110 2.650 1.00 0.00 C ATOM 1724 CG GLU A 112 7.533 0.530 3.941 1.00 0.00 C ATOM 1725 CD GLU A 112 6.700 1.530 4.718 1.00 0.00 C ATOM 1726 OE1 GLU A 112 5.504 1.685 4.394 1.00 0.00 O ATOM 1727 OE2 GLU A 112 7.244 2.158 5.651 1.00 0.00 O1- ATOM 0 H GLU A 112 9.013 1.275 0.256 1.00 0.00 H new ATOM 0 HA GLU A 112 7.019 -0.420 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.153 0.882 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.997 2.196 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.923 -0.343 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.358 0.187 4.566 1.00 0.00 H new ATOM 1734 N ALA A 113 5.022 1.086 1.485 1.00 0.00 N ATOM 1735 CA ALA A 113 3.810 1.852 1.218 1.00 0.00 C ATOM 1736 C ALA A 113 2.967 2.003 2.479 1.00 0.00 C ATOM 1737 O ALA A 113 2.715 1.028 3.188 1.00 0.00 O ATOM 1738 CB ALA A 113 2.998 1.186 0.117 1.00 0.00 C ATOM 0 H ALA A 113 4.872 0.238 2.032 1.00 0.00 H new ATOM 0 HA ALA A 113 4.105 2.848 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.096 1.768 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.594 1.134 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.721 0.179 0.428 1.00 0.00 H new ATOM 1744 N LYS A 114 2.530 3.228 2.754 1.00 0.00 N ATOM 1745 CA LYS A 114 1.710 3.495 3.932 1.00 0.00 C ATOM 1746 C LYS A 114 0.375 4.119 3.538 1.00 0.00 C ATOM 1747 O LYS A 114 0.332 5.200 2.951 1.00 0.00 O ATOM 1748 CB LYS A 114 2.449 4.410 4.912 1.00 0.00 C ATOM 1749 CG LYS A 114 3.027 5.656 4.267 1.00 0.00 C ATOM 1750 CD LYS A 114 4.282 6.124 4.986 1.00 0.00 C ATOM 1751 CE LYS A 114 5.463 5.211 4.697 1.00 0.00 C ATOM 1752 NZ LYS A 114 5.971 5.382 3.308 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.728 4.048 2.181 1.00 0.00 H new ATOM 0 HA LYS A 114 1.514 2.542 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.763 4.707 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.256 3.848 5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.260 5.451 3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.282 6.452 4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.522 7.141 4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.098 6.153 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.265 5.420 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.165 4.174 4.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.552 4.560 3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.168 5.461 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.549 6.245 3.253 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.712 3.427 3.864 1.00 0.00 N ATOM 1767 CA VAL A 115 -2.052 3.907 3.547 1.00 0.00 C ATOM 1768 C VAL A 115 -2.774 4.387 4.801 1.00 0.00 C ATOM 1769 O VAL A 115 -2.527 3.890 5.899 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.896 2.812 2.870 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -4.212 3.385 2.368 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -2.119 2.165 1.733 1.00 0.00 C ATOM 0 H VAL A 115 -0.691 2.530 4.349 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.934 4.742 2.856 1.00 0.00 H new ATOM 0 HB VAL A 115 -3.120 2.043 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.795 2.596 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.774 3.795 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.012 4.175 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.732 1.394 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.861 2.921 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.207 1.716 2.125 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.665 5.358 4.631 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.421 5.906 5.751 1.00 0.00 C ATOM 1784 C TRP A 116 -5.921 5.783 5.508 1.00 0.00 C ATOM 1785 O TRP A 116 -6.395 5.969 4.387 1.00 0.00 O ATOM 1786 CB TRP A 116 -4.045 7.371 5.973 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.715 7.990 7.162 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.738 7.504 8.437 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.459 9.213 7.184 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.451 8.351 9.251 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.904 9.408 8.505 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.792 10.163 6.214 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.663 10.514 8.879 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.546 11.260 6.587 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.974 11.428 7.910 1.00 0.00 C ATOM 0 H TRP A 116 -3.881 5.782 3.729 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.170 5.333 6.644 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.965 7.445 6.096 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.304 7.943 5.082 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -4.265 6.588 8.759 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.616 8.215 10.248 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.466 10.042 5.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.994 10.646 9.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.809 12.000 5.846 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.561 12.296 8.170 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.662 5.467 6.566 1.00 0.00 N ATOM 1807 CA GLU A 117 -8.109 5.317 6.469 1.00 0.00 C ATOM 1808 C GLU A 117 -8.779 5.624 7.806 1.00 0.00 C ATOM 1809 O GLU A 117 -8.414 5.062 8.838 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.466 3.897 6.021 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.962 3.642 5.934 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.308 2.537 4.955 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.540 2.335 3.991 1.00 0.00 O1- ATOM 1814 OE2 GLU A 117 -11.348 1.874 5.152 1.00 0.00 O ATOM 0 H GLU A 117 -6.284 5.310 7.500 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.474 6.028 5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.017 3.710 5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.025 3.184 6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.340 3.379 6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.467 4.560 5.633 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.759 6.522 7.778 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.480 6.906 8.983 1.00 0.00 C ATOM 1823 C GLN A 118 -11.869 6.277 9.008 1.00 0.00 C ATOM 1824 O GLN A 118 -12.274 5.604 8.060 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.595 8.427 9.060 1.00 0.00 C ATOM 1826 CG GLN A 118 -9.328 9.157 8.642 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.498 9.926 7.347 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -9.307 9.382 6.259 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -9.858 11.198 7.459 1.00 0.00 N ATOM 0 H GLN A 118 -10.071 6.997 6.931 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.923 6.543 9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.418 8.753 8.424 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.848 8.712 10.081 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.032 9.846 9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.518 8.436 8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -10.005 11.607 8.382 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.987 11.767 6.622 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.595 6.501 10.098 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.940 5.955 10.246 1.00 0.00 C ATOM 1840 C VAL A 119 -14.975 7.068 10.390 1.00 0.00 C ATOM 1841 O VAL A 119 -16.095 6.956 9.892 1.00 0.00 O ATOM 1842 CB VAL A 119 -14.033 5.016 11.465 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.725 5.770 12.750 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -15.406 4.363 11.536 1.00 0.00 C ATOM 0 H VAL A 119 -12.275 7.056 10.892 1.00 0.00 H new ATOM 0 HA VAL A 119 -14.152 5.385 9.342 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.288 4.229 11.348 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.796 5.089 13.598 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.717 6.180 12.698 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -14.441 6.582 12.876 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.451 3.704 12.403 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -16.171 5.134 11.626 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.580 3.783 10.630 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.593 8.141 11.075 1.00 0.00 N ATOM 1855 CA TRP A 120 -15.488 9.274 11.287 1.00 0.00 C ATOM 1856 C TRP A 120 -15.434 10.247 10.111 1.00 0.00 C ATOM 1857 O TRP A 120 -16.360 11.031 9.902 1.00 0.00 O ATOM 1858 CB TRP A 120 -15.122 10.003 12.579 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.710 10.501 12.597 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -13.245 11.666 12.057 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -12.578 9.847 13.178 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -11.893 11.778 12.272 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -11.460 10.673 12.957 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -12.400 8.643 13.866 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -10.185 10.334 13.400 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -11.133 8.307 14.304 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -10.040 9.150 14.070 1.00 0.00 C ATOM 0 H TRP A 120 -13.669 8.250 11.493 1.00 0.00 H new ATOM 0 HA TRP A 120 -16.504 8.888 11.367 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.799 10.846 12.717 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -15.274 9.330 13.423 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -13.851 12.393 11.537 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -11.307 12.557 11.971 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -13.238 7.987 14.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.340 10.982 13.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.984 7.379 14.836 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -9.062 8.860 14.426 1.00 0.00 H new ATOM 1878 N MET A 121 -14.348 10.192 9.347 1.00 0.00 N ATOM 1879 CA MET A 121 -14.180 11.068 8.195 1.00 0.00 C ATOM 1880 C MET A 121 -14.579 10.352 6.908 1.00 0.00 C ATOM 1881 O MET A 121 -14.940 10.988 5.918 1.00 0.00 O ATOM 1882 CB MET A 121 -12.730 11.549 8.100 1.00 0.00 C ATOM 1883 CG MET A 121 -12.477 12.492 6.934 1.00 0.00 C ATOM 1884 SD MET A 121 -11.566 13.972 7.419 1.00 0.00 S ATOM 1885 CE MET A 121 -10.477 14.175 6.011 1.00 0.00 C ATOM 0 H MET A 121 -13.572 9.550 9.505 1.00 0.00 H new ATOM 0 HA MET A 121 -14.832 11.932 8.326 1.00 0.00 H new ATOM 0 HB2 MET A 121 -12.461 12.053 9.029 1.00 0.00 H new ATOM 0 HB3 MET A 121 -12.074 10.683 8.005 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.919 11.965 6.160 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.431 12.785 6.496 1.00 0.00 H new ATOM 0 HE1 MET A 121 -9.485 13.800 6.262 1.00 0.00 H new ATOM 0 HE2 MET A 121 -10.872 13.617 5.162 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.411 15.232 5.751 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.514 9.024 6.934 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.870 8.216 5.775 1.00 0.00 C ATOM 1897 C ASN A 122 -13.945 8.509 4.597 1.00 0.00 C ATOM 1898 O ASN A 122 -14.402 8.752 3.480 1.00 0.00 O ATOM 1899 CB ASN A 122 -16.326 8.471 5.376 1.00 0.00 C ATOM 1900 CG ASN A 122 -17.294 7.570 6.118 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -17.198 7.563 7.443 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -18.119 6.890 5.508 1.00 0.00 N flip ATOM 0 H ASN A 122 -14.217 8.485 7.747 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.754 7.167 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.578 9.513 5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.439 8.316 4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -18.157 6.927 4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.765 6.290 6.021 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.642 8.480 4.854 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.653 8.739 3.814 1.00 0.00 C ATOM 1911 C PHE A 123 -10.516 7.725 3.885 1.00 0.00 C ATOM 1912 O PHE A 123 -10.040 7.386 4.969 1.00 0.00 O ATOM 1913 CB PHE A 123 -11.100 10.160 3.949 1.00 0.00 C ATOM 1914 CG PHE A 123 -11.133 10.941 2.667 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -10.550 10.435 1.516 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -11.747 12.182 2.612 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -10.579 11.152 0.335 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -11.779 12.904 1.434 1.00 0.00 C ATOM 1919 CZ PHE A 123 -11.195 12.388 0.294 1.00 0.00 C ATOM 0 H PHE A 123 -12.246 8.280 5.773 1.00 0.00 H new ATOM 0 HA PHE A 123 -12.143 8.641 2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.675 10.694 4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -10.072 10.109 4.307 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -10.067 9.469 1.542 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.206 12.590 3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -10.121 10.747 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -12.260 13.870 1.405 1.00 0.00 H new ATOM 0 HZ PHE A 123 -11.220 12.950 -0.628 1.00 0.00 H new ATOM 1929 N ARG A 124 -10.086 7.244 2.723 1.00 0.00 N ATOM 1930 CA ARG A 124 -9.005 6.267 2.652 1.00 0.00 C ATOM 1931 C ARG A 124 -8.171 6.469 1.392 1.00 0.00 C ATOM 1932 O ARG A 124 -8.700 6.477 0.281 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.572 4.846 2.681 1.00 0.00 C ATOM 1934 CG ARG A 124 -10.674 4.610 1.662 1.00 0.00 C ATOM 1935 CD ARG A 124 -12.035 5.007 2.212 1.00 0.00 C ATOM 1936 NE ARG A 124 -12.915 5.530 1.170 1.00 0.00 N ATOM 1937 CZ ARG A 124 -14.223 5.718 1.329 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -14.806 5.425 2.485 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -14.950 6.199 0.331 1.00 0.00 N ATOM 0 H ARG A 124 -10.470 7.515 1.817 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.360 6.411 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.764 4.137 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.960 4.639 3.678 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -10.464 5.182 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -10.688 3.558 1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -12.503 4.141 2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -11.906 5.760 2.989 1.00 0.00 H new ATOM 0 HE ARG A 124 -12.503 5.765 0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -14.251 5.054 3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -15.809 5.571 2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -14.507 6.425 -0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -15.952 6.343 0.453 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.864 6.632 1.571 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.960 6.833 0.444 1.00 0.00 C ATOM 1955 C GLN A 125 -4.512 6.571 0.847 1.00 0.00 C ATOM 1956 O GLN A 125 -4.210 6.373 2.024 1.00 0.00 O ATOM 1957 CB GLN A 125 -6.100 8.256 -0.100 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.673 9.330 0.887 1.00 0.00 C ATOM 1959 CD GLN A 125 -6.717 9.588 1.956 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -7.865 9.160 1.835 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -6.322 10.291 3.011 1.00 0.00 N ATOM 0 H GLN A 125 -6.408 6.629 2.483 1.00 0.00 H new ATOM 0 HA GLN A 125 -6.232 6.122 -0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.503 8.350 -1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.139 8.427 -0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.738 9.031 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.474 10.256 0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.360 10.626 3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.980 10.496 3.763 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.620 6.575 -0.139 1.00 0.00 N ATOM 1971 CA LEU A 126 -2.202 6.342 0.111 1.00 0.00 C ATOM 1972 C LEU A 126 -1.545 7.587 0.697 1.00 0.00 C ATOM 1973 O LEU A 126 -1.838 8.709 0.283 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.494 5.936 -1.185 1.00 0.00 C ATOM 1975 CG LEU A 126 0.030 5.810 -1.082 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.504 4.503 -1.699 1.00 0.00 C ATOM 1977 CD2 LEU A 126 0.709 6.996 -1.752 1.00 0.00 C ATOM 0 H LEU A 126 -3.854 6.737 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.112 5.531 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.900 4.981 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.731 6.670 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 126 0.303 5.807 -0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.589 4.433 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.045 3.665 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.218 4.472 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.791 6.890 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.427 7.030 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.396 7.918 -1.263 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.658 7.382 1.665 1.00 0.00 N ATOM 1990 CA GLN A 127 0.036 8.490 2.309 1.00 0.00 C ATOM 1991 C GLN A 127 1.405 8.723 1.678 1.00 0.00 C ATOM 1992 O GLN A 127 1.666 9.788 1.119 1.00 0.00 O ATOM 1993 CB GLN A 127 0.188 8.220 3.809 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.837 8.947 4.667 1.00 0.00 C ATOM 1995 CD GLN A 127 -2.243 8.861 4.103 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -3.004 9.828 4.152 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.596 7.700 3.563 1.00 0.00 N ATOM 0 H GLN A 127 -0.403 6.460 2.020 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.562 9.390 2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.103 7.148 3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.189 8.517 4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.827 8.525 5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.550 9.995 4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.934 6.924 3.543 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.529 7.584 3.168 1.00 0.00 H new ATOM 2006 N GLU A 128 2.278 7.725 1.772 1.00 0.00 N ATOM 2007 CA GLU A 128 3.619 7.836 1.210 1.00 0.00 C ATOM 2008 C GLU A 128 4.107 6.498 0.664 1.00 0.00 C ATOM 2009 O GLU A 128 3.637 5.433 1.073 1.00 0.00 O ATOM 2010 CB GLU A 128 4.605 8.352 2.262 1.00 0.00 C ATOM 2011 CG GLU A 128 3.994 9.325 3.260 1.00 0.00 C ATOM 2012 CD GLU A 128 3.741 10.694 2.660 1.00 0.00 C ATOM 2013 OE1 GLU A 128 4.379 11.021 1.637 1.00 0.00 O1- ATOM 2014 OE2 GLU A 128 2.905 11.439 3.213 1.00 0.00 O ATOM 0 H GLU A 128 2.082 6.835 2.230 1.00 0.00 H new ATOM 0 HA GLU A 128 3.568 8.547 0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.018 7.502 2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.437 8.842 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.054 8.916 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.659 9.426 4.118 1.00 0.00 H new ATOM 2021 N PHE A 129 5.061 6.568 -0.259 1.00 0.00 N ATOM 2022 CA PHE A 129 5.636 5.376 -0.869 1.00 0.00 C ATOM 2023 C PHE A 129 7.149 5.527 -0.994 1.00 0.00 C ATOM 2024 O PHE A 129 7.639 6.297 -1.819 1.00 0.00 O ATOM 2025 CB PHE A 129 5.019 5.132 -2.247 1.00 0.00 C ATOM 2026 CG PHE A 129 5.004 3.685 -2.652 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.090 3.124 -3.306 1.00 0.00 C ATOM 2028 CD2 PHE A 129 3.905 2.887 -2.381 1.00 0.00 C ATOM 2029 CE1 PHE A 129 6.079 1.794 -3.681 1.00 0.00 C ATOM 2030 CE2 PHE A 129 3.888 1.556 -2.754 1.00 0.00 C ATOM 2031 CZ PHE A 129 4.977 1.009 -3.405 1.00 0.00 C ATOM 0 H PHE A 129 5.454 7.445 -0.602 1.00 0.00 H new ATOM 0 HA PHE A 129 5.417 4.520 -0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.997 5.512 -2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.575 5.703 -2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 129 6.954 3.733 -3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.051 3.310 -1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.932 1.369 -4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.025 0.945 -2.537 1.00 0.00 H new ATOM 0 HZ PHE A 129 4.966 -0.031 -3.697 1.00 0.00 H new ATOM 2041 N THR A 130 7.884 4.794 -0.164 1.00 0.00 N ATOM 2042 CA THR A 130 9.341 4.857 -0.179 1.00 0.00 C ATOM 2043 C THR A 130 9.930 3.694 -0.969 1.00 0.00 C ATOM 2044 O THR A 130 9.336 2.620 -1.048 1.00 0.00 O ATOM 2045 CB THR A 130 9.887 4.847 1.250 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.819 3.545 1.803 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.144 5.781 2.182 1.00 0.00 C ATOM 0 H THR A 130 7.496 4.151 0.526 1.00 0.00 H new ATOM 0 HA THR A 130 9.634 5.787 -0.667 1.00 0.00 H new ATOM 0 HB THR A 130 10.919 5.188 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.174 3.559 2.716 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.582 5.725 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.219 6.803 1.809 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.095 5.489 2.230 1.00 0.00 H new ATOM 2055 N TYR A 131 11.102 3.917 -1.555 1.00 0.00 N ATOM 2056 CA TYR A 131 11.771 2.887 -2.341 1.00 0.00 C ATOM 2057 C TYR A 131 13.009 2.368 -1.618 1.00 0.00 C ATOM 2058 O TYR A 131 14.017 3.066 -1.512 1.00 0.00 O ATOM 2059 CB TYR A 131 12.160 3.437 -3.714 1.00 0.00 C ATOM 2060 CG TYR A 131 12.958 4.720 -3.650 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.323 5.950 -3.527 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.345 4.701 -3.712 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.048 7.124 -3.468 1.00 0.00 C ATOM 2064 CE2 TYR A 131 15.078 5.872 -3.654 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.425 7.080 -3.532 1.00 0.00 C ATOM 2066 OH TYR A 131 15.151 8.248 -3.473 1.00 0.00 O ATOM 0 H TYR A 131 11.608 4.801 -1.500 1.00 0.00 H new ATOM 0 HA TYR A 131 11.076 2.057 -2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.741 2.684 -4.246 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.255 3.611 -4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.245 5.988 -3.477 1.00 0.00 H new ATOM 0 HD2 TYR A 131 14.860 3.756 -3.807 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.539 8.072 -3.372 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.156 5.840 -3.704 1.00 0.00 H new ATOM 0 HH TYR A 131 16.107 8.042 -3.530 1.00 0.00 H new ATOM 2076 N LEU A 132 12.926 1.137 -1.123 1.00 0.00 N ATOM 2077 CA LEU A 132 14.040 0.523 -0.411 1.00 0.00 C ATOM 2078 C LEU A 132 14.959 -0.218 -1.376 1.00 0.00 C ATOM 2079 O LEU A 132 14.682 -0.301 -2.573 1.00 0.00 O ATOM 2080 CB LEU A 132 13.523 -0.442 0.661 1.00 0.00 C ATOM 2081 CG LEU A 132 12.208 -0.031 1.328 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.838 -1.013 2.428 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.312 1.381 1.884 1.00 0.00 C ATOM 0 H LEU A 132 12.099 0.546 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 132 14.610 1.317 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.391 -1.425 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.286 -0.546 1.432 1.00 0.00 H new ATOM 0 HG LEU A 132 11.420 -0.047 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 132 10.901 -0.705 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.722 -2.010 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.626 -1.030 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.368 1.657 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.112 1.423 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.530 2.076 1.073 1.00 0.00 H new ATOM 2095 N GLY A 133 16.054 -0.754 -0.848 1.00 0.00 N ATOM 2096 CA GLY A 133 16.998 -1.481 -1.678 1.00 0.00 C ATOM 2097 C GLY A 133 16.372 -2.690 -2.345 1.00 0.00 C ATOM 2098 O GLY A 133 16.018 -2.643 -3.523 1.00 0.00 O ATOM 0 H GLY A 133 16.305 -0.698 0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.395 -0.813 -2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.841 -1.803 -1.067 1.00 0.00 H new ATOM 2102 N ASP A 134 16.234 -3.775 -1.590 1.00 0.00 N ATOM 2103 CA ASP A 134 15.647 -5.002 -2.115 1.00 0.00 C ATOM 2104 C ASP A 134 15.335 -5.981 -0.988 1.00 0.00 C ATOM 2105 O ASP A 134 15.955 -5.938 0.074 1.00 0.00 O ATOM 2106 CB ASP A 134 16.593 -5.653 -3.126 1.00 0.00 C ATOM 2107 CG ASP A 134 17.919 -6.048 -2.505 1.00 0.00 C ATOM 2108 OD1 ASP A 134 18.728 -5.144 -2.207 1.00 0.00 O ATOM 2109 OD2 ASP A 134 18.148 -7.261 -2.318 1.00 0.00 O1- ATOM 0 H ASP A 134 16.521 -3.829 -0.613 1.00 0.00 H new ATOM 0 HA ASP A 134 14.714 -4.744 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 134 16.116 -6.537 -3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 134 16.772 -4.962 -3.950 1.00 0.00 H new ATOM 2114 N ALA A 135 14.372 -6.864 -1.228 1.00 0.00 N ATOM 2115 CA ALA A 135 13.978 -7.855 -0.233 1.00 0.00 C ATOM 2116 C ALA A 135 14.721 -9.169 -0.444 1.00 0.00 C ATOM 2117 O ALA A 135 14.963 -9.878 0.555 1.00 0.00 O ATOM 2118 CB ALA A 135 12.475 -8.082 -0.282 1.00 0.00 C ATOM 2119 OXT ALA A 135 15.054 -9.480 -1.607 1.00 0.00 O ATOM 0 H ALA A 135 13.850 -6.914 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 135 14.244 -7.472 0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.195 -8.824 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.959 -7.145 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.193 -8.440 -1.272 1.00 0.00 H new TER 2125 ALA A 135