USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 904 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 96 MET CE :methyl -140:sc= -0.149 (180deg=-2.02!) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= -0.0679 USER MOD Set 2.1: A 69 LYS NZ :NH3+ -179:sc=-0.000875 (180deg=-0.00333) USER MOD Set 2.2: A 71 LYS NZ :NH3+ -156:sc= 0 (180deg=0) USER MOD Set 3.1: A 62 THR OG1 : rot -170:sc= -0.298 USER MOD Set 3.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 31 THR OG1 : rot -94:sc= 0.538 USER MOD Set 4.2: A 32 HIS : no HD1:sc= 0.196 K(o=0.73,f=-1) USER MOD Single : A 1 GLY N :NH3+ -148:sc= 0.0148 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00192 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -54:sc= 0.627 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 73:sc= 0.358 USER MOD Single : A 19 MET CE :methyl 172:sc= -2.75 (180deg=-2.93!) USER MOD Single : A 26 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0025 X(o=-0.0025,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 143:sc= -0.194 (180deg=-1.48) USER MOD Single : A 47 ASN : amide:sc= -0.0968 X(o=-0.097,f=0) USER MOD Single : A 48 GLN : amide:sc= -7.05! C(o=-7!,f=-14!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -44:sc= 0.764 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -98:sc= 1.53 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 27:sc= 0.105 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00707 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 37:sc= 0.0363 USER MOD Single : A 80 TYR OH : rot 151:sc= -0.643 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A 89 THR OG1 : rot 65:sc= 0.518 USER MOD Single : A 90 MET CE :methyl 163:sc= -0.0471 (180deg=-0.384) USER MOD Single : A 91 TYR OH : rot 56:sc= 0.405 USER MOD Single : A 94 SER OG : rot 51:sc= -0.957 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.16) USER MOD Single : A 103 SER OG : rot 180:sc= 0.00907 USER MOD Single : A 104 SER OG : rot -70:sc= 0.193 USER MOD Single : A 105 THR OG1 : rot 180:sc=-0.00781 USER MOD Single : A 107 SER OG : rot 128:sc= 0.818 USER MOD Single : A 108 MET CE :methyl -128:sc= -0.0291 (180deg=-0.824) USER MOD Single : A 109 THR OG1 : rot 130:sc= -0.278 USER MOD Single : A 111 HIS : no HD1:sc= -0.0723 X(o=-0.072,f=-0.42) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.683 USER MOD Single : A 114 THR OG1 : rot -167:sc= 1.14 USER MOD Single : A 115 TYR OH : rot -176:sc= 1.24 USER MOD Single : A 118 SER OG : rot -55:sc= 0.0283 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.697 -2.712 36.197 1.00 0.00 N ATOM 2 CA GLY A 1 -7.044 -2.754 34.789 1.00 0.00 C ATOM 3 C GLY A 1 -6.911 -4.145 34.200 1.00 0.00 C ATOM 4 O GLY A 1 -7.172 -5.140 34.876 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.270 -1.987 36.674 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.884 -3.640 36.628 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.688 -2.479 36.299 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.068 -2.405 34.660 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.401 -2.067 34.239 1.00 0.00 H new ATOM 8 N SER A 2 -6.506 -4.214 32.936 1.00 0.00 N ATOM 9 CA SER A 2 -6.345 -5.494 32.255 1.00 0.00 C ATOM 10 C SER A 2 -4.869 -5.800 32.017 1.00 0.00 C ATOM 11 O SER A 2 -3.998 -4.986 32.322 1.00 0.00 O ATOM 12 CB SER A 2 -7.096 -5.484 30.922 1.00 0.00 C ATOM 13 OG SER A 2 -7.412 -6.801 30.505 1.00 0.00 O ATOM 0 H SER A 2 -6.284 -3.400 32.363 1.00 0.00 H new ATOM 0 HA SER A 2 -6.762 -6.273 32.894 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.012 -4.901 31.021 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.487 -4.995 30.162 1.00 0.00 H new ATOM 0 HG SER A 2 -7.893 -6.767 29.652 1.00 0.00 H new ATOM 19 N SER A 3 -4.597 -6.981 31.470 1.00 0.00 N ATOM 20 CA SER A 3 -3.227 -7.398 31.195 1.00 0.00 C ATOM 21 C SER A 3 -2.752 -6.850 29.852 1.00 0.00 C ATOM 22 O SER A 3 -2.187 -7.577 29.037 1.00 0.00 O ATOM 23 CB SER A 3 -3.126 -8.924 31.199 1.00 0.00 C ATOM 24 OG SER A 3 -3.092 -9.429 32.523 1.00 0.00 O ATOM 0 H SER A 3 -5.307 -7.665 31.209 1.00 0.00 H new ATOM 0 HA SER A 3 -2.586 -6.996 31.980 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.976 -9.349 30.666 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.228 -9.234 30.665 1.00 0.00 H new ATOM 0 HG SER A 3 -3.029 -10.407 32.499 1.00 0.00 H new ATOM 30 N GLY A 4 -2.986 -5.559 29.631 1.00 0.00 N ATOM 31 CA GLY A 4 -2.576 -4.934 28.387 1.00 0.00 C ATOM 32 C GLY A 4 -3.283 -5.522 27.182 1.00 0.00 C ATOM 33 O GLY A 4 -3.457 -6.737 27.088 1.00 0.00 O ATOM 0 H GLY A 4 -3.452 -4.936 30.291 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.779 -3.864 28.437 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.499 -5.049 28.264 1.00 0.00 H new ATOM 37 N SER A 5 -3.693 -4.659 26.259 1.00 0.00 N ATOM 38 CA SER A 5 -4.390 -5.100 25.056 1.00 0.00 C ATOM 39 C SER A 5 -4.461 -3.976 24.026 1.00 0.00 C ATOM 40 O SER A 5 -4.824 -2.845 24.350 1.00 0.00 O ATOM 41 CB SER A 5 -5.802 -5.577 25.405 1.00 0.00 C ATOM 42 OG SER A 5 -6.538 -5.889 24.235 1.00 0.00 O ATOM 0 H SER A 5 -3.555 -3.650 26.321 1.00 0.00 H new ATOM 0 HA SER A 5 -3.830 -5.930 24.625 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.744 -6.456 26.047 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.322 -4.803 25.970 1.00 0.00 H new ATOM 0 HG SER A 5 -7.436 -6.193 24.485 1.00 0.00 H new ATOM 48 N SER A 6 -4.111 -4.297 22.785 1.00 0.00 N ATOM 49 CA SER A 6 -4.131 -3.315 21.707 1.00 0.00 C ATOM 50 C SER A 6 -3.405 -2.038 22.122 1.00 0.00 C ATOM 51 O SER A 6 -3.896 -0.932 21.902 1.00 0.00 O ATOM 52 CB SER A 6 -5.572 -2.989 21.311 1.00 0.00 C ATOM 53 OG SER A 6 -5.610 -2.096 20.212 1.00 0.00 O ATOM 0 H SER A 6 -3.810 -5.229 22.501 1.00 0.00 H new ATOM 0 HA SER A 6 -3.614 -3.744 20.849 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.099 -3.908 21.055 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.095 -2.548 22.160 1.00 0.00 H new ATOM 0 HG SER A 6 -5.080 -1.298 20.420 1.00 0.00 H new ATOM 59 N GLY A 7 -2.232 -2.202 22.726 1.00 0.00 N ATOM 60 CA GLY A 7 -1.456 -1.055 23.163 1.00 0.00 C ATOM 61 C GLY A 7 -0.122 -0.953 22.452 1.00 0.00 C ATOM 62 O GLY A 7 0.922 -1.260 23.027 1.00 0.00 O ATOM 0 H GLY A 7 -1.805 -3.108 22.921 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.029 -0.144 22.987 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.287 -1.123 24.238 1.00 0.00 H new ATOM 66 N PHE A 8 -0.155 -0.521 21.195 1.00 0.00 N ATOM 67 CA PHE A 8 1.061 -0.381 20.403 1.00 0.00 C ATOM 68 C PHE A 8 0.920 0.745 19.383 1.00 0.00 C ATOM 69 O PHE A 8 -0.077 0.847 18.667 1.00 0.00 O ATOM 70 CB PHE A 8 1.383 -1.695 19.688 1.00 0.00 C ATOM 71 CG PHE A 8 1.842 -2.785 20.614 1.00 0.00 C ATOM 72 CD1 PHE A 8 3.044 -2.675 21.293 1.00 0.00 C ATOM 73 CD2 PHE A 8 1.070 -3.919 20.805 1.00 0.00 C ATOM 74 CE1 PHE A 8 3.469 -3.677 22.145 1.00 0.00 C ATOM 75 CE2 PHE A 8 1.489 -4.924 21.657 1.00 0.00 C ATOM 76 CZ PHE A 8 2.690 -4.802 22.328 1.00 0.00 C ATOM 0 H PHE A 8 -1.011 -0.262 20.704 1.00 0.00 H new ATOM 0 HA PHE A 8 1.879 -0.133 21.080 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.497 -2.034 19.152 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.157 -1.513 18.942 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.656 -1.796 21.155 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.130 -4.019 20.282 1.00 0.00 H new ATOM 0 HE1 PHE A 8 4.409 -3.580 22.667 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.878 -5.803 21.798 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.019 -5.585 22.995 1.00 0.00 H new ATOM 86 N PRO A 9 1.940 1.612 19.314 1.00 0.00 N ATOM 87 CA PRO A 9 1.954 2.747 18.386 1.00 0.00 C ATOM 88 C PRO A 9 2.103 2.306 16.934 1.00 0.00 C ATOM 89 O PRO A 9 2.933 1.455 16.614 1.00 0.00 O ATOM 90 CB PRO A 9 3.178 3.552 18.828 1.00 0.00 C ATOM 91 CG PRO A 9 4.070 2.556 19.485 1.00 0.00 C ATOM 92 CD PRO A 9 3.160 1.552 20.137 1.00 0.00 C ATOM 0 HA PRO A 9 1.022 3.311 18.418 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.670 4.023 17.977 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.900 4.349 19.517 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.722 2.076 18.756 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.714 3.035 20.222 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.597 0.553 20.136 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.957 1.810 21.176 1.00 0.00 H new ATOM 100 N THR A 10 1.292 2.890 16.057 1.00 0.00 N ATOM 101 CA THR A 10 1.333 2.557 14.638 1.00 0.00 C ATOM 102 C THR A 10 2.172 3.565 13.861 1.00 0.00 C ATOM 103 O THR A 10 3.198 3.215 13.278 1.00 0.00 O ATOM 104 CB THR A 10 -0.082 2.507 14.032 1.00 0.00 C ATOM 105 OG1 THR A 10 -0.891 1.570 14.752 1.00 0.00 O ATOM 106 CG2 THR A 10 -0.028 2.115 12.563 1.00 0.00 C ATOM 0 H THR A 10 0.599 3.596 16.305 1.00 0.00 H new ATOM 0 HA THR A 10 1.789 1.570 14.557 1.00 0.00 H new ATOM 0 HB THR A 10 -0.522 3.501 14.110 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.789 1.546 14.361 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.039 2.086 12.157 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.564 2.847 12.013 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.430 1.131 12.466 1.00 0.00 H new ATOM 114 N SER A 11 1.729 4.818 13.857 1.00 0.00 N ATOM 115 CA SER A 11 2.438 5.877 13.148 1.00 0.00 C ATOM 116 C SER A 11 2.488 7.152 13.984 1.00 0.00 C ATOM 117 O SER A 11 1.485 7.568 14.563 1.00 0.00 O ATOM 118 CB SER A 11 1.764 6.161 11.804 1.00 0.00 C ATOM 119 OG SER A 11 2.447 7.180 11.096 1.00 0.00 O ATOM 0 H SER A 11 0.883 5.125 14.337 1.00 0.00 H new ATOM 0 HA SER A 11 3.459 5.540 12.970 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.742 5.250 11.205 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.729 6.460 11.969 1.00 0.00 H new ATOM 0 HG SER A 11 1.998 7.341 10.240 1.00 0.00 H new ATOM 125 N VAL A 12 3.664 7.769 14.042 1.00 0.00 N ATOM 126 CA VAL A 12 3.846 8.997 14.806 1.00 0.00 C ATOM 127 C VAL A 12 2.716 9.984 14.538 1.00 0.00 C ATOM 128 O VAL A 12 2.546 10.484 13.426 1.00 0.00 O ATOM 129 CB VAL A 12 5.191 9.671 14.473 1.00 0.00 C ATOM 130 CG1 VAL A 12 6.302 9.104 15.343 1.00 0.00 C ATOM 131 CG2 VAL A 12 5.520 9.503 12.998 1.00 0.00 C ATOM 0 H VAL A 12 4.505 7.438 13.569 1.00 0.00 H new ATOM 0 HA VAL A 12 3.838 8.718 15.860 1.00 0.00 H new ATOM 0 HB VAL A 12 5.105 10.737 14.684 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.244 9.592 15.094 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.068 9.281 16.393 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.391 8.032 15.167 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.473 9.985 12.781 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.587 8.442 12.759 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.736 9.962 12.396 1.00 0.00 H new ATOM 141 N PRO A 13 1.923 10.273 15.580 1.00 0.00 N ATOM 142 CA PRO A 13 0.795 11.204 15.483 1.00 0.00 C ATOM 143 C PRO A 13 1.249 12.648 15.302 1.00 0.00 C ATOM 144 O PRO A 13 2.395 12.989 15.592 1.00 0.00 O ATOM 145 CB PRO A 13 0.077 11.033 16.824 1.00 0.00 C ATOM 146 CG PRO A 13 1.132 10.554 17.760 1.00 0.00 C ATOM 147 CD PRO A 13 2.067 9.714 16.935 1.00 0.00 C ATOM 0 HA PRO A 13 0.166 10.993 14.618 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.356 11.974 17.164 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.740 10.315 16.747 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.659 11.392 18.215 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.698 9.971 18.572 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.094 9.787 17.293 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.793 8.659 16.966 1.00 0.00 H new ATOM 155 N ASP A 14 0.342 13.493 14.822 1.00 0.00 N ATOM 156 CA ASP A 14 0.649 14.901 14.604 1.00 0.00 C ATOM 157 C ASP A 14 1.806 15.060 13.621 1.00 0.00 C ATOM 158 O ASP A 14 2.789 15.743 13.909 1.00 0.00 O ATOM 159 CB ASP A 14 0.994 15.581 15.930 1.00 0.00 C ATOM 160 CG ASP A 14 1.161 17.081 15.785 1.00 0.00 C ATOM 161 OD1 ASP A 14 0.210 17.742 15.318 1.00 0.00 O ATOM 162 OD2 ASP A 14 2.243 17.594 16.140 1.00 0.00 O ATOM 0 H ASP A 14 -0.612 13.226 14.577 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.234 15.378 14.178 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.208 15.374 16.656 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.915 15.152 16.326 1.00 0.00 H new ATOM 167 N LEU A 15 1.681 14.424 12.462 1.00 0.00 N ATOM 168 CA LEU A 15 2.716 14.493 11.436 1.00 0.00 C ATOM 169 C LEU A 15 3.092 15.941 11.139 1.00 0.00 C ATOM 170 O LEU A 15 2.270 16.720 10.656 1.00 0.00 O ATOM 171 CB LEU A 15 2.240 13.805 10.156 1.00 0.00 C ATOM 172 CG LEU A 15 2.017 12.295 10.248 1.00 0.00 C ATOM 173 CD1 LEU A 15 1.062 11.828 9.161 1.00 0.00 C ATOM 174 CD2 LEU A 15 3.342 11.553 10.151 1.00 0.00 C ATOM 0 H LEU A 15 0.873 13.855 12.209 1.00 0.00 H new ATOM 0 HA LEU A 15 3.600 13.977 11.811 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.306 14.271 9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.971 13.997 9.371 1.00 0.00 H new ATOM 0 HG LEU A 15 1.569 12.073 11.216 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.916 10.751 9.243 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.104 12.334 9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.481 12.064 8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.164 10.480 10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.819 11.783 9.198 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.994 11.864 10.967 1.00 0.00 H new ATOM 186 N SER A 16 4.340 16.294 11.428 1.00 0.00 N ATOM 187 CA SER A 16 4.825 17.649 11.194 1.00 0.00 C ATOM 188 C SER A 16 5.692 17.706 9.939 1.00 0.00 C ATOM 189 O SER A 16 6.874 18.047 10.001 1.00 0.00 O ATOM 190 CB SER A 16 5.623 18.145 12.402 1.00 0.00 C ATOM 191 OG SER A 16 5.554 19.556 12.514 1.00 0.00 O ATOM 0 H SER A 16 5.034 15.660 11.825 1.00 0.00 H new ATOM 0 HA SER A 16 3.961 18.297 11.048 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.236 17.685 13.311 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.664 17.835 12.307 1.00 0.00 H new ATOM 0 HG SER A 16 6.070 19.848 13.294 1.00 0.00 H new ATOM 197 N THR A 17 5.096 17.370 8.800 1.00 0.00 N ATOM 198 CA THR A 17 5.812 17.381 7.530 1.00 0.00 C ATOM 199 C THR A 17 5.196 18.383 6.560 1.00 0.00 C ATOM 200 O THR A 17 3.992 18.642 6.579 1.00 0.00 O ATOM 201 CB THR A 17 5.817 15.987 6.876 1.00 0.00 C ATOM 202 OG1 THR A 17 4.473 15.520 6.707 1.00 0.00 O ATOM 203 CG2 THR A 17 6.601 14.995 7.721 1.00 0.00 C ATOM 0 H THR A 17 4.119 17.087 8.730 1.00 0.00 H new ATOM 0 HA THR A 17 6.839 17.675 7.749 1.00 0.00 H new ATOM 0 HB THR A 17 6.298 16.069 5.901 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.040 16.022 5.985 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.590 14.018 7.238 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.631 15.338 7.823 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.145 14.917 8.708 1.00 0.00 H new ATOM 211 N PRO A 18 6.038 18.961 5.691 1.00 0.00 N ATOM 212 CA PRO A 18 5.598 19.943 4.696 1.00 0.00 C ATOM 213 C PRO A 18 4.742 19.315 3.601 1.00 0.00 C ATOM 214 O PRO A 18 4.358 19.983 2.641 1.00 0.00 O ATOM 215 CB PRO A 18 6.911 20.470 4.112 1.00 0.00 C ATOM 216 CG PRO A 18 7.890 19.368 4.328 1.00 0.00 C ATOM 217 CD PRO A 18 7.485 18.699 5.612 1.00 0.00 C ATOM 0 HA PRO A 18 4.971 20.718 5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.807 20.705 3.053 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.228 21.385 4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.872 18.662 3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.906 19.756 4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.700 17.630 5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.016 19.116 6.468 1.00 0.00 H new ATOM 225 N MET A 19 4.448 18.028 3.751 1.00 0.00 N ATOM 226 CA MET A 19 3.636 17.311 2.774 1.00 0.00 C ATOM 227 C MET A 19 2.507 16.548 3.461 1.00 0.00 C ATOM 228 O MET A 19 2.480 16.430 4.687 1.00 0.00 O ATOM 229 CB MET A 19 4.505 16.342 1.969 1.00 0.00 C ATOM 230 CG MET A 19 5.383 17.029 0.936 1.00 0.00 C ATOM 231 SD MET A 19 4.426 17.913 -0.311 1.00 0.00 S ATOM 232 CE MET A 19 3.715 16.545 -1.223 1.00 0.00 C ATOM 0 H MET A 19 4.759 17.460 4.539 1.00 0.00 H new ATOM 0 HA MET A 19 3.197 18.043 2.096 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.138 15.779 2.655 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.861 15.622 1.465 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.050 17.728 1.439 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.011 16.285 0.446 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.985 16.925 -1.938 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.504 16.014 -1.757 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.223 15.862 -0.530 1.00 0.00 H new ATOM 242 N LEU A 20 1.577 16.034 2.664 1.00 0.00 N ATOM 243 CA LEU A 20 0.445 15.283 3.196 1.00 0.00 C ATOM 244 C LEU A 20 0.113 14.093 2.301 1.00 0.00 C ATOM 245 O LEU A 20 -0.457 14.238 1.219 1.00 0.00 O ATOM 246 CB LEU A 20 -0.778 16.192 3.329 1.00 0.00 C ATOM 247 CG LEU A 20 -1.797 15.794 4.397 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.368 14.415 4.102 1.00 0.00 C ATOM 249 CD2 LEU A 20 -1.161 15.825 5.779 1.00 0.00 C ATOM 0 H LEU A 20 1.584 16.123 1.648 1.00 0.00 H new ATOM 0 HA LEU A 20 0.720 14.908 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.432 17.203 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.286 16.227 2.365 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.614 16.515 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.091 14.148 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.861 14.426 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.562 13.682 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.901 15.539 6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.325 15.127 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.801 16.832 5.991 1.00 0.00 H new ATOM 261 N PRO A 21 0.474 12.886 2.762 1.00 0.00 N ATOM 262 CA PRO A 21 0.222 11.647 2.020 1.00 0.00 C ATOM 263 C PRO A 21 -1.260 11.293 1.971 1.00 0.00 C ATOM 264 O PRO A 21 -2.089 11.889 2.658 1.00 0.00 O ATOM 265 CB PRO A 21 0.998 10.594 2.815 1.00 0.00 C ATOM 266 CG PRO A 21 1.078 11.145 4.196 1.00 0.00 C ATOM 267 CD PRO A 21 1.157 12.639 4.043 1.00 0.00 C ATOM 0 HA PRO A 21 0.530 11.726 0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.486 9.632 2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.991 10.433 2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.204 10.859 4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.953 10.760 4.720 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.664 13.154 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.190 12.987 4.022 1.00 0.00 H new ATOM 275 N PRO A 22 -1.604 10.298 1.139 1.00 0.00 N ATOM 276 CA PRO A 22 -2.988 9.841 0.981 1.00 0.00 C ATOM 277 C PRO A 22 -3.503 9.115 2.219 1.00 0.00 C ATOM 278 O PRO A 22 -2.790 8.980 3.214 1.00 0.00 O ATOM 279 CB PRO A 22 -2.910 8.880 -0.208 1.00 0.00 C ATOM 280 CG PRO A 22 -1.501 8.396 -0.213 1.00 0.00 C ATOM 281 CD PRO A 22 -0.668 9.543 0.289 1.00 0.00 C ATOM 0 HA PRO A 22 -3.677 10.672 0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.612 8.054 -0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.158 9.385 -1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.387 7.521 0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.194 8.100 -1.216 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.196 9.195 0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.288 10.153 -0.531 1.00 0.00 H new ATOM 289 N VAL A 23 -4.746 8.650 2.152 1.00 0.00 N ATOM 290 CA VAL A 23 -5.357 7.936 3.268 1.00 0.00 C ATOM 291 C VAL A 23 -6.285 6.833 2.772 1.00 0.00 C ATOM 292 O VAL A 23 -6.423 6.617 1.569 1.00 0.00 O ATOM 293 CB VAL A 23 -6.152 8.892 4.177 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.300 10.089 4.569 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.432 9.341 3.487 1.00 0.00 C ATOM 0 H VAL A 23 -5.350 8.755 1.337 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.545 7.491 3.843 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.425 8.358 5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.879 10.753 5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.415 9.746 5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.994 10.627 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.982 10.016 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.184 9.858 2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.049 8.471 3.263 1.00 0.00 H new ATOM 305 N GLY A 24 -6.921 6.137 3.709 1.00 0.00 N ATOM 306 CA GLY A 24 -7.829 5.064 3.349 1.00 0.00 C ATOM 307 C GLY A 24 -7.263 4.163 2.269 1.00 0.00 C ATOM 308 O GLY A 24 -7.985 3.725 1.374 1.00 0.00 O ATOM 0 H GLY A 24 -6.824 6.297 4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.052 4.469 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.772 5.490 3.005 1.00 0.00 H new ATOM 312 N VAL A 25 -5.965 3.886 2.353 1.00 0.00 N ATOM 313 CA VAL A 25 -5.301 3.032 1.375 1.00 0.00 C ATOM 314 C VAL A 25 -5.817 1.600 1.457 1.00 0.00 C ATOM 315 O VAL A 25 -5.612 0.912 2.456 1.00 0.00 O ATOM 316 CB VAL A 25 -3.774 3.029 1.578 1.00 0.00 C ATOM 317 CG1 VAL A 25 -3.092 2.227 0.481 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.240 4.452 1.621 1.00 0.00 C ATOM 0 H VAL A 25 -5.353 4.241 3.088 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.528 3.441 0.391 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.552 2.554 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.014 2.236 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.454 1.199 0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.319 2.670 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.160 4.431 1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.471 4.956 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.706 4.991 2.446 1.00 0.00 H new ATOM 328 N GLN A 26 -6.488 1.157 0.398 1.00 0.00 N ATOM 329 CA GLN A 26 -7.033 -0.194 0.350 1.00 0.00 C ATOM 330 C GLN A 26 -6.329 -1.028 -0.715 1.00 0.00 C ATOM 331 O GLN A 26 -5.925 -0.511 -1.756 1.00 0.00 O ATOM 332 CB GLN A 26 -8.536 -0.150 0.069 1.00 0.00 C ATOM 333 CG GLN A 26 -9.133 -1.508 -0.262 1.00 0.00 C ATOM 334 CD GLN A 26 -9.168 -2.437 0.936 1.00 0.00 C ATOM 335 OE1 GLN A 26 -8.688 -2.094 2.017 1.00 0.00 O ATOM 336 NE2 GLN A 26 -9.738 -3.622 0.750 1.00 0.00 N ATOM 0 H GLN A 26 -6.667 1.714 -0.437 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.865 -0.661 1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.048 0.260 0.939 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.722 0.532 -0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.146 -1.373 -0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.552 -1.971 -1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.123 -3.865 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.791 -4.289 1.520 1.00 0.00 H new ATOM 345 N ALA A 27 -6.185 -2.322 -0.446 1.00 0.00 N ATOM 346 CA ALA A 27 -5.530 -3.228 -1.382 1.00 0.00 C ATOM 347 C ALA A 27 -6.473 -4.346 -1.814 1.00 0.00 C ATOM 348 O ALA A 27 -6.688 -5.309 -1.078 1.00 0.00 O ATOM 349 CB ALA A 27 -4.269 -3.809 -0.759 1.00 0.00 C ATOM 0 H ALA A 27 -6.513 -2.766 0.412 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.254 -2.658 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.790 -4.484 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.582 -3.001 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.530 -4.359 0.145 1.00 0.00 H new ATOM 355 N VAL A 28 -7.034 -4.211 -3.011 1.00 0.00 N ATOM 356 CA VAL A 28 -7.954 -5.210 -3.541 1.00 0.00 C ATOM 357 C VAL A 28 -7.224 -6.217 -4.422 1.00 0.00 C ATOM 358 O VAL A 28 -6.386 -5.845 -5.244 1.00 0.00 O ATOM 359 CB VAL A 28 -9.085 -4.555 -4.357 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.125 -5.590 -4.755 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.723 -3.421 -3.569 1.00 0.00 C ATOM 0 H VAL A 28 -6.867 -3.419 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.387 -5.727 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.657 -4.137 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.916 -5.109 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.655 -6.364 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.551 -6.041 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.520 -2.970 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.138 -3.812 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.969 -2.667 -3.341 1.00 0.00 H new ATOM 371 N ALA A 29 -7.548 -7.493 -4.246 1.00 0.00 N ATOM 372 CA ALA A 29 -6.925 -8.555 -5.027 1.00 0.00 C ATOM 373 C ALA A 29 -7.816 -8.977 -6.190 1.00 0.00 C ATOM 374 O ALA A 29 -8.908 -9.510 -5.988 1.00 0.00 O ATOM 375 CB ALA A 29 -6.612 -9.750 -4.139 1.00 0.00 C ATOM 0 H ALA A 29 -8.239 -7.817 -3.569 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.993 -8.169 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.147 -10.535 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.929 -9.445 -3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.535 -10.127 -3.698 1.00 0.00 H new ATOM 381 N LEU A 30 -7.345 -8.734 -7.408 1.00 0.00 N ATOM 382 CA LEU A 30 -8.100 -9.089 -8.605 1.00 0.00 C ATOM 383 C LEU A 30 -7.910 -10.562 -8.953 1.00 0.00 C ATOM 384 O LEU A 30 -8.879 -11.305 -9.111 1.00 0.00 O ATOM 385 CB LEU A 30 -7.667 -8.215 -9.783 1.00 0.00 C ATOM 386 CG LEU A 30 -7.478 -6.728 -9.482 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.540 -6.092 -10.497 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.820 -6.011 -9.472 1.00 0.00 C ATOM 0 H LEU A 30 -6.444 -8.293 -7.593 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.157 -8.917 -8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.729 -8.608 -10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.410 -8.313 -10.575 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.029 -6.632 -8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.418 -5.034 -10.266 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.570 -6.587 -10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.960 -6.199 -11.497 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.666 -4.954 -9.256 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.296 -6.117 -10.447 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.460 -6.448 -8.706 1.00 0.00 H new ATOM 400 N THR A 31 -6.653 -10.980 -9.069 1.00 0.00 N ATOM 401 CA THR A 31 -6.335 -12.364 -9.397 1.00 0.00 C ATOM 402 C THR A 31 -5.067 -12.820 -8.684 1.00 0.00 C ATOM 403 O THR A 31 -4.411 -12.034 -7.998 1.00 0.00 O ATOM 404 CB THR A 31 -6.155 -12.554 -10.914 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.395 -13.921 -11.268 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.753 -12.152 -11.348 1.00 0.00 C ATOM 0 H THR A 31 -5.839 -10.379 -8.941 1.00 0.00 H new ATOM 0 HA THR A 31 -7.176 -12.971 -9.060 1.00 0.00 H new ATOM 0 HB THR A 31 -6.874 -11.914 -11.426 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.546 -14.410 -11.279 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.650 -12.295 -12.424 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.583 -11.103 -11.103 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.020 -12.769 -10.828 1.00 0.00 H new ATOM 414 N HIS A 32 -4.725 -14.093 -8.852 1.00 0.00 N ATOM 415 CA HIS A 32 -3.532 -14.653 -8.225 1.00 0.00 C ATOM 416 C HIS A 32 -2.332 -13.732 -8.420 1.00 0.00 C ATOM 417 O HIS A 32 -1.541 -13.524 -7.500 1.00 0.00 O ATOM 418 CB HIS A 32 -3.228 -16.036 -8.804 1.00 0.00 C ATOM 419 CG HIS A 32 -3.151 -16.055 -10.300 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.265 -16.119 -11.110 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.084 -16.017 -11.132 1.00 0.00 C ATOM 422 CE1 HIS A 32 -3.887 -16.121 -12.376 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.568 -16.059 -12.416 1.00 0.00 N ATOM 0 H HIS A 32 -5.256 -14.756 -9.416 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.724 -14.748 -7.156 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.282 -16.392 -8.395 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.999 -16.734 -8.479 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.046 -15.964 -10.840 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.544 -16.166 -13.232 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.001 -16.045 -13.264 1.00 0.00 H new ATOM 432 N ASP A 33 -2.203 -13.183 -9.623 1.00 0.00 N ATOM 433 CA ASP A 33 -1.100 -12.283 -9.939 1.00 0.00 C ATOM 434 C ASP A 33 -1.617 -10.895 -10.300 1.00 0.00 C ATOM 435 O ASP A 33 -1.117 -10.257 -11.227 1.00 0.00 O ATOM 436 CB ASP A 33 -0.267 -12.847 -11.091 1.00 0.00 C ATOM 437 CG ASP A 33 0.580 -14.031 -10.668 1.00 0.00 C ATOM 438 OD1 ASP A 33 0.608 -14.338 -9.458 1.00 0.00 O ATOM 439 OD2 ASP A 33 1.216 -14.650 -11.547 1.00 0.00 O ATOM 0 H ASP A 33 -2.849 -13.346 -10.396 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.470 -12.197 -9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.931 -13.150 -11.901 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.380 -12.063 -11.485 1.00 0.00 H new ATOM 444 N ALA A 34 -2.622 -10.433 -9.564 1.00 0.00 N ATOM 445 CA ALA A 34 -3.207 -9.120 -9.806 1.00 0.00 C ATOM 446 C ALA A 34 -3.808 -8.542 -8.530 1.00 0.00 C ATOM 447 O ALA A 34 -4.558 -9.217 -7.824 1.00 0.00 O ATOM 448 CB ALA A 34 -4.264 -9.206 -10.898 1.00 0.00 C ATOM 0 H ALA A 34 -3.048 -10.949 -8.794 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.412 -8.451 -10.136 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.692 -8.218 -11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.807 -9.567 -11.819 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.051 -9.894 -10.589 1.00 0.00 H new ATOM 454 N VAL A 35 -3.473 -7.289 -8.238 1.00 0.00 N ATOM 455 CA VAL A 35 -3.980 -6.620 -7.046 1.00 0.00 C ATOM 456 C VAL A 35 -4.252 -5.145 -7.317 1.00 0.00 C ATOM 457 O VAL A 35 -3.329 -4.370 -7.570 1.00 0.00 O ATOM 458 CB VAL A 35 -2.992 -6.742 -5.870 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.239 -5.642 -4.849 1.00 0.00 C ATOM 460 CG2 VAL A 35 -3.099 -8.115 -5.225 1.00 0.00 C ATOM 0 H VAL A 35 -2.853 -6.717 -8.811 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.914 -7.115 -6.779 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.979 -6.626 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.532 -5.744 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.106 -4.669 -5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.256 -5.723 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.394 -8.184 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.113 -8.264 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.867 -8.883 -5.963 1.00 0.00 H new ATOM 470 N ARG A 36 -5.523 -4.763 -7.262 1.00 0.00 N ATOM 471 CA ARG A 36 -5.917 -3.380 -7.502 1.00 0.00 C ATOM 472 C ARG A 36 -5.842 -2.562 -6.216 1.00 0.00 C ATOM 473 O ARG A 36 -6.668 -2.721 -5.317 1.00 0.00 O ATOM 474 CB ARG A 36 -7.335 -3.322 -8.073 1.00 0.00 C ATOM 475 CG ARG A 36 -7.897 -1.913 -8.168 1.00 0.00 C ATOM 476 CD ARG A 36 -7.169 -1.093 -9.221 1.00 0.00 C ATOM 477 NE ARG A 36 -7.793 -1.213 -10.536 1.00 0.00 N ATOM 478 CZ ARG A 36 -8.853 -0.506 -10.914 1.00 0.00 C ATOM 479 NH1 ARG A 36 -9.403 0.367 -10.082 1.00 0.00 N ATOM 480 NH2 ARG A 36 -9.364 -0.672 -12.127 1.00 0.00 N ATOM 0 H ARG A 36 -6.298 -5.392 -7.053 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.223 -2.952 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.336 -3.772 -9.066 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.994 -3.925 -7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.959 -1.959 -8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.813 -1.420 -7.199 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.156 -0.045 -8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.131 -1.420 -9.281 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.393 -1.876 -11.201 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.013 0.498 -9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.216 0.908 -10.375 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.943 -1.343 -12.770 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.178 -0.129 -12.416 1.00 0.00 H new ATOM 494 N VAL A 37 -4.844 -1.687 -6.135 1.00 0.00 N ATOM 495 CA VAL A 37 -4.661 -0.843 -4.959 1.00 0.00 C ATOM 496 C VAL A 37 -5.324 0.516 -5.150 1.00 0.00 C ATOM 497 O VAL A 37 -4.824 1.364 -5.888 1.00 0.00 O ATOM 498 CB VAL A 37 -3.168 -0.634 -4.646 1.00 0.00 C ATOM 499 CG1 VAL A 37 -2.998 0.186 -3.376 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.457 -1.973 -4.524 1.00 0.00 C ATOM 0 H VAL A 37 -4.150 -1.544 -6.869 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.131 -1.359 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.716 -0.082 -5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.936 0.323 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.471 1.159 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.464 -0.336 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.403 -1.806 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.909 -2.553 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.549 -2.520 -5.462 1.00 0.00 H new ATOM 510 N SER A 38 -6.454 0.717 -4.478 1.00 0.00 N ATOM 511 CA SER A 38 -7.188 1.973 -4.575 1.00 0.00 C ATOM 512 C SER A 38 -7.132 2.738 -3.257 1.00 0.00 C ATOM 513 O SER A 38 -7.190 2.146 -2.179 1.00 0.00 O ATOM 514 CB SER A 38 -8.644 1.707 -4.962 1.00 0.00 C ATOM 515 OG SER A 38 -9.383 1.212 -3.859 1.00 0.00 O ATOM 0 H SER A 38 -6.880 0.026 -3.861 1.00 0.00 H new ATOM 0 HA SER A 38 -6.719 2.582 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.101 2.627 -5.326 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.680 0.988 -5.780 1.00 0.00 H new ATOM 0 HG SER A 38 -10.310 1.052 -4.132 1.00 0.00 H new ATOM 521 N TRP A 39 -7.019 4.058 -3.351 1.00 0.00 N ATOM 522 CA TRP A 39 -6.954 4.906 -2.166 1.00 0.00 C ATOM 523 C TRP A 39 -7.716 6.209 -2.387 1.00 0.00 C ATOM 524 O TRP A 39 -8.302 6.424 -3.448 1.00 0.00 O ATOM 525 CB TRP A 39 -5.498 5.207 -1.807 1.00 0.00 C ATOM 526 CG TRP A 39 -4.742 5.884 -2.910 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.572 7.228 -3.082 1.00 0.00 C ATOM 528 CD2 TRP A 39 -4.056 5.249 -3.994 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.822 7.467 -4.208 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.492 6.269 -4.785 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.862 3.918 -4.373 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.749 5.998 -5.931 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.124 3.650 -5.511 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.574 4.686 -6.278 1.00 0.00 C ATOM 0 H TRP A 39 -6.970 4.564 -4.235 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.420 4.369 -1.340 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.473 5.838 -0.919 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.995 4.275 -1.550 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.969 7.991 -2.429 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.554 8.387 -4.558 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.281 3.113 -3.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.326 6.795 -6.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.969 2.625 -5.814 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.001 4.444 -7.161 1.00 0.00 H new ATOM 545 N ALA A 40 -7.703 7.075 -1.380 1.00 0.00 N ATOM 546 CA ALA A 40 -8.390 8.357 -1.466 1.00 0.00 C ATOM 547 C ALA A 40 -7.410 9.517 -1.323 1.00 0.00 C ATOM 548 O ALA A 40 -6.307 9.349 -0.802 1.00 0.00 O ATOM 549 CB ALA A 40 -9.475 8.447 -0.403 1.00 0.00 C ATOM 0 H ALA A 40 -7.224 6.912 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.853 8.427 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.980 9.410 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.198 7.645 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.025 8.350 0.585 1.00 0.00 H new ATOM 555 N ASP A 41 -7.818 10.691 -1.790 1.00 0.00 N ATOM 556 CA ASP A 41 -6.975 11.879 -1.714 1.00 0.00 C ATOM 557 C ASP A 41 -7.432 12.799 -0.586 1.00 0.00 C ATOM 558 O ASP A 41 -8.587 13.223 -0.547 1.00 0.00 O ATOM 559 CB ASP A 41 -6.999 12.633 -3.045 1.00 0.00 C ATOM 560 CG ASP A 41 -8.390 13.108 -3.417 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.233 12.256 -3.766 1.00 0.00 O ATOM 562 OD2 ASP A 41 -8.635 14.331 -3.359 1.00 0.00 O ATOM 0 H ASP A 41 -8.727 10.846 -2.225 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.955 11.557 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.329 13.491 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.617 11.985 -3.833 1.00 0.00 H new ATOM 567 N ASN A 42 -6.519 13.102 0.330 1.00 0.00 N ATOM 568 CA ASN A 42 -6.829 13.970 1.461 1.00 0.00 C ATOM 569 C ASN A 42 -6.418 15.410 1.169 1.00 0.00 C ATOM 570 O ASN A 42 -7.234 16.328 1.254 1.00 0.00 O ATOM 571 CB ASN A 42 -6.121 13.471 2.722 1.00 0.00 C ATOM 572 CG ASN A 42 -6.891 13.801 3.986 1.00 0.00 C ATOM 573 OD1 ASN A 42 -6.620 14.802 4.648 1.00 0.00 O ATOM 574 ND2 ASN A 42 -7.858 12.956 4.326 1.00 0.00 N ATOM 0 H ASN A 42 -5.558 12.760 0.312 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.907 13.944 1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.983 12.392 2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.128 13.916 2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.411 13.125 5.166 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.048 12.138 3.747 1.00 0.00 H new ATOM 581 N SER A 43 -5.149 15.600 0.824 1.00 0.00 N ATOM 582 CA SER A 43 -4.629 16.928 0.523 1.00 0.00 C ATOM 583 C SER A 43 -5.628 17.727 -0.310 1.00 0.00 C ATOM 584 O SER A 43 -5.775 18.936 -0.132 1.00 0.00 O ATOM 585 CB SER A 43 -3.297 16.821 -0.223 1.00 0.00 C ATOM 586 OG SER A 43 -2.503 17.977 -0.017 1.00 0.00 O ATOM 0 H SER A 43 -4.462 14.850 0.746 1.00 0.00 H new ATOM 0 HA SER A 43 -4.468 17.450 1.466 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.756 15.939 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.483 16.689 -1.289 1.00 0.00 H new ATOM 0 HG SER A 43 -1.657 17.883 -0.502 1.00 0.00 H new ATOM 592 N VAL A 44 -6.312 17.040 -1.220 1.00 0.00 N ATOM 593 CA VAL A 44 -7.298 17.684 -2.080 1.00 0.00 C ATOM 594 C VAL A 44 -8.717 17.364 -1.624 1.00 0.00 C ATOM 595 O VAL A 44 -9.191 16.233 -1.736 1.00 0.00 O ATOM 596 CB VAL A 44 -7.132 17.248 -3.548 1.00 0.00 C ATOM 597 CG1 VAL A 44 -8.125 17.979 -4.438 1.00 0.00 C ATOM 598 CG2 VAL A 44 -5.705 17.490 -4.017 1.00 0.00 C ATOM 0 H VAL A 44 -6.202 16.039 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.129 18.758 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.337 16.180 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.993 17.658 -5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.140 17.751 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.955 19.053 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.605 17.176 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.470 18.551 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.016 16.916 -3.397 1.00 0.00 H new ATOM 608 N PRO A 45 -9.413 18.382 -1.098 1.00 0.00 N ATOM 609 CA PRO A 45 -10.789 18.235 -0.615 1.00 0.00 C ATOM 610 C PRO A 45 -11.782 18.015 -1.751 1.00 0.00 C ATOM 611 O PRO A 45 -11.392 17.861 -2.909 1.00 0.00 O ATOM 612 CB PRO A 45 -11.065 19.567 0.085 1.00 0.00 C ATOM 613 CG PRO A 45 -10.143 20.537 -0.571 1.00 0.00 C ATOM 614 CD PRO A 45 -8.911 19.757 -0.934 1.00 0.00 C ATOM 0 HA PRO A 45 -10.902 17.366 0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.106 19.868 -0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.872 19.499 1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.603 20.974 -1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.900 21.360 0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.455 20.130 -1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.153 19.817 -0.153 1.00 0.00 H new ATOM 622 N LYS A 46 -13.067 18.002 -1.414 1.00 0.00 N ATOM 623 CA LYS A 46 -14.117 17.803 -2.406 1.00 0.00 C ATOM 624 C LYS A 46 -13.864 18.656 -3.645 1.00 0.00 C ATOM 625 O LYS A 46 -13.728 18.135 -4.751 1.00 0.00 O ATOM 626 CB LYS A 46 -15.484 18.145 -1.808 1.00 0.00 C ATOM 627 CG LYS A 46 -15.514 19.481 -1.086 1.00 0.00 C ATOM 628 CD LYS A 46 -16.593 19.512 -0.016 1.00 0.00 C ATOM 629 CE LYS A 46 -17.976 19.689 -0.624 1.00 0.00 C ATOM 630 NZ LYS A 46 -18.519 18.406 -1.149 1.00 0.00 N ATOM 0 H LYS A 46 -13.407 18.127 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.109 16.754 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.228 18.155 -2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.774 17.358 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.542 19.671 -0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.690 20.281 -1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.563 18.587 0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -16.393 20.327 0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.655 20.090 0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -17.927 20.420 -1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.543 18.365 -0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.341 18.346 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.053 17.610 -0.669 1.00 0.00 H new ATOM 644 N ASN A 47 -13.801 19.969 -3.450 1.00 0.00 N ATOM 645 CA ASN A 47 -13.564 20.894 -4.552 1.00 0.00 C ATOM 646 C ASN A 47 -12.311 21.729 -4.301 1.00 0.00 C ATOM 647 O ASN A 47 -12.175 22.361 -3.254 1.00 0.00 O ATOM 648 CB ASN A 47 -14.772 21.813 -4.744 1.00 0.00 C ATOM 649 CG ASN A 47 -15.860 21.170 -5.582 1.00 0.00 C ATOM 650 OD1 ASN A 47 -16.984 20.977 -5.118 1.00 0.00 O ATOM 651 ND2 ASN A 47 -15.530 20.834 -6.823 1.00 0.00 N ATOM 0 H ASN A 47 -13.911 20.416 -2.540 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.414 20.308 -5.459 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -15.179 22.082 -3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -14.449 22.738 -5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -16.220 20.397 -7.434 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.586 21.013 -7.166 1.00 0.00 H new ATOM 658 N GLN A 48 -11.401 21.725 -5.270 1.00 0.00 N ATOM 659 CA GLN A 48 -10.160 22.482 -5.153 1.00 0.00 C ATOM 660 C GLN A 48 -9.382 22.457 -6.465 1.00 0.00 C ATOM 661 O GLN A 48 -9.282 21.420 -7.121 1.00 0.00 O ATOM 662 CB GLN A 48 -9.296 21.916 -4.024 1.00 0.00 C ATOM 663 CG GLN A 48 -8.060 22.749 -3.728 1.00 0.00 C ATOM 664 CD GLN A 48 -6.958 22.541 -4.748 1.00 0.00 C ATOM 665 OE1 GLN A 48 -6.454 23.497 -5.338 1.00 0.00 O ATOM 666 NE2 GLN A 48 -6.577 21.287 -4.961 1.00 0.00 N ATOM 0 H GLN A 48 -11.499 21.207 -6.143 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.415 23.516 -4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -9.899 21.841 -3.119 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.988 20.904 -4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.334 23.804 -3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.685 22.496 -2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.022 20.525 -4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.839 21.086 -5.636 1.00 0.00 H new ATOM 675 N LYS A 49 -8.833 23.607 -6.843 1.00 0.00 N ATOM 676 CA LYS A 49 -8.063 23.719 -8.076 1.00 0.00 C ATOM 677 C LYS A 49 -6.744 24.443 -7.830 1.00 0.00 C ATOM 678 O LYS A 49 -6.723 25.649 -7.579 1.00 0.00 O ATOM 679 CB LYS A 49 -8.874 24.460 -9.142 1.00 0.00 C ATOM 680 CG LYS A 49 -9.949 23.606 -9.792 1.00 0.00 C ATOM 681 CD LYS A 49 -9.416 22.870 -11.010 1.00 0.00 C ATOM 682 CE LYS A 49 -10.356 21.755 -11.441 1.00 0.00 C ATOM 683 NZ LYS A 49 -11.576 22.285 -12.110 1.00 0.00 N ATOM 0 H LYS A 49 -8.907 24.475 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.843 22.712 -8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.341 25.334 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.196 24.825 -9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.330 22.885 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.788 24.237 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.282 23.573 -11.832 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.434 22.453 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.833 21.082 -12.120 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.646 21.167 -10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.191 21.494 -12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.089 22.908 -11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.302 22.824 -12.956 1.00 0.00 H new ATOM 697 N THR A 50 -5.643 23.701 -7.906 1.00 0.00 N ATOM 698 CA THR A 50 -4.320 24.273 -7.692 1.00 0.00 C ATOM 699 C THR A 50 -3.470 24.179 -8.954 1.00 0.00 C ATOM 700 O THR A 50 -3.667 23.290 -9.782 1.00 0.00 O ATOM 701 CB THR A 50 -3.584 23.568 -6.537 1.00 0.00 C ATOM 702 OG1 THR A 50 -2.398 24.295 -6.196 1.00 0.00 O ATOM 703 CG2 THR A 50 -3.218 22.142 -6.919 1.00 0.00 C ATOM 0 H THR A 50 -5.642 22.702 -8.114 1.00 0.00 H new ATOM 0 HA THR A 50 -4.467 25.322 -7.433 1.00 0.00 H new ATOM 0 HB THR A 50 -4.251 23.537 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.937 23.841 -5.460 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.699 21.664 -6.088 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.125 21.583 -7.150 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.567 22.155 -7.793 1.00 0.00 H new ATOM 711 N SER A 51 -2.523 25.102 -9.094 1.00 0.00 N ATOM 712 CA SER A 51 -1.644 25.125 -10.257 1.00 0.00 C ATOM 713 C SER A 51 -0.322 24.427 -9.953 1.00 0.00 C ATOM 714 O SER A 51 0.713 24.757 -10.530 1.00 0.00 O ATOM 715 CB SER A 51 -1.383 26.567 -10.697 1.00 0.00 C ATOM 716 OG SER A 51 -0.640 26.605 -11.903 1.00 0.00 O ATOM 0 H SER A 51 -2.345 25.843 -8.416 1.00 0.00 H new ATOM 0 HA SER A 51 -2.140 24.590 -11.067 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.332 27.086 -10.834 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.840 27.097 -9.914 1.00 0.00 H new ATOM 0 HG SER A 51 0.093 25.957 -11.856 1.00 0.00 H new ATOM 722 N GLU A 52 -0.367 23.459 -9.043 1.00 0.00 N ATOM 723 CA GLU A 52 0.828 22.714 -8.661 1.00 0.00 C ATOM 724 C GLU A 52 0.756 21.276 -9.166 1.00 0.00 C ATOM 725 O GLU A 52 -0.326 20.705 -9.296 1.00 0.00 O ATOM 726 CB GLU A 52 0.998 22.725 -7.140 1.00 0.00 C ATOM 727 CG GLU A 52 1.573 24.025 -6.601 1.00 0.00 C ATOM 728 CD GLU A 52 0.965 25.248 -7.260 1.00 0.00 C ATOM 729 OE1 GLU A 52 -0.056 25.752 -6.746 1.00 0.00 O ATOM 730 OE2 GLU A 52 1.511 25.702 -8.287 1.00 0.00 O ATOM 0 H GLU A 52 -1.217 23.172 -8.557 1.00 0.00 H new ATOM 0 HA GLU A 52 1.690 23.199 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.030 22.545 -6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.650 21.901 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.404 24.074 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.652 24.032 -6.755 1.00 0.00 H new ATOM 737 N VAL A 53 1.919 20.696 -9.449 1.00 0.00 N ATOM 738 CA VAL A 53 1.990 19.325 -9.939 1.00 0.00 C ATOM 739 C VAL A 53 2.077 18.333 -8.784 1.00 0.00 C ATOM 740 O VAL A 53 2.245 18.723 -7.629 1.00 0.00 O ATOM 741 CB VAL A 53 3.201 19.123 -10.868 1.00 0.00 C ATOM 742 CG1 VAL A 53 4.491 19.081 -10.063 1.00 0.00 C ATOM 743 CG2 VAL A 53 3.035 17.854 -11.691 1.00 0.00 C ATOM 0 H VAL A 53 2.824 21.155 -9.347 1.00 0.00 H new ATOM 0 HA VAL A 53 1.075 19.142 -10.503 1.00 0.00 H new ATOM 0 HB VAL A 53 3.256 19.969 -11.553 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.336 18.938 -10.737 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.613 20.020 -9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.450 18.256 -9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.900 17.727 -12.342 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.954 16.996 -11.024 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.132 17.929 -12.297 1.00 0.00 H new ATOM 753 N ARG A 54 1.964 17.048 -9.106 1.00 0.00 N ATOM 754 CA ARG A 54 2.029 15.999 -8.095 1.00 0.00 C ATOM 755 C ARG A 54 2.022 14.618 -8.744 1.00 0.00 C ATOM 756 O ARG A 54 1.349 14.397 -9.751 1.00 0.00 O ATOM 757 CB ARG A 54 0.855 16.124 -7.123 1.00 0.00 C ATOM 758 CG ARG A 54 -0.462 16.467 -7.799 1.00 0.00 C ATOM 759 CD ARG A 54 -1.219 15.214 -8.212 1.00 0.00 C ATOM 760 NE ARG A 54 -2.111 14.741 -7.158 1.00 0.00 N ATOM 761 CZ ARG A 54 -3.320 15.245 -6.936 1.00 0.00 C ATOM 762 NH1 ARG A 54 -3.778 16.233 -7.693 1.00 0.00 N ATOM 763 NH2 ARG A 54 -4.073 14.761 -5.957 1.00 0.00 N ATOM 0 H ARG A 54 1.827 16.709 -10.058 1.00 0.00 H new ATOM 0 HA ARG A 54 2.962 16.118 -7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.742 15.185 -6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.086 16.892 -6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.077 17.058 -7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.272 17.084 -8.677 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.799 15.421 -9.112 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.508 14.428 -8.465 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.788 13.981 -6.559 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.202 16.607 -8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.706 16.619 -7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.724 14.001 -5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.001 15.149 -5.788 1.00 0.00 H new ATOM 777 N LEU A 55 2.775 13.693 -8.160 1.00 0.00 N ATOM 778 CA LEU A 55 2.856 12.332 -8.681 1.00 0.00 C ATOM 779 C LEU A 55 2.713 11.310 -7.558 1.00 0.00 C ATOM 780 O LEU A 55 3.337 11.438 -6.505 1.00 0.00 O ATOM 781 CB LEU A 55 4.185 12.123 -9.410 1.00 0.00 C ATOM 782 CG LEU A 55 4.547 10.675 -9.743 1.00 0.00 C ATOM 783 CD1 LEU A 55 4.097 10.323 -11.153 1.00 0.00 C ATOM 784 CD2 LEU A 55 6.043 10.450 -9.588 1.00 0.00 C ATOM 0 H LEU A 55 3.338 13.860 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 55 2.036 12.189 -9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.161 12.693 -10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.982 12.544 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 55 4.027 10.021 -9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.363 9.289 -11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.017 10.444 -11.231 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.589 10.983 -11.867 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.282 9.414 -9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.583 11.114 -10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.338 10.661 -8.560 1.00 0.00 H new ATOM 796 N TYR A 56 1.888 10.295 -7.792 1.00 0.00 N ATOM 797 CA TYR A 56 1.662 9.250 -6.801 1.00 0.00 C ATOM 798 C TYR A 56 2.469 7.999 -7.134 1.00 0.00 C ATOM 799 O TYR A 56 2.370 7.455 -8.235 1.00 0.00 O ATOM 800 CB TYR A 56 0.174 8.905 -6.723 1.00 0.00 C ATOM 801 CG TYR A 56 -0.615 9.828 -5.823 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.434 11.205 -5.877 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.542 9.325 -4.919 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.152 12.053 -5.056 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.266 10.165 -4.095 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.067 11.528 -4.168 1.00 0.00 C ATOM 807 OH TYR A 56 -2.786 12.368 -3.348 1.00 0.00 O ATOM 0 H TYR A 56 1.365 10.174 -8.659 1.00 0.00 H new ATOM 0 HA TYR A 56 1.992 9.626 -5.833 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.251 8.938 -7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.065 7.881 -6.365 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.280 11.619 -6.573 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.700 8.258 -4.859 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.998 13.121 -5.109 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.983 9.757 -3.398 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.387 11.839 -2.784 1.00 0.00 H new ATOM 817 N THR A 57 3.270 7.545 -6.174 1.00 0.00 N ATOM 818 CA THR A 57 4.095 6.359 -6.364 1.00 0.00 C ATOM 819 C THR A 57 3.555 5.180 -5.563 1.00 0.00 C ATOM 820 O THR A 57 2.960 5.358 -4.500 1.00 0.00 O ATOM 821 CB THR A 57 5.556 6.619 -5.951 1.00 0.00 C ATOM 822 OG1 THR A 57 6.005 7.864 -6.498 1.00 0.00 O ATOM 823 CG2 THR A 57 6.461 5.493 -6.428 1.00 0.00 C ATOM 0 H THR A 57 3.364 7.982 -5.257 1.00 0.00 H new ATOM 0 HA THR A 57 4.063 6.118 -7.427 1.00 0.00 H new ATOM 0 HB THR A 57 5.601 6.664 -4.863 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.934 8.023 -6.230 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.488 5.698 -6.125 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.134 4.552 -5.987 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.411 5.421 -7.514 1.00 0.00 H new ATOM 831 N VAL A 58 3.765 3.973 -6.080 1.00 0.00 N ATOM 832 CA VAL A 58 3.301 2.764 -5.411 1.00 0.00 C ATOM 833 C VAL A 58 4.427 1.746 -5.271 1.00 0.00 C ATOM 834 O VAL A 58 5.085 1.394 -6.251 1.00 0.00 O ATOM 835 CB VAL A 58 2.130 2.115 -6.174 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.467 1.043 -5.323 1.00 0.00 C ATOM 837 CG2 VAL A 58 1.121 3.171 -6.597 1.00 0.00 C ATOM 0 H VAL A 58 4.253 3.807 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 58 2.960 3.062 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 58 2.523 1.640 -7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.642 0.596 -5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.197 0.273 -5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.086 1.491 -4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.301 2.696 -7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.731 3.676 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.607 3.899 -7.247 1.00 0.00 H new ATOM 847 N ARG A 59 4.645 1.277 -4.047 1.00 0.00 N ATOM 848 CA ARG A 59 5.693 0.300 -3.778 1.00 0.00 C ATOM 849 C ARG A 59 5.127 -0.921 -3.058 1.00 0.00 C ATOM 850 O ARG A 59 4.179 -0.810 -2.281 1.00 0.00 O ATOM 851 CB ARG A 59 6.805 0.931 -2.938 1.00 0.00 C ATOM 852 CG ARG A 59 6.379 1.267 -1.519 1.00 0.00 C ATOM 853 CD ARG A 59 7.581 1.450 -0.605 1.00 0.00 C ATOM 854 NE ARG A 59 8.581 2.340 -1.188 1.00 0.00 N ATOM 855 CZ ARG A 59 9.869 2.313 -0.862 1.00 0.00 C ATOM 856 NH1 ARG A 59 10.309 1.444 0.038 1.00 0.00 N ATOM 857 NH2 ARG A 59 10.718 3.155 -1.437 1.00 0.00 N ATOM 0 H ARG A 59 4.110 1.558 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 59 6.107 -0.023 -4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.654 0.248 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.149 1.841 -3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.782 2.179 -1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.743 0.471 -1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.251 1.854 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.034 0.479 -0.403 1.00 0.00 H new ATOM 0 HE ARG A 59 8.274 3.020 -1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.659 0.795 0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.298 1.424 0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.382 3.824 -2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.706 3.133 -1.186 1.00 0.00 H new ATOM 871 N TRP A 60 5.714 -2.082 -3.323 1.00 0.00 N ATOM 872 CA TRP A 60 5.267 -3.323 -2.700 1.00 0.00 C ATOM 873 C TRP A 60 6.376 -4.370 -2.716 1.00 0.00 C ATOM 874 O TRP A 60 7.166 -4.437 -3.658 1.00 0.00 O ATOM 875 CB TRP A 60 4.030 -3.863 -3.420 1.00 0.00 C ATOM 876 CG TRP A 60 4.264 -4.144 -4.873 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.620 -5.340 -5.430 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.160 -3.211 -5.955 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.744 -5.206 -6.792 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.466 -3.910 -7.139 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.836 -1.854 -6.038 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.459 -3.296 -8.388 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.830 -1.246 -7.279 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.138 -1.967 -8.440 1.00 0.00 C ATOM 0 H TRP A 60 6.500 -2.191 -3.964 1.00 0.00 H new ATOM 0 HA TRP A 60 5.010 -3.107 -1.663 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.703 -4.779 -2.928 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.218 -3.142 -3.323 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.780 -6.256 -4.881 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.001 -5.951 -7.440 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.595 -1.291 -5.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.698 -3.849 -9.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.584 -0.197 -7.355 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.122 -1.464 -9.395 1.00 0.00 H new ATOM 895 N ARG A 61 6.430 -5.184 -1.667 1.00 0.00 N ATOM 896 CA ARG A 61 7.443 -6.227 -1.560 1.00 0.00 C ATOM 897 C ARG A 61 6.914 -7.422 -0.773 1.00 0.00 C ATOM 898 O ARG A 61 6.003 -7.286 0.045 1.00 0.00 O ATOM 899 CB ARG A 61 8.702 -5.677 -0.888 1.00 0.00 C ATOM 900 CG ARG A 61 8.471 -5.194 0.535 1.00 0.00 C ATOM 901 CD ARG A 61 8.705 -6.305 1.546 1.00 0.00 C ATOM 902 NE ARG A 61 8.364 -5.891 2.904 1.00 0.00 N ATOM 903 CZ ARG A 61 7.137 -5.959 3.407 1.00 0.00 C ATOM 904 NH1 ARG A 61 6.139 -6.423 2.668 1.00 0.00 N ATOM 905 NH2 ARG A 61 6.906 -5.562 4.652 1.00 0.00 N ATOM 0 H ARG A 61 5.784 -5.141 -0.879 1.00 0.00 H new ATOM 0 HA ARG A 61 7.693 -6.560 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.468 -6.453 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.091 -4.852 -1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.138 -4.359 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.452 -4.821 0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.109 -7.176 1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.751 -6.611 1.512 1.00 0.00 H new ATOM 0 HE ARG A 61 9.109 -5.530 3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.313 -6.729 1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.197 -6.474 3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.671 -5.204 5.223 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.963 -5.615 5.037 1.00 0.00 H new ATOM 919 N THR A 62 7.489 -8.593 -1.026 1.00 0.00 N ATOM 920 CA THR A 62 7.075 -9.812 -0.343 1.00 0.00 C ATOM 921 C THR A 62 7.016 -9.604 1.166 1.00 0.00 C ATOM 922 O THR A 62 8.023 -9.282 1.797 1.00 0.00 O ATOM 923 CB THR A 62 8.029 -10.981 -0.652 1.00 0.00 C ATOM 924 OG1 THR A 62 9.349 -10.484 -0.897 1.00 0.00 O ATOM 925 CG2 THR A 62 7.545 -11.770 -1.860 1.00 0.00 C ATOM 0 H THR A 62 8.244 -8.723 -1.700 1.00 0.00 H new ATOM 0 HA THR A 62 6.079 -10.058 -0.712 1.00 0.00 H new ATOM 0 HB THR A 62 8.046 -11.645 0.212 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.911 -11.207 -1.245 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.235 -12.590 -2.059 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.552 -12.172 -1.658 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.501 -11.114 -2.729 1.00 0.00 H new ATOM 933 N SER A 63 5.831 -9.791 1.739 1.00 0.00 N ATOM 934 CA SER A 63 5.641 -9.620 3.175 1.00 0.00 C ATOM 935 C SER A 63 6.241 -10.792 3.945 1.00 0.00 C ATOM 936 O SER A 63 5.830 -11.940 3.771 1.00 0.00 O ATOM 937 CB SER A 63 4.152 -9.489 3.501 1.00 0.00 C ATOM 938 OG SER A 63 3.957 -9.154 4.864 1.00 0.00 O ATOM 0 H SER A 63 4.989 -10.061 1.231 1.00 0.00 H new ATOM 0 HA SER A 63 6.154 -8.708 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.703 -8.724 2.867 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.643 -10.427 3.277 1.00 0.00 H new ATOM 0 HG SER A 63 3.756 -9.966 5.375 1.00 0.00 H new ATOM 944 N PHE A 64 7.216 -10.495 4.798 1.00 0.00 N ATOM 945 CA PHE A 64 7.875 -11.523 5.595 1.00 0.00 C ATOM 946 C PHE A 64 8.780 -12.390 4.724 1.00 0.00 C ATOM 947 O PHE A 64 8.717 -13.618 4.774 1.00 0.00 O ATOM 948 CB PHE A 64 6.834 -12.398 6.297 1.00 0.00 C ATOM 949 CG PHE A 64 5.705 -11.616 6.904 1.00 0.00 C ATOM 950 CD1 PHE A 64 5.918 -10.812 8.012 1.00 0.00 C ATOM 951 CD2 PHE A 64 4.430 -11.684 6.366 1.00 0.00 C ATOM 952 CE1 PHE A 64 4.880 -10.092 8.573 1.00 0.00 C ATOM 953 CE2 PHE A 64 3.388 -10.966 6.923 1.00 0.00 C ATOM 954 CZ PHE A 64 3.614 -10.168 8.027 1.00 0.00 C ATOM 0 H PHE A 64 7.567 -9.550 4.955 1.00 0.00 H new ATOM 0 HA PHE A 64 8.490 -11.027 6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.427 -13.111 5.580 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.326 -12.977 7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.906 -10.747 8.442 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.248 -12.305 5.501 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.059 -9.470 9.438 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.398 -11.029 6.495 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.802 -9.604 8.463 1.00 0.00 H new ATOM 964 N SER A 65 9.622 -11.740 3.927 1.00 0.00 N ATOM 965 CA SER A 65 10.538 -12.450 3.041 1.00 0.00 C ATOM 966 C SER A 65 11.962 -11.927 3.201 1.00 0.00 C ATOM 967 O SER A 65 12.218 -10.734 3.045 1.00 0.00 O ATOM 968 CB SER A 65 10.089 -12.305 1.586 1.00 0.00 C ATOM 969 OG SER A 65 11.068 -12.815 0.697 1.00 0.00 O ATOM 0 H SER A 65 9.689 -10.723 3.876 1.00 0.00 H new ATOM 0 HA SER A 65 10.524 -13.505 3.314 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.148 -12.834 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.902 -11.255 1.363 1.00 0.00 H new ATOM 0 HG SER A 65 10.757 -12.712 -0.227 1.00 0.00 H new ATOM 975 N ALA A 66 12.886 -12.830 3.513 1.00 0.00 N ATOM 976 CA ALA A 66 14.285 -12.462 3.692 1.00 0.00 C ATOM 977 C ALA A 66 14.790 -11.636 2.514 1.00 0.00 C ATOM 978 O ALA A 66 15.054 -10.441 2.649 1.00 0.00 O ATOM 979 CB ALA A 66 15.140 -13.708 3.870 1.00 0.00 C ATOM 0 H ALA A 66 12.691 -13.822 3.647 1.00 0.00 H new ATOM 0 HA ALA A 66 14.362 -11.850 4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 66 16.182 -13.418 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.802 -14.259 4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.049 -14.341 2.987 1.00 0.00 H new ATOM 985 N SER A 67 14.922 -12.280 1.359 1.00 0.00 N ATOM 986 CA SER A 67 15.400 -11.606 0.157 1.00 0.00 C ATOM 987 C SER A 67 14.243 -10.968 -0.605 1.00 0.00 C ATOM 988 O SER A 67 13.818 -11.471 -1.645 1.00 0.00 O ATOM 989 CB SER A 67 16.139 -12.593 -0.748 1.00 0.00 C ATOM 990 OG SER A 67 16.933 -11.912 -1.704 1.00 0.00 O ATOM 0 H SER A 67 14.705 -13.268 1.230 1.00 0.00 H new ATOM 0 HA SER A 67 16.089 -10.819 0.462 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.771 -13.243 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.419 -13.233 -1.258 1.00 0.00 H new ATOM 0 HG SER A 67 17.396 -12.565 -2.269 1.00 0.00 H new ATOM 996 N ALA A 68 13.737 -9.857 -0.079 1.00 0.00 N ATOM 997 CA ALA A 68 12.630 -9.149 -0.709 1.00 0.00 C ATOM 998 C ALA A 68 13.103 -7.847 -1.346 1.00 0.00 C ATOM 999 O ALA A 68 14.051 -7.220 -0.871 1.00 0.00 O ATOM 1000 CB ALA A 68 11.532 -8.873 0.307 1.00 0.00 C ATOM 0 H ALA A 68 14.076 -9.428 0.782 1.00 0.00 H new ATOM 0 HA ALA A 68 12.228 -9.784 -1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.712 -8.344 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.166 -9.816 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.930 -8.261 1.116 1.00 0.00 H new ATOM 1006 N LYS A 69 12.438 -7.444 -2.423 1.00 0.00 N ATOM 1007 CA LYS A 69 12.790 -6.216 -3.126 1.00 0.00 C ATOM 1008 C LYS A 69 11.603 -5.258 -3.175 1.00 0.00 C ATOM 1009 O LYS A 69 10.476 -5.665 -3.460 1.00 0.00 O ATOM 1010 CB LYS A 69 13.261 -6.533 -4.546 1.00 0.00 C ATOM 1011 CG LYS A 69 12.142 -6.972 -5.475 1.00 0.00 C ATOM 1012 CD LYS A 69 11.527 -5.789 -6.204 1.00 0.00 C ATOM 1013 CE LYS A 69 10.312 -6.206 -7.018 1.00 0.00 C ATOM 1014 NZ LYS A 69 10.688 -7.061 -8.178 1.00 0.00 N ATOM 0 H LYS A 69 11.651 -7.951 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 69 13.601 -5.735 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.744 -5.650 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.015 -7.319 -4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.530 -7.687 -6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.372 -7.487 -4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.238 -5.026 -5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.270 -5.340 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.615 -6.748 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.792 -5.317 -7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.834 -7.310 -8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.347 -6.542 -8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.146 -7.929 -7.835 1.00 0.00 H new ATOM 1028 N TYR A 70 11.864 -3.986 -2.896 1.00 0.00 N ATOM 1029 CA TYR A 70 10.817 -2.971 -2.908 1.00 0.00 C ATOM 1030 C TYR A 70 10.619 -2.409 -4.312 1.00 0.00 C ATOM 1031 O TYR A 70 11.536 -1.833 -4.899 1.00 0.00 O ATOM 1032 CB TYR A 70 11.162 -1.840 -1.938 1.00 0.00 C ATOM 1033 CG TYR A 70 10.568 -2.023 -0.559 1.00 0.00 C ATOM 1034 CD1 TYR A 70 9.247 -1.681 -0.300 1.00 0.00 C ATOM 1035 CD2 TYR A 70 11.329 -2.535 0.484 1.00 0.00 C ATOM 1036 CE1 TYR A 70 8.700 -1.845 0.958 1.00 0.00 C ATOM 1037 CE2 TYR A 70 10.789 -2.704 1.745 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.475 -2.357 1.977 1.00 0.00 C ATOM 1039 OH TYR A 70 8.935 -2.523 3.231 1.00 0.00 O ATOM 0 H TYR A 70 12.791 -3.633 -2.659 1.00 0.00 H new ATOM 0 HA TYR A 70 9.887 -3.442 -2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.246 -1.765 -1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.810 -0.896 -2.354 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.637 -1.280 -1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.359 -2.805 0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.671 -1.574 1.142 1.00 0.00 H new ATOM 0 HE2 TYR A 70 11.393 -3.106 2.545 1.00 0.00 H new ATOM 0 HH TYR A 70 9.613 -2.895 3.833 1.00 0.00 H new ATOM 1049 N LYS A 71 9.414 -2.578 -4.846 1.00 0.00 N ATOM 1050 CA LYS A 71 9.092 -2.087 -6.181 1.00 0.00 C ATOM 1051 C LYS A 71 8.587 -0.649 -6.123 1.00 0.00 C ATOM 1052 O LYS A 71 8.277 -0.132 -5.050 1.00 0.00 O ATOM 1053 CB LYS A 71 8.038 -2.983 -6.836 1.00 0.00 C ATOM 1054 CG LYS A 71 8.127 -3.017 -8.352 1.00 0.00 C ATOM 1055 CD LYS A 71 7.657 -4.351 -8.908 1.00 0.00 C ATOM 1056 CE LYS A 71 8.141 -4.562 -10.334 1.00 0.00 C ATOM 1057 NZ LYS A 71 9.528 -5.102 -10.375 1.00 0.00 N ATOM 0 H LYS A 71 8.644 -3.052 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 71 10.002 -2.111 -6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.145 -3.997 -6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.046 -2.635 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.522 -2.213 -8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.156 -2.835 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.023 -5.159 -8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.568 -4.394 -8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.469 -5.249 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.104 -3.616 -10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.968 -4.860 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.085 -4.688 -9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.501 -6.136 -10.268 1.00 0.00 H new ATOM 1071 N SER A 72 8.505 -0.009 -7.286 1.00 0.00 N ATOM 1072 CA SER A 72 8.039 1.371 -7.367 1.00 0.00 C ATOM 1073 C SER A 72 7.500 1.681 -8.760 1.00 0.00 C ATOM 1074 O SER A 72 8.172 1.444 -9.764 1.00 0.00 O ATOM 1075 CB SER A 72 9.175 2.336 -7.021 1.00 0.00 C ATOM 1076 OG SER A 72 10.283 2.150 -7.885 1.00 0.00 O ATOM 0 H SER A 72 8.755 -0.424 -8.184 1.00 0.00 H new ATOM 0 HA SER A 72 7.231 1.499 -6.647 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.819 3.364 -7.097 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.486 2.182 -5.988 1.00 0.00 H new ATOM 0 HG SER A 72 9.973 1.786 -8.741 1.00 0.00 H new ATOM 1082 N GLU A 73 6.282 2.211 -8.812 1.00 0.00 N ATOM 1083 CA GLU A 73 5.652 2.553 -10.082 1.00 0.00 C ATOM 1084 C GLU A 73 5.058 3.957 -10.034 1.00 0.00 C ATOM 1085 O GLU A 73 4.678 4.446 -8.970 1.00 0.00 O ATOM 1086 CB GLU A 73 4.560 1.537 -10.424 1.00 0.00 C ATOM 1087 CG GLU A 73 5.071 0.332 -11.197 1.00 0.00 C ATOM 1088 CD GLU A 73 6.065 0.711 -12.278 1.00 0.00 C ATOM 1089 OE1 GLU A 73 5.679 1.455 -13.204 1.00 0.00 O ATOM 1090 OE2 GLU A 73 7.228 0.264 -12.198 1.00 0.00 O ATOM 0 H GLU A 73 5.712 2.413 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 73 6.418 2.528 -10.857 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.092 1.194 -9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.785 2.032 -11.010 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.541 -0.366 -10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.227 -0.188 -11.651 1.00 0.00 H new ATOM 1097 N ASP A 74 4.981 4.601 -11.194 1.00 0.00 N ATOM 1098 CA ASP A 74 4.433 5.949 -11.285 1.00 0.00 C ATOM 1099 C ASP A 74 3.041 5.928 -11.909 1.00 0.00 C ATOM 1100 O ASP A 74 2.840 5.371 -12.988 1.00 0.00 O ATOM 1101 CB ASP A 74 5.361 6.845 -12.108 1.00 0.00 C ATOM 1102 CG ASP A 74 5.285 6.548 -13.593 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.411 5.364 -13.968 1.00 0.00 O ATOM 1104 OD2 ASP A 74 5.100 7.500 -14.379 1.00 0.00 O ATOM 0 H ASP A 74 5.291 4.211 -12.084 1.00 0.00 H new ATOM 0 HA ASP A 74 4.353 6.352 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.100 7.889 -11.935 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.387 6.712 -11.766 1.00 0.00 H new ATOM 1109 N THR A 75 2.081 6.540 -11.221 1.00 0.00 N ATOM 1110 CA THR A 75 0.708 6.590 -11.706 1.00 0.00 C ATOM 1111 C THR A 75 0.031 7.896 -11.307 1.00 0.00 C ATOM 1112 O THR A 75 0.023 8.271 -10.134 1.00 0.00 O ATOM 1113 CB THR A 75 -0.122 5.409 -11.166 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.419 5.404 -11.773 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.264 5.495 -9.654 1.00 0.00 C ATOM 0 H THR A 75 2.230 7.007 -10.327 1.00 0.00 H new ATOM 0 HA THR A 75 0.754 6.525 -12.793 1.00 0.00 H new ATOM 0 HB THR A 75 0.398 4.484 -11.414 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.940 4.650 -11.426 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.853 4.651 -9.295 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.724 5.469 -9.194 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.764 6.426 -9.388 1.00 0.00 H new ATOM 1123 N THR A 76 -0.538 8.587 -12.290 1.00 0.00 N ATOM 1124 CA THR A 76 -1.217 9.853 -12.041 1.00 0.00 C ATOM 1125 C THR A 76 -2.666 9.626 -11.626 1.00 0.00 C ATOM 1126 O THR A 76 -3.516 10.499 -11.803 1.00 0.00 O ATOM 1127 CB THR A 76 -1.187 10.761 -13.285 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.573 10.015 -14.445 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.201 11.348 -13.492 1.00 0.00 C ATOM 0 H THR A 76 -0.542 8.291 -13.266 1.00 0.00 H new ATOM 0 HA THR A 76 -0.682 10.345 -11.229 1.00 0.00 H new ATOM 0 HB THR A 76 -1.891 11.579 -13.129 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.553 10.599 -15.231 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.198 11.986 -14.376 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.480 11.939 -12.619 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.921 10.541 -13.629 1.00 0.00 H new ATOM 1137 N SER A 77 -2.942 8.450 -11.072 1.00 0.00 N ATOM 1138 CA SER A 77 -4.290 8.108 -10.634 1.00 0.00 C ATOM 1139 C SER A 77 -4.289 7.651 -9.179 1.00 0.00 C ATOM 1140 O SER A 77 -3.231 7.444 -8.581 1.00 0.00 O ATOM 1141 CB SER A 77 -4.875 7.010 -11.525 1.00 0.00 C ATOM 1142 OG SER A 77 -5.135 7.497 -12.830 1.00 0.00 O ATOM 0 H SER A 77 -2.250 7.718 -10.916 1.00 0.00 H new ATOM 0 HA SER A 77 -4.910 9.001 -10.715 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.180 6.172 -11.578 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.797 6.632 -11.084 1.00 0.00 H new ATOM 0 HG SER A 77 -5.507 6.776 -13.380 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.481 7.495 -8.613 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.619 7.062 -7.227 1.00 0.00 C ATOM 1150 C LEU A 78 -5.841 5.555 -7.147 1.00 0.00 C ATOM 1151 O LEU A 78 -6.399 5.051 -6.172 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.782 7.797 -6.557 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.711 9.324 -6.576 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.046 9.926 -6.165 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.598 9.818 -5.663 1.00 0.00 C ATOM 0 H LEU A 78 -6.366 7.662 -9.093 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.694 7.302 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.708 7.490 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.843 7.469 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.489 9.645 -7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.976 11.014 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.821 9.600 -6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.299 9.597 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.562 10.907 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.790 9.486 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.644 9.415 -6.002 1.00 0.00 H new ATOM 1167 N SER A 79 -5.399 4.841 -8.177 1.00 0.00 N ATOM 1168 CA SER A 79 -5.551 3.392 -8.224 1.00 0.00 C ATOM 1169 C SER A 79 -4.516 2.767 -9.155 1.00 0.00 C ATOM 1170 O SER A 79 -4.351 3.198 -10.296 1.00 0.00 O ATOM 1171 CB SER A 79 -6.961 3.020 -8.687 1.00 0.00 C ATOM 1172 OG SER A 79 -7.273 3.643 -9.921 1.00 0.00 O ATOM 0 H SER A 79 -4.933 5.243 -8.990 1.00 0.00 H new ATOM 0 HA SER A 79 -5.392 3.002 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.039 1.938 -8.792 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.687 3.320 -7.931 1.00 0.00 H new ATOM 0 HG SER A 79 -6.475 3.662 -10.489 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.821 1.749 -8.659 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.800 1.066 -9.444 1.00 0.00 C ATOM 1180 C TYR A 80 -3.027 -0.443 -9.437 1.00 0.00 C ATOM 1181 O TYR A 80 -3.465 -1.013 -8.437 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.408 1.386 -8.898 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.309 0.549 -9.513 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.354 0.971 -10.659 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.066 -0.664 -8.948 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.358 0.209 -11.225 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.069 -1.431 -9.506 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.712 -0.991 -10.644 1.00 0.00 C ATOM 1189 OH TYR A 80 2.712 -1.753 -11.204 1.00 0.00 O ATOM 0 H TYR A 80 -3.946 1.379 -7.717 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.870 1.421 -10.472 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.192 2.440 -9.073 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.407 1.235 -7.818 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.080 1.911 -11.115 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.436 -1.012 -8.057 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.862 0.551 -12.117 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.349 -2.371 -9.054 1.00 0.00 H new ATOM 0 HH TYR A 80 3.156 -2.276 -10.504 1.00 0.00 H new ATOM 1199 N THR A 81 -2.724 -1.086 -10.560 1.00 0.00 N ATOM 1200 CA THR A 81 -2.894 -2.528 -10.686 1.00 0.00 C ATOM 1201 C THR A 81 -1.551 -3.247 -10.628 1.00 0.00 C ATOM 1202 O THR A 81 -0.736 -3.134 -11.543 1.00 0.00 O ATOM 1203 CB THR A 81 -3.606 -2.897 -12.001 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.677 -1.981 -12.253 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.149 -4.317 -11.942 1.00 0.00 C ATOM 0 H THR A 81 -2.359 -0.630 -11.396 1.00 0.00 H new ATOM 0 HA THR A 81 -3.511 -2.848 -9.846 1.00 0.00 H new ATOM 0 HB THR A 81 -2.879 -2.836 -12.811 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.123 -2.222 -13.092 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.648 -4.555 -12.882 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.327 -5.014 -11.780 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.862 -4.400 -11.122 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.328 -3.987 -9.547 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.084 -4.727 -9.372 1.00 0.00 C ATOM 1215 C ALA A 82 -0.122 -6.051 -10.127 1.00 0.00 C ATOM 1216 O ALA A 82 -0.729 -7.021 -9.672 1.00 0.00 O ATOM 1217 CB ALA A 82 0.182 -4.968 -7.893 1.00 0.00 C ATOM 0 H ALA A 82 -1.992 -4.090 -8.780 1.00 0.00 H new ATOM 0 HA ALA A 82 0.728 -4.128 -9.784 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.114 -5.521 -7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.261 -4.011 -7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.638 -5.544 -7.465 1.00 0.00 H new ATOM 1223 N THR A 83 0.530 -6.085 -11.285 1.00 0.00 N ATOM 1224 CA THR A 83 0.569 -7.289 -12.105 1.00 0.00 C ATOM 1225 C THR A 83 1.916 -7.992 -11.986 1.00 0.00 C ATOM 1226 O THR A 83 2.927 -7.368 -11.667 1.00 0.00 O ATOM 1227 CB THR A 83 0.300 -6.969 -13.588 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.400 -6.237 -14.138 1.00 0.00 O ATOM 1229 CG2 THR A 83 -0.981 -6.162 -13.743 1.00 0.00 C ATOM 0 H THR A 83 1.038 -5.292 -11.676 1.00 0.00 H new ATOM 0 HA THR A 83 -0.216 -7.948 -11.735 1.00 0.00 H new ATOM 0 HB THR A 83 0.185 -7.910 -14.126 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.222 -6.039 -15.081 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.151 -5.948 -14.798 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.821 -6.734 -13.349 1.00 0.00 H new ATOM 0 HG23 THR A 83 -0.890 -5.226 -13.193 1.00 0.00 H new ATOM 1237 N GLY A 84 1.924 -9.296 -12.245 1.00 0.00 N ATOM 1238 CA GLY A 84 3.153 -10.062 -12.162 1.00 0.00 C ATOM 1239 C GLY A 84 3.576 -10.326 -10.730 1.00 0.00 C ATOM 1240 O GLY A 84 4.721 -10.067 -10.355 1.00 0.00 O ATOM 0 H GLY A 84 1.100 -9.836 -12.511 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.021 -11.012 -12.680 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.948 -9.525 -12.679 1.00 0.00 H new ATOM 1244 N LEU A 85 2.652 -10.839 -9.927 1.00 0.00 N ATOM 1245 CA LEU A 85 2.934 -11.136 -8.527 1.00 0.00 C ATOM 1246 C LEU A 85 2.967 -12.642 -8.285 1.00 0.00 C ATOM 1247 O LEU A 85 2.850 -13.435 -9.220 1.00 0.00 O ATOM 1248 CB LEU A 85 1.883 -10.487 -7.625 1.00 0.00 C ATOM 1249 CG LEU A 85 1.279 -9.177 -8.133 1.00 0.00 C ATOM 1250 CD1 LEU A 85 -0.111 -8.969 -7.553 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.184 -8.003 -7.788 1.00 0.00 C ATOM 0 H LEU A 85 1.700 -11.058 -10.221 1.00 0.00 H new ATOM 0 HA LEU A 85 3.915 -10.726 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.074 -11.201 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.334 -10.302 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 85 1.192 -9.237 -9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.524 -8.032 -7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.757 -9.795 -7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.049 -8.931 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.738 -7.079 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.303 -7.941 -6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.159 -8.146 -8.253 1.00 0.00 H new ATOM 1263 N LYS A 86 3.124 -13.031 -7.024 1.00 0.00 N ATOM 1264 CA LYS A 86 3.169 -14.441 -6.658 1.00 0.00 C ATOM 1265 C LYS A 86 1.826 -14.901 -6.098 1.00 0.00 C ATOM 1266 O LYS A 86 1.211 -14.231 -5.268 1.00 0.00 O ATOM 1267 CB LYS A 86 4.274 -14.687 -5.628 1.00 0.00 C ATOM 1268 CG LYS A 86 4.758 -16.126 -5.587 1.00 0.00 C ATOM 1269 CD LYS A 86 6.107 -16.242 -4.898 1.00 0.00 C ATOM 1270 CE LYS A 86 5.951 -16.420 -3.395 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.191 -16.959 -2.769 1.00 0.00 N ATOM 0 H LYS A 86 3.222 -12.388 -6.238 1.00 0.00 H new ATOM 0 HA LYS A 86 3.385 -15.017 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.118 -14.035 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.907 -14.408 -4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.027 -16.742 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.833 -16.515 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.656 -17.088 -5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.698 -15.349 -5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.701 -15.462 -2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.119 -17.095 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.045 -17.066 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.416 -17.885 -3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.979 -16.303 -2.939 1.00 0.00 H new ATOM 1285 N PRO A 87 1.361 -16.071 -6.560 1.00 0.00 N ATOM 1286 CA PRO A 87 0.088 -16.647 -6.117 1.00 0.00 C ATOM 1287 C PRO A 87 0.141 -17.127 -4.670 1.00 0.00 C ATOM 1288 O PRO A 87 1.189 -17.551 -4.185 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.116 -17.830 -7.066 1.00 0.00 C ATOM 1290 CG PRO A 87 1.258 -18.205 -7.504 1.00 0.00 C ATOM 1291 CD PRO A 87 2.042 -16.922 -7.549 1.00 0.00 C ATOM 0 HA PRO A 87 -0.721 -15.917 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.612 -18.660 -6.563 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.741 -17.553 -7.915 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.709 -18.914 -6.810 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.238 -18.685 -8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.089 -17.081 -7.289 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.025 -16.475 -8.543 1.00 0.00 H new ATOM 1299 N ASN A 88 -0.997 -17.057 -3.986 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.079 -17.484 -2.594 1.00 0.00 C ATOM 1301 C ASN A 88 -0.060 -16.742 -1.736 1.00 0.00 C ATOM 1302 O ASN A 88 0.394 -17.251 -0.711 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.850 -18.993 -2.488 1.00 0.00 C ATOM 1304 CG ASN A 88 -1.586 -19.609 -1.314 1.00 0.00 C ATOM 1305 OD1 ASN A 88 -0.979 -19.968 -0.305 1.00 0.00 O ATOM 1306 ND2 ASN A 88 -2.903 -19.733 -1.441 1.00 0.00 N ATOM 0 H ASN A 88 -1.874 -16.709 -4.373 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.077 -17.248 -2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.177 -19.473 -3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.217 -19.189 -2.388 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.452 -20.139 -0.684 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.364 -19.422 -2.296 1.00 0.00 H new ATOM 1313 N THR A 89 0.297 -15.534 -2.162 1.00 0.00 N ATOM 1314 CA THR A 89 1.263 -14.722 -1.433 1.00 0.00 C ATOM 1315 C THR A 89 0.757 -13.295 -1.254 1.00 0.00 C ATOM 1316 O THR A 89 0.211 -12.699 -2.182 1.00 0.00 O ATOM 1317 CB THR A 89 2.624 -14.685 -2.155 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.998 -16.006 -2.563 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.700 -14.104 -1.251 1.00 0.00 C ATOM 0 H THR A 89 -0.069 -15.097 -3.008 1.00 0.00 H new ATOM 0 HA THR A 89 1.391 -15.185 -0.455 1.00 0.00 H new ATOM 0 HB THR A 89 2.527 -14.048 -3.034 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.360 -16.336 -3.230 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.652 -14.088 -1.782 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.426 -13.088 -0.966 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.794 -14.719 -0.356 1.00 0.00 H new ATOM 1327 N MET A 90 0.944 -12.752 -0.055 1.00 0.00 N ATOM 1328 CA MET A 90 0.507 -11.394 0.244 1.00 0.00 C ATOM 1329 C MET A 90 1.703 -10.459 0.394 1.00 0.00 C ATOM 1330 O MET A 90 2.795 -10.888 0.768 1.00 0.00 O ATOM 1331 CB MET A 90 -0.333 -11.375 1.523 1.00 0.00 C ATOM 1332 CG MET A 90 -0.670 -9.975 2.008 1.00 0.00 C ATOM 1333 SD MET A 90 -1.615 -9.981 3.544 1.00 0.00 S ATOM 1334 CE MET A 90 -0.385 -10.584 4.697 1.00 0.00 C ATOM 0 H MET A 90 1.395 -13.232 0.724 1.00 0.00 H new ATOM 0 HA MET A 90 -0.104 -11.044 -0.588 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.259 -11.923 1.348 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.206 -11.903 2.310 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.253 -9.414 2.156 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.239 -9.455 1.238 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.703 -10.364 5.716 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.271 -11.661 4.577 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.569 -10.094 4.501 1.00 0.00 H new ATOM 1344 N TYR A 91 1.490 -9.181 0.100 1.00 0.00 N ATOM 1345 CA TYR A 91 2.552 -8.187 0.200 1.00 0.00 C ATOM 1346 C TYR A 91 2.032 -6.894 0.822 1.00 0.00 C ATOM 1347 O TYR A 91 0.832 -6.744 1.053 1.00 0.00 O ATOM 1348 CB TYR A 91 3.142 -7.900 -1.181 1.00 0.00 C ATOM 1349 CG TYR A 91 2.857 -8.982 -2.198 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.309 -10.281 -2.005 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.136 -8.704 -3.353 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.051 -11.273 -2.931 1.00 0.00 C ATOM 1353 CE2 TYR A 91 1.872 -9.690 -4.285 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.332 -10.972 -4.069 1.00 0.00 C ATOM 1355 OH TYR A 91 2.073 -11.957 -4.995 1.00 0.00 O ATOM 0 H TYR A 91 0.592 -8.809 -0.209 1.00 0.00 H new ATOM 0 HA TYR A 91 3.333 -8.591 0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.743 -6.954 -1.548 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.221 -7.776 -1.087 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.872 -10.520 -1.115 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.776 -7.701 -3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.410 -12.278 -2.765 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.309 -9.458 -5.177 1.00 0.00 H new ATOM 0 HH TYR A 91 1.612 -12.703 -4.558 1.00 0.00 H new ATOM 1365 N GLU A 92 2.943 -5.965 1.089 1.00 0.00 N ATOM 1366 CA GLU A 92 2.577 -4.685 1.683 1.00 0.00 C ATOM 1367 C GLU A 92 2.545 -3.583 0.628 1.00 0.00 C ATOM 1368 O GLU A 92 3.523 -3.366 -0.088 1.00 0.00 O ATOM 1369 CB GLU A 92 3.560 -4.313 2.795 1.00 0.00 C ATOM 1370 CG GLU A 92 3.753 -2.815 2.962 1.00 0.00 C ATOM 1371 CD GLU A 92 4.214 -2.438 4.356 1.00 0.00 C ATOM 1372 OE1 GLU A 92 4.037 -3.259 5.281 1.00 0.00 O ATOM 1373 OE2 GLU A 92 4.750 -1.323 4.523 1.00 0.00 O ATOM 0 H GLU A 92 3.940 -6.074 0.904 1.00 0.00 H new ATOM 0 HA GLU A 92 1.579 -4.785 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.206 -4.732 3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.525 -4.774 2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.484 -2.463 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.815 -2.305 2.743 1.00 0.00 H new ATOM 1380 N PHE A 93 1.415 -2.891 0.537 1.00 0.00 N ATOM 1381 CA PHE A 93 1.254 -1.813 -0.432 1.00 0.00 C ATOM 1382 C PHE A 93 1.165 -0.460 0.269 1.00 0.00 C ATOM 1383 O PHE A 93 0.656 -0.360 1.386 1.00 0.00 O ATOM 1384 CB PHE A 93 0.002 -2.044 -1.281 1.00 0.00 C ATOM 1385 CG PHE A 93 0.086 -3.263 -2.154 1.00 0.00 C ATOM 1386 CD1 PHE A 93 0.111 -4.531 -1.596 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.140 -3.141 -3.533 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.189 -5.654 -2.397 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.218 -4.261 -4.340 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.242 -5.519 -3.771 1.00 0.00 C ATOM 0 H PHE A 93 0.597 -3.057 1.123 1.00 0.00 H new ATOM 0 HA PHE A 93 2.129 -1.809 -1.082 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.862 -2.137 -0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.168 -1.169 -1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.069 -4.643 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.121 -2.159 -3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.209 -6.637 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.260 -4.152 -5.414 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.302 -6.396 -4.399 1.00 0.00 H new ATOM 1400 N SER A 94 1.663 0.577 -0.395 1.00 0.00 N ATOM 1401 CA SER A 94 1.645 1.924 0.166 1.00 0.00 C ATOM 1402 C SER A 94 1.657 2.973 -0.942 1.00 0.00 C ATOM 1403 O SER A 94 2.217 2.753 -2.016 1.00 0.00 O ATOM 1404 CB SER A 94 2.844 2.130 1.093 1.00 0.00 C ATOM 1405 OG SER A 94 2.532 3.037 2.136 1.00 0.00 O ATOM 0 H SER A 94 2.084 0.512 -1.322 1.00 0.00 H new ATOM 0 HA SER A 94 0.727 2.039 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.148 1.173 1.518 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.691 2.508 0.519 1.00 0.00 H new ATOM 0 HG SER A 94 1.695 2.765 2.567 1.00 0.00 H new ATOM 1411 N VAL A 95 1.035 4.117 -0.672 1.00 0.00 N ATOM 1412 CA VAL A 95 0.975 5.202 -1.643 1.00 0.00 C ATOM 1413 C VAL A 95 1.600 6.475 -1.084 1.00 0.00 C ATOM 1414 O VAL A 95 1.606 6.696 0.126 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.477 5.498 -2.065 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.513 6.580 -3.133 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.157 4.229 -2.556 1.00 0.00 C ATOM 0 H VAL A 95 0.566 4.316 0.212 1.00 0.00 H new ATOM 0 HA VAL A 95 1.540 4.877 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.023 5.863 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.547 6.775 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.066 7.493 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.048 6.248 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.182 4.456 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.613 3.833 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.164 3.488 -1.757 1.00 0.00 H new ATOM 1427 N MET A 96 2.124 7.311 -1.975 1.00 0.00 N ATOM 1428 CA MET A 96 2.751 8.564 -1.570 1.00 0.00 C ATOM 1429 C MET A 96 2.585 9.628 -2.651 1.00 0.00 C ATOM 1430 O MET A 96 1.909 9.407 -3.656 1.00 0.00 O ATOM 1431 CB MET A 96 4.236 8.345 -1.277 1.00 0.00 C ATOM 1432 CG MET A 96 4.994 7.700 -2.426 1.00 0.00 C ATOM 1433 SD MET A 96 6.782 7.815 -2.231 1.00 0.00 S ATOM 1434 CE MET A 96 7.042 9.564 -2.513 1.00 0.00 C ATOM 0 H MET A 96 2.127 7.144 -2.981 1.00 0.00 H new ATOM 0 HA MET A 96 2.257 8.912 -0.663 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.697 9.304 -1.042 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.334 7.718 -0.391 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.708 6.651 -2.501 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.703 8.178 -3.361 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.946 9.707 -3.105 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.188 9.977 -3.049 1.00 0.00 H new ATOM 0 HE3 MET A 96 7.151 10.075 -1.556 1.00 0.00 H new ATOM 1444 N VAL A 97 3.205 10.784 -2.437 1.00 0.00 N ATOM 1445 CA VAL A 97 3.127 11.882 -3.393 1.00 0.00 C ATOM 1446 C VAL A 97 4.428 12.676 -3.426 1.00 0.00 C ATOM 1447 O VAL A 97 5.139 12.767 -2.424 1.00 0.00 O ATOM 1448 CB VAL A 97 1.965 12.836 -3.057 1.00 0.00 C ATOM 1449 CG1 VAL A 97 2.151 13.439 -1.673 1.00 0.00 C ATOM 1450 CG2 VAL A 97 1.850 13.926 -4.112 1.00 0.00 C ATOM 0 H VAL A 97 3.767 10.984 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 97 2.952 11.437 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 97 1.037 12.264 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.320 14.110 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.180 12.642 -0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.086 13.998 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.024 14.591 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.778 14.497 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.665 13.472 -5.086 1.00 0.00 H new ATOM 1460 N THR A 98 4.735 13.251 -4.584 1.00 0.00 N ATOM 1461 CA THR A 98 5.951 14.037 -4.749 1.00 0.00 C ATOM 1462 C THR A 98 5.643 15.408 -5.340 1.00 0.00 C ATOM 1463 O THR A 98 5.554 15.566 -6.558 1.00 0.00 O ATOM 1464 CB THR A 98 6.967 13.317 -5.655 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.435 12.124 -5.015 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.147 14.223 -5.973 1.00 0.00 C ATOM 0 H THR A 98 4.158 13.187 -5.422 1.00 0.00 H new ATOM 0 HA THR A 98 6.384 14.161 -3.757 1.00 0.00 H new ATOM 0 HB THR A 98 6.467 13.057 -6.588 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.079 11.671 -5.598 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.851 13.692 -6.614 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.792 15.117 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.645 14.510 -5.047 1.00 0.00 H new ATOM 1474 N LYS A 99 5.483 16.400 -4.470 1.00 0.00 N ATOM 1475 CA LYS A 99 5.187 17.760 -4.905 1.00 0.00 C ATOM 1476 C LYS A 99 6.262 18.730 -4.425 1.00 0.00 C ATOM 1477 O LYS A 99 6.906 18.501 -3.403 1.00 0.00 O ATOM 1478 CB LYS A 99 3.818 18.199 -4.382 1.00 0.00 C ATOM 1479 CG LYS A 99 3.497 19.656 -4.665 1.00 0.00 C ATOM 1480 CD LYS A 99 2.273 20.118 -3.891 1.00 0.00 C ATOM 1481 CE LYS A 99 0.990 19.572 -4.500 1.00 0.00 C ATOM 1482 NZ LYS A 99 -0.218 20.066 -3.783 1.00 0.00 N ATOM 0 H LYS A 99 5.553 16.287 -3.459 1.00 0.00 H new ATOM 0 HA LYS A 99 5.172 17.771 -5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.048 17.572 -4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.778 18.029 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.353 20.276 -4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.326 19.791 -5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.352 19.792 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.237 21.207 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.934 19.862 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.009 18.483 -4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.071 19.672 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.177 19.768 -2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.250 21.104 -3.832 1.00 0.00 H new ATOM 1496 N ASN A 100 6.448 19.816 -5.170 1.00 0.00 N ATOM 1497 CA ASN A 100 7.444 20.822 -4.819 1.00 0.00 C ATOM 1498 C ASN A 100 8.856 20.293 -5.051 1.00 0.00 C ATOM 1499 O ASN A 100 9.791 20.656 -4.337 1.00 0.00 O ATOM 1500 CB ASN A 100 7.279 21.244 -3.358 1.00 0.00 C ATOM 1501 CG ASN A 100 7.936 22.579 -3.065 1.00 0.00 C ATOM 1502 OD1 ASN A 100 7.391 23.636 -3.384 1.00 0.00 O ATOM 1503 ND2 ASN A 100 9.115 22.537 -2.455 1.00 0.00 N ATOM 0 H ASN A 100 5.922 20.021 -6.020 1.00 0.00 H new ATOM 0 HA ASN A 100 7.290 21.690 -5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.218 21.304 -3.117 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.710 20.480 -2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.605 23.403 -2.233 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.530 21.638 -2.209 1.00 0.00 H new ATOM 1510 N ARG A 101 9.003 19.435 -6.055 1.00 0.00 N ATOM 1511 CA ARG A 101 10.301 18.856 -6.382 1.00 0.00 C ATOM 1512 C ARG A 101 10.831 18.022 -5.219 1.00 0.00 C ATOM 1513 O ARG A 101 12.040 17.840 -5.074 1.00 0.00 O ATOM 1514 CB ARG A 101 11.302 19.958 -6.731 1.00 0.00 C ATOM 1515 CG ARG A 101 11.016 20.641 -8.059 1.00 0.00 C ATOM 1516 CD ARG A 101 11.690 22.002 -8.141 1.00 0.00 C ATOM 1517 NE ARG A 101 11.495 22.631 -9.444 1.00 0.00 N ATOM 1518 CZ ARG A 101 12.245 22.367 -10.508 1.00 0.00 C ATOM 1519 NH1 ARG A 101 13.236 21.490 -10.423 1.00 0.00 N ATOM 1520 NH2 ARG A 101 12.006 22.981 -11.660 1.00 0.00 N ATOM 0 H ARG A 101 8.239 19.125 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 101 10.173 18.205 -7.247 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.297 20.706 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.304 19.531 -6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 101 11.366 20.011 -8.877 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.940 20.758 -8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 101 11.292 22.651 -7.362 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.757 21.890 -7.948 1.00 0.00 H new ATOM 0 HE ARG A 101 10.741 23.311 -9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 101 13.424 21.017 -9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.811 21.289 -11.241 1.00 0.00 H new ATOM 0 HH21 ARG A 101 11.245 23.657 -11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 101 12.583 22.777 -12.476 1.00 0.00 H new ATOM 1534 N ARG A 102 9.920 17.517 -4.395 1.00 0.00 N ATOM 1535 CA ARG A 102 10.296 16.704 -3.244 1.00 0.00 C ATOM 1536 C ARG A 102 9.274 15.597 -3.004 1.00 0.00 C ATOM 1537 O ARG A 102 8.120 15.702 -3.418 1.00 0.00 O ATOM 1538 CB ARG A 102 10.421 17.578 -1.995 1.00 0.00 C ATOM 1539 CG ARG A 102 9.083 18.019 -1.424 1.00 0.00 C ATOM 1540 CD ARG A 102 9.208 18.428 0.036 1.00 0.00 C ATOM 1541 NE ARG A 102 9.496 17.287 0.901 1.00 0.00 N ATOM 1542 CZ ARG A 102 9.914 17.405 2.157 1.00 0.00 C ATOM 1543 NH1 ARG A 102 10.091 18.605 2.690 1.00 0.00 N ATOM 1544 NH2 ARG A 102 10.156 16.319 2.881 1.00 0.00 N ATOM 0 H ARG A 102 8.915 17.656 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 102 11.261 16.244 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.969 17.028 -1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.012 18.461 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.696 18.856 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.362 17.207 -1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 102 10.000 19.170 0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.282 18.904 0.360 1.00 0.00 H new ATOM 0 HE ARG A 102 9.370 16.349 0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.906 19.441 2.136 1.00 0.00 H new ATOM 0 HH12 ARG A 102 10.412 18.692 3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.021 15.394 2.473 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.477 16.410 3.845 1.00 0.00 H new ATOM 1558 N SER A 103 9.708 14.535 -2.332 1.00 0.00 N ATOM 1559 CA SER A 103 8.833 13.405 -2.040 1.00 0.00 C ATOM 1560 C SER A 103 8.427 13.398 -0.569 1.00 0.00 C ATOM 1561 O SER A 103 9.210 13.774 0.303 1.00 0.00 O ATOM 1562 CB SER A 103 9.527 12.089 -2.396 1.00 0.00 C ATOM 1563 OG SER A 103 10.924 12.173 -2.172 1.00 0.00 O ATOM 0 H SER A 103 10.660 14.433 -1.980 1.00 0.00 H new ATOM 0 HA SER A 103 7.933 13.508 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.108 11.280 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.337 11.845 -3.441 1.00 0.00 H new ATOM 0 HG SER A 103 11.345 11.319 -2.405 1.00 0.00 H new ATOM 1569 N SER A 104 7.198 12.969 -0.303 1.00 0.00 N ATOM 1570 CA SER A 104 6.685 12.916 1.061 1.00 0.00 C ATOM 1571 C SER A 104 6.722 11.489 1.600 1.00 0.00 C ATOM 1572 O SER A 104 7.218 10.576 0.941 1.00 0.00 O ATOM 1573 CB SER A 104 5.255 13.456 1.112 1.00 0.00 C ATOM 1574 OG SER A 104 4.337 12.520 0.574 1.00 0.00 O ATOM 0 H SER A 104 6.539 12.653 -1.014 1.00 0.00 H new ATOM 0 HA SER A 104 7.323 13.539 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.985 13.683 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.196 14.390 0.554 1.00 0.00 H new ATOM 0 HG SER A 104 4.464 12.458 -0.396 1.00 0.00 H new ATOM 1580 N THR A 105 6.193 11.305 2.806 1.00 0.00 N ATOM 1581 CA THR A 105 6.166 9.992 3.437 1.00 0.00 C ATOM 1582 C THR A 105 5.003 9.156 2.916 1.00 0.00 C ATOM 1583 O THR A 105 4.034 9.692 2.377 1.00 0.00 O ATOM 1584 CB THR A 105 6.057 10.106 4.969 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.276 8.826 5.572 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.690 10.636 5.376 1.00 0.00 C ATOM 0 H THR A 105 5.777 12.050 3.365 1.00 0.00 H new ATOM 0 HA THR A 105 7.105 9.500 3.184 1.00 0.00 H new ATOM 0 HB THR A 105 6.818 10.805 5.314 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.207 8.907 6.546 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.636 10.708 6.462 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.537 11.623 4.939 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.916 9.957 5.019 1.00 0.00 H new ATOM 1594 N TRP A 106 5.104 7.842 3.081 1.00 0.00 N ATOM 1595 CA TRP A 106 4.058 6.932 2.628 1.00 0.00 C ATOM 1596 C TRP A 106 2.907 6.885 3.626 1.00 0.00 C ATOM 1597 O TRP A 106 3.092 7.153 4.814 1.00 0.00 O ATOM 1598 CB TRP A 106 4.629 5.528 2.422 1.00 0.00 C ATOM 1599 CG TRP A 106 5.709 5.472 1.385 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.027 5.786 1.556 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.563 5.081 0.015 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.709 5.613 0.376 1.00 0.00 N ATOM 1603 CE2 TRP A 106 6.834 5.180 -0.584 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.483 4.654 -0.762 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.051 4.869 -1.924 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 4.700 4.346 -2.092 1.00 0.00 C ATOM 1607 CH2 TRP A 106 5.976 4.454 -2.662 1.00 0.00 C ATOM 0 H TRP A 106 5.899 7.383 3.525 1.00 0.00 H new ATOM 0 HA TRP A 106 3.674 7.304 1.678 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.026 5.162 3.369 1.00 0.00 H new ATOM 0 HB3 TRP A 106 3.822 4.854 2.133 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.468 6.121 2.483 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.706 5.780 0.238 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.497 4.566 -0.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.033 4.952 -2.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 3.872 4.017 -2.702 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.113 4.205 -3.704 1.00 0.00 H new ATOM 1618 N SER A 107 1.719 6.543 3.138 1.00 0.00 N ATOM 1619 CA SER A 107 0.537 6.464 3.988 1.00 0.00 C ATOM 1620 C SER A 107 0.373 5.061 4.563 1.00 0.00 C ATOM 1621 O SER A 107 1.148 4.157 4.252 1.00 0.00 O ATOM 1622 CB SER A 107 -0.714 6.853 3.197 1.00 0.00 C ATOM 1623 OG SER A 107 -1.888 6.631 3.958 1.00 0.00 O ATOM 0 H SER A 107 1.550 6.316 2.158 1.00 0.00 H new ATOM 0 HA SER A 107 0.668 7.163 4.814 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.655 7.903 2.911 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.760 6.274 2.275 1.00 0.00 H new ATOM 0 HG SER A 107 -2.430 7.447 3.969 1.00 0.00 H new ATOM 1629 N MET A 108 -0.643 4.886 5.402 1.00 0.00 N ATOM 1630 CA MET A 108 -0.910 3.592 6.020 1.00 0.00 C ATOM 1631 C MET A 108 -0.797 2.468 4.995 1.00 0.00 C ATOM 1632 O MET A 108 -1.206 2.618 3.844 1.00 0.00 O ATOM 1633 CB MET A 108 -2.303 3.583 6.652 1.00 0.00 C ATOM 1634 CG MET A 108 -3.412 3.964 5.686 1.00 0.00 C ATOM 1635 SD MET A 108 -5.030 3.372 6.217 1.00 0.00 S ATOM 1636 CE MET A 108 -5.038 1.727 5.510 1.00 0.00 C ATOM 0 H MET A 108 -1.295 5.624 5.669 1.00 0.00 H new ATOM 0 HA MET A 108 -0.165 3.427 6.798 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.505 2.589 7.051 1.00 0.00 H new ATOM 0 HB3 MET A 108 -2.314 4.273 7.496 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.442 5.049 5.583 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.186 3.557 4.701 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.947 1.587 4.926 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.169 1.604 4.864 1.00 0.00 H new ATOM 0 HE3 MET A 108 -5.003 0.987 6.310 1.00 0.00 H new ATOM 1646 N THR A 109 -0.238 1.339 5.421 1.00 0.00 N ATOM 1647 CA THR A 109 -0.070 0.190 4.541 1.00 0.00 C ATOM 1648 C THR A 109 -1.351 -0.633 4.460 1.00 0.00 C ATOM 1649 O THR A 109 -2.162 -0.629 5.385 1.00 0.00 O ATOM 1650 CB THR A 109 1.080 -0.718 5.016 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.341 -0.138 4.664 1.00 0.00 O ATOM 1652 CG2 THR A 109 0.965 -2.105 4.401 1.00 0.00 C ATOM 0 H THR A 109 0.106 1.197 6.371 1.00 0.00 H new ATOM 0 HA THR A 109 0.170 0.582 3.553 1.00 0.00 H new ATOM 0 HB THR A 109 1.014 -0.812 6.100 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.925 -0.122 5.451 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.788 -2.728 4.751 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.018 -2.556 4.696 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.007 -2.026 3.315 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.526 -1.337 3.347 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.707 -2.167 3.146 1.00 0.00 C ATOM 1662 C ALA A 110 -2.319 -3.600 2.798 1.00 0.00 C ATOM 1663 O ALA A 110 -1.532 -3.835 1.881 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.588 -1.577 2.054 1.00 0.00 C ATOM 0 H ALA A 110 -0.865 -1.349 2.570 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.269 -2.187 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.466 -2.207 1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.903 -0.574 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.026 -1.526 1.121 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.877 -4.555 3.536 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.588 -5.966 3.304 1.00 0.00 C ATOM 1672 C HIS A 111 -3.627 -6.588 2.376 1.00 0.00 C ATOM 1673 O HIS A 111 -4.807 -6.242 2.429 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.553 -6.725 4.631 1.00 0.00 C ATOM 1675 CG HIS A 111 -1.281 -6.534 5.397 1.00 0.00 C ATOM 1676 ND1 HIS A 111 -0.054 -6.369 4.790 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -1.049 -6.480 6.730 1.00 0.00 C ATOM 1678 CE1 HIS A 111 0.877 -6.224 5.715 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.300 -6.287 6.901 1.00 0.00 N ATOM 0 H HIS A 111 -3.531 -4.378 4.299 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.611 -6.038 2.826 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.391 -6.401 5.248 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.694 -7.788 4.436 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.787 -6.572 7.513 1.00 0.00 H new ATOM 0 HE1 HIS A 111 1.931 -6.079 5.533 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.778 -6.206 7.798 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.180 -7.506 1.526 1.00 0.00 N ATOM 1689 CA ALA A 112 -4.071 -8.176 0.587 1.00 0.00 C ATOM 1690 C ALA A 112 -3.380 -9.366 -0.072 1.00 0.00 C ATOM 1691 O ALA A 112 -2.477 -9.197 -0.892 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.560 -7.196 -0.469 1.00 0.00 C ATOM 0 H ALA A 112 -2.206 -7.803 1.468 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.930 -8.550 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.224 -7.711 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.100 -6.381 0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.707 -6.793 -1.015 1.00 0.00 H new ATOM 1698 N THR A 113 -3.809 -10.570 0.292 1.00 0.00 N ATOM 1699 CA THR A 113 -3.231 -11.787 -0.262 1.00 0.00 C ATOM 1700 C THR A 113 -3.870 -12.140 -1.600 1.00 0.00 C ATOM 1701 O THR A 113 -5.024 -11.798 -1.858 1.00 0.00 O ATOM 1702 CB THR A 113 -3.395 -12.977 0.702 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.295 -12.527 2.058 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.340 -14.040 0.436 1.00 0.00 C ATOM 0 H THR A 113 -4.556 -10.728 0.969 1.00 0.00 H new ATOM 0 HA THR A 113 -2.169 -11.593 -0.410 1.00 0.00 H new ATOM 0 HB THR A 113 -4.379 -13.416 0.537 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.402 -13.289 2.664 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.477 -14.870 1.129 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.438 -14.402 -0.587 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.348 -13.611 0.575 1.00 0.00 H new ATOM 1712 N THR A 114 -3.113 -12.828 -2.449 1.00 0.00 N ATOM 1713 CA THR A 114 -3.606 -13.227 -3.762 1.00 0.00 C ATOM 1714 C THR A 114 -4.258 -14.603 -3.709 1.00 0.00 C ATOM 1715 O THR A 114 -3.969 -15.404 -2.820 1.00 0.00 O ATOM 1716 CB THR A 114 -2.472 -13.248 -4.805 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.368 -14.016 -4.312 1.00 0.00 O ATOM 1718 CG2 THR A 114 -2.009 -11.836 -5.130 1.00 0.00 C ATOM 0 H THR A 114 -2.156 -13.121 -2.251 1.00 0.00 H new ATOM 0 HA THR A 114 -4.349 -12.487 -4.059 1.00 0.00 H new ATOM 0 HB THR A 114 -2.855 -13.706 -5.717 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.582 -13.858 -4.876 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.208 -11.877 -5.868 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.844 -11.263 -5.532 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.642 -11.356 -4.223 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.139 -14.872 -4.666 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.834 -16.153 -4.727 1.00 0.00 C ATOM 1728 C TYR A 115 -4.895 -17.261 -5.194 1.00 0.00 C ATOM 1729 O TYR A 115 -3.982 -17.023 -5.984 1.00 0.00 O ATOM 1730 CB TYR A 115 -7.038 -16.059 -5.667 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.888 -14.830 -5.441 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -8.846 -14.799 -4.434 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.734 -13.699 -6.233 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.626 -13.678 -4.225 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.508 -12.573 -6.029 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.453 -12.567 -5.024 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.227 -11.449 -4.818 1.00 0.00 O ATOM 0 H TYR A 115 -5.389 -14.221 -5.410 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.183 -16.397 -3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.684 -16.061 -6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.657 -16.947 -5.540 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -8.983 -15.666 -3.804 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.996 -13.700 -7.022 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.368 -13.672 -3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.374 -11.702 -6.653 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.024 -10.779 -5.504 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.129 -18.473 -4.700 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.304 -19.618 -5.066 1.00 0.00 C ATOM 1749 C GLU A 116 -4.387 -19.892 -6.565 1.00 0.00 C ATOM 1750 O GLU A 116 -5.469 -20.119 -7.106 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.740 -20.859 -4.285 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.609 -21.839 -4.018 1.00 0.00 C ATOM 1753 CD GLU A 116 -4.038 -23.000 -3.142 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.623 -23.964 -3.679 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.789 -22.944 -1.920 1.00 0.00 O ATOM 0 H GLU A 116 -5.882 -18.687 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.270 -19.383 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.171 -20.546 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.528 -21.369 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.235 -22.223 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.783 -21.313 -3.539 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.237 -19.868 -7.230 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.179 -20.114 -8.665 1.00 0.00 C ATOM 1764 C ALA A 117 -3.792 -21.466 -9.015 1.00 0.00 C ATOM 1765 O ALA A 117 -4.133 -22.252 -8.131 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.741 -20.042 -9.156 1.00 0.00 C ATOM 0 H ALA A 117 -2.332 -19.681 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.761 -19.340 -9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.713 -20.228 -10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.335 -19.052 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.143 -20.795 -8.642 1.00 0.00 H new ATOM 1772 N SER A 118 -3.929 -21.731 -10.311 1.00 0.00 N ATOM 1773 CA SER A 118 -4.505 -22.987 -10.777 1.00 0.00 C ATOM 1774 C SER A 118 -5.920 -23.169 -10.238 1.00 0.00 C ATOM 1775 O SER A 118 -6.317 -24.272 -9.864 1.00 0.00 O ATOM 1776 CB SER A 118 -3.628 -24.165 -10.348 1.00 0.00 C ATOM 1777 OG SER A 118 -3.881 -25.307 -11.149 1.00 0.00 O ATOM 0 H SER A 118 -3.649 -21.093 -11.056 1.00 0.00 H new ATOM 0 HA SER A 118 -4.551 -22.955 -11.866 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.577 -23.887 -10.426 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.818 -24.402 -9.301 1.00 0.00 H new ATOM 0 HG SER A 118 -4.838 -25.518 -11.125 1.00 0.00 H new ATOM 1783 N GLY A 119 -6.678 -22.077 -10.200 1.00 0.00 N ATOM 1784 CA GLY A 119 -8.041 -22.136 -9.705 1.00 0.00 C ATOM 1785 C GLY A 119 -8.241 -21.300 -8.456 1.00 0.00 C ATOM 1786 O GLY A 119 -7.654 -21.565 -7.406 1.00 0.00 O ATOM 0 H GLY A 119 -6.372 -21.152 -10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.722 -21.790 -10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.302 -23.172 -9.490 1.00 0.00 H new ATOM 1790 N PRO A 120 -9.085 -20.264 -8.562 1.00 0.00 N ATOM 1791 CA PRO A 120 -9.379 -19.365 -7.442 1.00 0.00 C ATOM 1792 C PRO A 120 -10.198 -20.047 -6.350 1.00 0.00 C ATOM 1793 O PRO A 120 -11.224 -20.667 -6.627 1.00 0.00 O ATOM 1794 CB PRO A 120 -10.188 -18.240 -8.092 1.00 0.00 C ATOM 1795 CG PRO A 120 -10.805 -18.865 -9.296 1.00 0.00 C ATOM 1796 CD PRO A 120 -9.819 -19.890 -9.782 1.00 0.00 C ATOM 0 HA PRO A 120 -8.471 -19.024 -6.945 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -10.948 -17.855 -7.412 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -9.550 -17.400 -8.365 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -11.760 -19.329 -9.049 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -11.003 -18.118 -10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.320 -20.749 -10.229 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -9.153 -19.479 -10.541 1.00 0.00 H new ATOM 1804 N SER A 121 -9.737 -19.927 -5.109 1.00 0.00 N ATOM 1805 CA SER A 121 -10.425 -20.535 -3.977 1.00 0.00 C ATOM 1806 C SER A 121 -11.929 -20.292 -4.060 1.00 0.00 C ATOM 1807 O SER A 121 -12.373 -19.188 -4.376 1.00 0.00 O ATOM 1808 CB SER A 121 -9.878 -19.977 -2.661 1.00 0.00 C ATOM 1809 OG SER A 121 -8.515 -20.322 -2.488 1.00 0.00 O ATOM 0 H SER A 121 -8.890 -19.414 -4.862 1.00 0.00 H new ATOM 0 HA SER A 121 -10.246 -21.610 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 121 -9.986 -18.892 -2.649 1.00 0.00 H new ATOM 0 HB3 SER A 121 -10.463 -20.365 -1.827 1.00 0.00 H new ATOM 0 HG SER A 121 -8.189 -19.952 -1.641 1.00 0.00 H new ATOM 1815 N SER A 122 -12.707 -21.331 -3.774 1.00 0.00 N ATOM 1816 CA SER A 122 -14.161 -21.232 -3.820 1.00 0.00 C ATOM 1817 C SER A 122 -14.778 -21.687 -2.501 1.00 0.00 C ATOM 1818 O SER A 122 -14.094 -22.237 -1.640 1.00 0.00 O ATOM 1819 CB SER A 122 -14.714 -22.074 -4.972 1.00 0.00 C ATOM 1820 OG SER A 122 -14.272 -23.418 -4.879 1.00 0.00 O ATOM 0 H SER A 122 -12.355 -22.251 -3.508 1.00 0.00 H new ATOM 0 HA SER A 122 -14.425 -20.187 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 122 -15.804 -22.044 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 122 -14.396 -21.648 -5.924 1.00 0.00 H new ATOM 0 HG SER A 122 -14.640 -23.936 -5.625 1.00 0.00 H new ATOM 1826 N GLY A 123 -16.078 -21.451 -2.350 1.00 0.00 N ATOM 1827 CA GLY A 123 -16.767 -21.841 -1.134 1.00 0.00 C ATOM 1828 C GLY A 123 -17.715 -23.004 -1.352 1.00 0.00 C ATOM 1829 O GLY A 123 -18.775 -23.074 -0.731 1.00 0.00 O ATOM 0 H GLY A 123 -16.666 -20.997 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -16.033 -22.112 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -17.326 -20.989 -0.747 1.00 0.00 H new TER 1833 GLY A 123