USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 621 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: C 49 ASN : amide:sc= -0.469 X(o=-1.4,f=-1.3) USER MOD Set 1.2: D 73 TYR OH : rot 121:sc= -0.923 USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 31 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 5 ASN : amide:sc= -0.201 K(o=0.19,f=-1.8) USER MOD Set 3.2: B 27 ASN : amide:sc= 0.391 K(o=0.19,f=-4) USER MOD Single : A 2 ASN : amide:sc= -0.718 X(o=-0.72,f=-1.2) USER MOD Single : A 6 CYS SG : rot 180:sc= 0.0035 USER MOD Single : A 7 TYR OH : rot 168:sc= -0.711 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.138 USER MOD Single : B 24 ASN : amide:sc= -0.0337 K(o=-0.034,f=-0.77) USER MOD Single : B 28 CYS SG : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot -159:sc= 0.661 USER MOD Single : B 34 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.42) USER MOD Single : B 36 SER OG : rot 141:sc= -0.0427 USER MOD Single : B 44 LYS NZ :NH3+ -168:sc= -0.16 (180deg=-0.366) USER MOD Single : C 45 SER OG : rot 19:sc= 0.414 USER MOD Single : C 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 50 CYS SG : rot -0:sc= -0.657 USER MOD Single : C 51 TYR OH : rot 36:sc= 0.0831 USER MOD Single : C 53 SER OG : rot 180:sc= -0.0662 USER MOD Single : C 56 HIS : no HD1:sc= -0.624 X(o=-0.62,f=-0.48) USER MOD Single : C 58 SER OG : rot -76:sc= -0.464 USER MOD Single : C 66 LYS NZ :NH3+ 152:sc= -0.849 (180deg=-2.6!) USER MOD Single : D 67 SER OG : rot 180:sc= 0 USER MOD Single : D 68 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.11) USER MOD Single : D 71 ASN : amide:sc= -3.43! C(o=-3.4!,f=-9!) USER MOD Single : D 72 CYS SG : rot 180:sc= 0 USER MOD Single : D 75 SER OG : rot -167:sc= 1.11 USER MOD Single : D 78 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : D 80 SER OG : rot 103:sc= -1.93! USER MOD ----------------------------------------------------------------- ATOM 14 N ASN A 2 14.178 6.299 -6.403 1.00 0.00 N ATOM 15 CA ASN A 2 13.155 6.910 -5.562 1.00 0.00 C ATOM 16 C ASN A 2 11.762 6.458 -5.985 1.00 0.00 C ATOM 17 O ASN A 2 11.259 6.862 -7.033 1.00 0.00 O ATOM 18 CB ASN A 2 13.253 8.436 -5.632 1.00 0.00 C ATOM 19 CG ASN A 2 13.030 8.967 -7.034 1.00 0.00 C ATOM 20 OD1 ASN A 2 11.928 9.389 -7.383 1.00 0.00 O ATOM 21 ND2 ASN A 2 14.080 8.948 -7.848 1.00 0.00 N ATOM 0 HA ASN A 2 13.324 6.589 -4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 2 12.517 8.876 -4.959 1.00 0.00 H new ATOM 0 HB3 ASN A 2 14.235 8.751 -5.280 1.00 0.00 H new ATOM 0 HD21 ASN A 2 13.990 9.292 -8.804 1.00 0.00 H new ATOM 0 HD22 ASN A 2 14.976 8.589 -7.517 1.00 0.00 H new ATOM 28 N PHE A 3 11.143 5.616 -5.164 1.00 0.00 N ATOM 29 CA PHE A 3 9.808 5.106 -5.455 1.00 0.00 C ATOM 30 C PHE A 3 8.738 5.950 -4.769 1.00 0.00 C ATOM 31 O PHE A 3 8.902 6.368 -3.622 1.00 0.00 O ATOM 32 CB PHE A 3 9.687 3.648 -5.006 1.00 0.00 C ATOM 33 CG PHE A 3 8.511 2.930 -5.606 1.00 0.00 C ATOM 34 CD1 PHE A 3 7.216 3.309 -5.291 1.00 0.00 C ATOM 35 CD2 PHE A 3 8.701 1.877 -6.487 1.00 0.00 C ATOM 36 CE1 PHE A 3 6.133 2.650 -5.841 1.00 0.00 C ATOM 37 CE2 PHE A 3 7.621 1.216 -7.040 1.00 0.00 C ATOM 38 CZ PHE A 3 6.335 1.604 -6.714 1.00 0.00 C ATOM 0 H PHE A 3 11.545 5.272 -4.292 1.00 0.00 H new ATOM 0 HA PHE A 3 9.654 5.163 -6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.601 3.117 -5.273 1.00 0.00 H new ATOM 0 HB3 PHE A 3 9.606 3.617 -3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 3 7.051 4.129 -4.608 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.704 1.570 -6.744 1.00 0.00 H new ATOM 0 HE1 PHE A 3 5.129 2.955 -5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 3 7.781 0.397 -7.726 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.489 1.087 -7.143 1.00 0.00 H new ATOM 48 N LEU A 4 7.642 6.194 -5.479 1.00 0.00 N ATOM 49 CA LEU A 4 6.544 6.985 -4.939 1.00 0.00 C ATOM 50 C LEU A 4 5.203 6.294 -5.179 1.00 0.00 C ATOM 51 O LEU A 4 4.448 6.671 -6.075 1.00 0.00 O ATOM 52 CB LEU A 4 6.540 8.383 -5.567 1.00 0.00 C ATOM 53 CG LEU A 4 6.502 9.540 -4.568 1.00 0.00 C ATOM 54 CD1 LEU A 4 7.912 9.965 -4.190 1.00 0.00 C ATOM 55 CD2 LEU A 4 5.725 10.715 -5.143 1.00 0.00 C ATOM 0 H LEU A 4 7.491 5.855 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 4 6.690 7.080 -3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.429 8.488 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.678 8.465 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 4 5.993 9.200 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.865 10.789 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.436 9.124 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.447 10.287 -5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.708 11.529 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.206 11.055 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.704 10.403 -5.363 1.00 0.00 H new ATOM 67 N ASN A 5 4.912 5.281 -4.368 1.00 0.00 N ATOM 68 CA ASN A 5 3.661 4.542 -4.489 1.00 0.00 C ATOM 69 C ASN A 5 2.477 5.430 -4.118 1.00 0.00 C ATOM 70 O ASN A 5 2.241 5.704 -2.943 1.00 0.00 O ATOM 71 CB ASN A 5 3.684 3.304 -3.589 1.00 0.00 C ATOM 72 CG ASN A 5 2.467 2.422 -3.790 1.00 0.00 C ATOM 73 OD1 ASN A 5 2.010 2.223 -4.916 1.00 0.00 O ATOM 74 ND2 ASN A 5 1.935 1.890 -2.696 1.00 0.00 N ATOM 0 H ASN A 5 5.525 4.954 -3.621 1.00 0.00 H new ATOM 0 HA ASN A 5 3.551 4.224 -5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.586 2.727 -3.793 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.735 3.617 -2.546 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.114 1.289 -2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.347 2.082 -1.783 1.00 0.00 H new ATOM 81 N CYS A 6 1.738 5.881 -5.128 1.00 0.00 N ATOM 82 CA CYS A 6 0.583 6.744 -4.901 1.00 0.00 C ATOM 83 C CYS A 6 -0.706 6.072 -5.362 1.00 0.00 C ATOM 84 O CYS A 6 -0.690 5.213 -6.244 1.00 0.00 O ATOM 85 CB CYS A 6 0.765 8.076 -5.629 1.00 0.00 C ATOM 86 SG CYS A 6 1.035 7.913 -7.410 1.00 0.00 S ATOM 0 H CYS A 6 1.918 5.664 -6.108 1.00 0.00 H new ATOM 0 HA CYS A 6 0.508 6.928 -3.829 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.118 8.693 -5.461 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.612 8.605 -5.191 1.00 0.00 H new ATOM 0 HG CYS A 6 1.176 9.093 -7.937 1.00 0.00 H new ATOM 92 N TYR A 7 -1.823 6.472 -4.759 1.00 0.00 N ATOM 93 CA TYR A 7 -3.127 5.913 -5.105 1.00 0.00 C ATOM 94 C TYR A 7 -4.228 6.532 -4.247 1.00 0.00 C ATOM 95 O TYR A 7 -4.256 6.352 -3.030 1.00 0.00 O ATOM 96 CB TYR A 7 -3.117 4.390 -4.929 1.00 0.00 C ATOM 97 CG TYR A 7 -4.476 3.743 -5.098 1.00 0.00 C ATOM 98 CD1 TYR A 7 -5.381 4.215 -6.041 1.00 0.00 C ATOM 99 CD2 TYR A 7 -4.853 2.663 -4.311 1.00 0.00 C ATOM 100 CE1 TYR A 7 -6.622 3.628 -6.195 1.00 0.00 C ATOM 101 CE2 TYR A 7 -6.092 2.069 -4.460 1.00 0.00 C ATOM 102 CZ TYR A 7 -6.973 2.556 -5.402 1.00 0.00 C ATOM 103 OH TYR A 7 -8.208 1.969 -5.552 1.00 0.00 O ATOM 0 H TYR A 7 -1.851 7.182 -4.027 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.331 6.148 -6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.426 3.955 -5.652 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.733 4.151 -3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.110 5.055 -6.664 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.167 2.281 -3.570 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.314 4.007 -6.933 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.369 1.228 -3.842 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.226 1.117 -5.068 1.00 0.00 H new ATOM 113 N VAL A 8 -5.134 7.260 -4.891 1.00 0.00 N ATOM 114 CA VAL A 8 -6.238 7.903 -4.186 1.00 0.00 C ATOM 115 C VAL A 8 -7.579 7.531 -4.815 1.00 0.00 C ATOM 116 O VAL A 8 -8.005 8.139 -5.796 1.00 0.00 O ATOM 117 CB VAL A 8 -6.083 9.437 -4.178 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.036 9.982 -5.597 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.208 10.089 -3.384 1.00 0.00 C ATOM 0 H VAL A 8 -5.126 7.420 -5.898 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.214 7.544 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.139 9.681 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.926 11.066 -5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.189 9.546 -6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.959 9.725 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.079 11.171 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.167 9.835 -3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.184 9.728 -2.356 1.00 0.00 H new ATOM 129 N SER A 9 -8.239 6.530 -4.240 1.00 0.00 N ATOM 130 CA SER A 9 -9.533 6.077 -4.744 1.00 0.00 C ATOM 131 C SER A 9 -9.437 5.674 -6.213 1.00 0.00 C ATOM 132 O SER A 9 -8.438 5.944 -6.878 1.00 0.00 O ATOM 133 CB SER A 9 -10.582 7.176 -4.573 1.00 0.00 C ATOM 134 OG SER A 9 -11.893 6.637 -4.587 1.00 0.00 O ATOM 0 H SER A 9 -7.900 6.017 -3.426 1.00 0.00 H new ATOM 0 HA SER A 9 -9.833 5.203 -4.166 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.412 7.702 -3.634 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.478 7.909 -5.373 1.00 0.00 H new ATOM 0 HG SER A 9 -12.545 7.360 -4.474 1.00 0.00 H new ATOM 140 N GLY A 10 -10.486 5.029 -6.714 1.00 0.00 N ATOM 141 CA GLY A 10 -10.503 4.603 -8.102 1.00 0.00 C ATOM 142 C GLY A 10 -10.103 3.149 -8.271 1.00 0.00 C ATOM 143 O GLY A 10 -10.693 2.262 -7.657 1.00 0.00 O ATOM 0 H GLY A 10 -11.325 4.794 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.502 4.751 -8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.825 5.232 -8.680 1.00 0.00 H new ATOM 147 N PHE A 11 -9.099 2.908 -9.109 1.00 0.00 N ATOM 148 CA PHE A 11 -8.619 1.553 -9.363 1.00 0.00 C ATOM 149 C PHE A 11 -9.703 0.704 -10.019 1.00 0.00 C ATOM 150 O PHE A 11 -10.869 0.755 -9.629 1.00 0.00 O ATOM 151 CB PHE A 11 -8.159 0.896 -8.060 1.00 0.00 C ATOM 152 CG PHE A 11 -7.623 -0.495 -8.244 1.00 0.00 C ATOM 153 CD1 PHE A 11 -6.337 -0.700 -8.717 1.00 0.00 C ATOM 154 CD2 PHE A 11 -8.406 -1.599 -7.943 1.00 0.00 C ATOM 155 CE1 PHE A 11 -5.842 -1.980 -8.886 1.00 0.00 C ATOM 156 CE2 PHE A 11 -7.917 -2.880 -8.110 1.00 0.00 C ATOM 157 CZ PHE A 11 -6.633 -3.070 -8.582 1.00 0.00 C ATOM 0 H PHE A 11 -8.601 3.634 -9.624 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.772 1.619 -10.046 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.388 1.516 -7.603 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -8.997 0.864 -7.363 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.714 0.149 -8.956 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.411 -1.456 -7.573 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.838 -2.127 -9.255 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.537 -3.731 -7.872 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.248 -4.070 -8.713 1.00 0.00 H new ATOM 167 N HIS A 12 -9.308 -0.078 -11.019 1.00 0.00 N ATOM 168 CA HIS A 12 -10.244 -0.940 -11.731 1.00 0.00 C ATOM 169 C HIS A 12 -10.345 -2.308 -11.059 1.00 0.00 C ATOM 170 O HIS A 12 -9.396 -2.766 -10.421 1.00 0.00 O ATOM 171 CB HIS A 12 -9.809 -1.106 -13.188 1.00 0.00 C ATOM 172 CG HIS A 12 -10.035 0.117 -14.022 1.00 0.00 C ATOM 173 ND1 HIS A 12 -10.899 0.145 -15.097 1.00 0.00 N ATOM 174 CD2 HIS A 12 -9.505 1.360 -13.934 1.00 0.00 C ATOM 175 CE1 HIS A 12 -10.891 1.353 -15.633 1.00 0.00 C ATOM 176 NE2 HIS A 12 -10.054 2.108 -14.947 1.00 0.00 N ATOM 0 H HIS A 12 -8.346 -0.132 -11.354 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.226 -0.468 -11.703 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.750 -1.364 -13.216 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.353 -1.942 -13.628 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.785 1.700 -13.204 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.471 1.669 -16.488 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.848 3.089 -15.138 1.00 0.00 H new ATOM 185 N PRO A 13 -11.501 -2.980 -11.193 1.00 0.00 N ATOM 186 CA PRO A 13 -11.719 -4.302 -10.595 1.00 0.00 C ATOM 187 C PRO A 13 -10.838 -5.375 -11.225 1.00 0.00 C ATOM 188 O PRO A 13 -11.166 -5.923 -12.278 1.00 0.00 O ATOM 189 CB PRO A 13 -13.197 -4.587 -10.882 1.00 0.00 C ATOM 190 CG PRO A 13 -13.528 -3.743 -12.064 1.00 0.00 C ATOM 191 CD PRO A 13 -12.682 -2.507 -11.938 1.00 0.00 C ATOM 0 HA PRO A 13 -11.468 -4.314 -9.534 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -13.362 -5.644 -11.093 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.822 -4.331 -10.026 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.313 -4.271 -12.993 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -14.588 -3.491 -12.079 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.408 -2.106 -12.914 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.205 -1.714 -11.403 1.00 0.00 H new ATOM 199 N SER A 14 -9.717 -5.671 -10.574 1.00 0.00 N ATOM 200 CA SER A 14 -8.787 -6.679 -11.072 1.00 0.00 C ATOM 201 C SER A 14 -7.634 -6.890 -10.095 1.00 0.00 C ATOM 202 O SER A 14 -7.618 -6.320 -9.005 1.00 0.00 O ATOM 203 CB SER A 14 -8.242 -6.268 -12.441 1.00 0.00 C ATOM 204 OG SER A 14 -7.712 -7.383 -13.134 1.00 0.00 O ATOM 0 H SER A 14 -9.431 -5.228 -9.701 1.00 0.00 H new ATOM 0 HA SER A 14 -9.330 -7.619 -11.171 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.038 -5.814 -13.031 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.467 -5.512 -12.315 1.00 0.00 H new ATOM 0 HG SER A 14 -7.372 -7.094 -14.007 1.00 0.00 H new ATOM 210 N ASP A 15 -6.671 -7.714 -10.496 1.00 0.00 N ATOM 211 CA ASP A 15 -5.511 -8.003 -9.659 1.00 0.00 C ATOM 212 C ASP A 15 -4.255 -7.357 -10.235 1.00 0.00 C ATOM 213 O ASP A 15 -3.529 -7.977 -11.011 1.00 0.00 O ATOM 214 CB ASP A 15 -5.312 -9.516 -9.536 1.00 0.00 C ATOM 215 CG ASP A 15 -4.112 -9.879 -8.681 1.00 0.00 C ATOM 216 OD1 ASP A 15 -3.501 -8.961 -8.094 1.00 0.00 O ATOM 217 OD2 ASP A 15 -3.783 -11.081 -8.601 1.00 0.00 O ATOM 0 H ASP A 15 -6.671 -8.194 -11.396 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.691 -7.586 -8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.208 -9.963 -9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.188 -9.944 -10.531 1.00 0.00 H new ATOM 222 N ILE A 16 -4.005 -6.107 -9.852 1.00 0.00 N ATOM 223 CA ILE A 16 -2.838 -5.380 -10.338 1.00 0.00 C ATOM 224 C ILE A 16 -2.455 -4.243 -9.395 1.00 0.00 C ATOM 225 O ILE A 16 -3.037 -4.088 -8.320 1.00 0.00 O ATOM 226 CB ILE A 16 -3.092 -4.798 -11.745 1.00 0.00 C ATOM 227 CG1 ILE A 16 -4.270 -3.821 -11.714 1.00 0.00 C ATOM 228 CG2 ILE A 16 -3.350 -5.913 -12.746 1.00 0.00 C ATOM 229 CD1 ILE A 16 -4.463 -3.064 -13.010 1.00 0.00 C ATOM 0 H ILE A 16 -4.594 -5.579 -9.208 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.018 -6.096 -10.384 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.201 -4.255 -12.059 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.182 -4.372 -11.485 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.118 -3.107 -10.905 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.527 -5.483 -13.732 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.483 -6.572 -12.788 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.225 -6.484 -12.437 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.315 -2.391 -12.915 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.566 -2.485 -13.230 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.647 -3.770 -13.820 1.00 0.00 H new ATOM 241 N GLU A 17 -1.470 -3.446 -9.817 1.00 0.00 N ATOM 242 CA GLU A 17 -0.989 -2.304 -9.040 1.00 0.00 C ATOM 243 C GLU A 17 0.370 -1.840 -9.555 1.00 0.00 C ATOM 244 O GLU A 17 0.457 -0.883 -10.323 1.00 0.00 O ATOM 245 CB GLU A 17 -0.893 -2.643 -7.547 1.00 0.00 C ATOM 246 CG GLU A 17 -1.874 -1.870 -6.681 1.00 0.00 C ATOM 247 CD GLU A 17 -1.860 -0.380 -6.964 1.00 0.00 C ATOM 248 OE1 GLU A 17 -1.005 0.325 -6.388 1.00 0.00 O ATOM 249 OE2 GLU A 17 -2.705 0.080 -7.760 1.00 0.00 O ATOM 0 H GLU A 17 -0.985 -3.575 -10.705 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.712 -1.497 -9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.067 -3.711 -7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.121 -2.440 -7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.880 -2.257 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.635 -2.038 -5.631 1.00 0.00 H new ATOM 256 N VAL A 18 1.429 -2.528 -9.127 1.00 0.00 N ATOM 257 CA VAL A 18 2.791 -2.196 -9.539 1.00 0.00 C ATOM 258 C VAL A 18 3.806 -2.938 -8.672 1.00 0.00 C ATOM 259 O VAL A 18 3.834 -2.772 -7.454 1.00 0.00 O ATOM 260 CB VAL A 18 3.050 -0.667 -9.467 1.00 0.00 C ATOM 261 CG1 VAL A 18 4.403 -0.350 -8.842 1.00 0.00 C ATOM 262 CG2 VAL A 18 2.948 -0.046 -10.853 1.00 0.00 C ATOM 0 H VAL A 18 1.367 -3.323 -8.491 1.00 0.00 H new ATOM 0 HA VAL A 18 2.908 -2.511 -10.576 1.00 0.00 H new ATOM 0 HB VAL A 18 2.282 -0.234 -8.825 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.545 0.730 -8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.439 -0.750 -7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.195 -0.803 -9.439 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.132 1.026 -10.786 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.689 -0.501 -11.511 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.950 -0.218 -11.256 1.00 0.00 H new ATOM 272 N ASP A 19 4.637 -3.759 -9.308 1.00 0.00 N ATOM 273 CA ASP A 19 5.649 -4.523 -8.587 1.00 0.00 C ATOM 274 C ASP A 19 6.975 -4.523 -9.340 1.00 0.00 C ATOM 275 O ASP A 19 7.005 -4.607 -10.567 1.00 0.00 O ATOM 276 CB ASP A 19 5.173 -5.960 -8.367 1.00 0.00 C ATOM 277 CG ASP A 19 4.666 -6.604 -9.643 1.00 0.00 C ATOM 278 OD1 ASP A 19 3.565 -6.231 -10.099 1.00 0.00 O ATOM 279 OD2 ASP A 19 5.370 -7.482 -10.184 1.00 0.00 O ATOM 0 H ASP A 19 4.630 -3.912 -10.316 1.00 0.00 H new ATOM 0 HA ASP A 19 5.804 -4.046 -7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.994 -6.554 -7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.379 -5.966 -7.620 1.00 0.00 H new ATOM 284 N LEU A 20 8.071 -4.433 -8.592 1.00 0.00 N ATOM 285 CA LEU A 20 9.403 -4.427 -9.183 1.00 0.00 C ATOM 286 C LEU A 20 10.431 -4.987 -8.204 1.00 0.00 C ATOM 287 O LEU A 20 10.737 -4.368 -7.184 1.00 0.00 O ATOM 288 CB LEU A 20 9.792 -3.008 -9.614 1.00 0.00 C ATOM 289 CG LEU A 20 10.142 -2.045 -8.476 1.00 0.00 C ATOM 290 CD1 LEU A 20 10.394 -0.648 -9.019 1.00 0.00 C ATOM 291 CD2 LEU A 20 9.031 -2.022 -7.438 1.00 0.00 C ATOM 0 H LEU A 20 8.061 -4.363 -7.574 1.00 0.00 H new ATOM 0 HA LEU A 20 9.388 -5.066 -10.066 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.647 -3.073 -10.287 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.968 -2.582 -10.186 1.00 0.00 H new ATOM 0 HG LEU A 20 11.055 -2.396 -7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.641 0.023 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.223 -0.676 -9.726 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.498 -0.287 -9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.296 -1.333 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.103 -1.695 -7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.897 -3.022 -7.027 1.00 0.00 H new ATOM 359 N ASN B 24 14.366 5.986 -0.453 1.00 0.00 N ATOM 360 CA ASN B 24 13.281 6.907 -0.771 1.00 0.00 C ATOM 361 C ASN B 24 12.046 6.151 -1.250 1.00 0.00 C ATOM 362 O ASN B 24 11.990 5.698 -2.394 1.00 0.00 O ATOM 363 CB ASN B 24 13.730 7.906 -1.840 1.00 0.00 C ATOM 364 CG ASN B 24 13.185 9.299 -1.596 1.00 0.00 C ATOM 365 OD1 ASN B 24 12.387 9.813 -2.381 1.00 0.00 O ATOM 366 ND2 ASN B 24 13.614 9.919 -0.503 1.00 0.00 N ATOM 0 HA ASN B 24 13.021 7.450 0.138 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.819 7.944 -1.863 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.402 7.557 -2.819 1.00 0.00 H new ATOM 0 HD21 ASN B 24 13.282 10.859 -0.286 1.00 0.00 H new ATOM 0 HD22 ASN B 24 14.276 9.455 0.120 1.00 0.00 H new ATOM 373 N PHE B 25 11.062 6.016 -0.368 1.00 0.00 N ATOM 374 CA PHE B 25 9.828 5.313 -0.701 1.00 0.00 C ATOM 375 C PHE B 25 8.631 5.963 -0.010 1.00 0.00 C ATOM 376 O PHE B 25 8.660 6.218 1.195 1.00 0.00 O ATOM 377 CB PHE B 25 9.950 3.832 -0.308 1.00 0.00 C ATOM 378 CG PHE B 25 8.666 3.205 0.166 1.00 0.00 C ATOM 379 CD1 PHE B 25 8.274 3.318 1.490 1.00 0.00 C ATOM 380 CD2 PHE B 25 7.857 2.500 -0.710 1.00 0.00 C ATOM 381 CE1 PHE B 25 7.099 2.742 1.931 1.00 0.00 C ATOM 382 CE2 PHE B 25 6.680 1.920 -0.274 1.00 0.00 C ATOM 383 CZ PHE B 25 6.302 2.042 1.049 1.00 0.00 C ATOM 0 H PHE B 25 11.094 6.384 0.583 1.00 0.00 H new ATOM 0 HA PHE B 25 9.665 5.377 -1.777 1.00 0.00 H new ATOM 0 HB2 PHE B 25 10.319 3.270 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE B 25 10.698 3.738 0.479 1.00 0.00 H new ATOM 0 HD1 PHE B 25 8.895 3.863 2.186 1.00 0.00 H new ATOM 0 HD2 PHE B 25 8.149 2.402 -1.745 1.00 0.00 H new ATOM 0 HE1 PHE B 25 6.804 2.839 2.965 1.00 0.00 H new ATOM 0 HE2 PHE B 25 6.058 1.373 -0.966 1.00 0.00 H new ATOM 0 HZ PHE B 25 5.383 1.590 1.393 1.00 0.00 H new ATOM 393 N LEU B 26 7.583 6.231 -0.781 1.00 0.00 N ATOM 394 CA LEU B 26 6.377 6.852 -0.245 1.00 0.00 C ATOM 395 C LEU B 26 5.130 6.074 -0.656 1.00 0.00 C ATOM 396 O LEU B 26 4.819 5.962 -1.842 1.00 0.00 O ATOM 397 CB LEU B 26 6.267 8.300 -0.729 1.00 0.00 C ATOM 398 CG LEU B 26 7.377 9.233 -0.242 1.00 0.00 C ATOM 399 CD1 LEU B 26 8.689 8.910 -0.939 1.00 0.00 C ATOM 400 CD2 LEU B 26 6.988 10.685 -0.473 1.00 0.00 C ATOM 0 H LEU B 26 7.544 6.028 -1.780 1.00 0.00 H new ATOM 0 HA LEU B 26 6.448 6.840 0.843 1.00 0.00 H new ATOM 0 HB2 LEU B 26 6.263 8.303 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.307 8.703 -0.406 1.00 0.00 H new ATOM 0 HG LEU B 26 7.514 9.080 0.829 1.00 0.00 H new ATOM 0 HD11 LEU B 26 9.467 9.584 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU B 26 8.972 7.880 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU B 26 8.569 9.034 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU B 26 7.788 11.336 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU B 26 6.825 10.853 -1.538 1.00 0.00 H new ATOM 0 HD23 LEU B 26 6.072 10.908 0.074 1.00 0.00 H new ATOM 412 N ASN B 27 4.416 5.545 0.333 1.00 0.00 N ATOM 413 CA ASN B 27 3.198 4.784 0.073 1.00 0.00 C ATOM 414 C ASN B 27 1.964 5.604 0.435 1.00 0.00 C ATOM 415 O ASN B 27 1.472 5.541 1.562 1.00 0.00 O ATOM 416 CB ASN B 27 3.207 3.473 0.865 1.00 0.00 C ATOM 417 CG ASN B 27 1.953 2.650 0.644 1.00 0.00 C ATOM 418 OD1 ASN B 27 1.958 1.680 -0.115 1.00 0.00 O ATOM 419 ND2 ASN B 27 0.868 3.034 1.306 1.00 0.00 N ATOM 0 H ASN B 27 4.659 5.629 1.320 1.00 0.00 H new ATOM 0 HA ASN B 27 3.162 4.552 -0.991 1.00 0.00 H new ATOM 0 HB2 ASN B 27 4.079 2.885 0.577 1.00 0.00 H new ATOM 0 HB3 ASN B 27 3.309 3.695 1.927 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -0.006 2.519 1.196 1.00 0.00 H new ATOM 0 HD22 ASN B 27 0.908 3.844 1.925 1.00 0.00 H new ATOM 426 N CYS B 28 1.470 6.377 -0.528 1.00 0.00 N ATOM 427 CA CYS B 28 0.295 7.212 -0.309 1.00 0.00 C ATOM 428 C CYS B 28 -0.970 6.513 -0.798 1.00 0.00 C ATOM 429 O CYS B 28 -1.189 6.371 -2.000 1.00 0.00 O ATOM 430 CB CYS B 28 0.458 8.553 -1.025 1.00 0.00 C ATOM 431 SG CYS B 28 -0.815 9.769 -0.612 1.00 0.00 S ATOM 0 H CYS B 28 1.865 6.442 -1.466 1.00 0.00 H new ATOM 0 HA CYS B 28 0.200 7.387 0.763 1.00 0.00 H new ATOM 0 HB2 CYS B 28 1.435 8.968 -0.779 1.00 0.00 H new ATOM 0 HB3 CYS B 28 0.446 8.382 -2.101 1.00 0.00 H new ATOM 0 HG CYS B 28 -0.591 10.871 -1.265 1.00 0.00 H new ATOM 437 N TYR B 29 -1.802 6.083 0.145 1.00 0.00 N ATOM 438 CA TYR B 29 -3.049 5.404 -0.185 1.00 0.00 C ATOM 439 C TYR B 29 -4.196 5.939 0.666 1.00 0.00 C ATOM 440 O TYR B 29 -4.102 5.984 1.892 1.00 0.00 O ATOM 441 CB TYR B 29 -2.902 3.893 0.021 1.00 0.00 C ATOM 442 CG TYR B 29 -4.149 3.104 -0.323 1.00 0.00 C ATOM 443 CD1 TYR B 29 -5.054 3.571 -1.271 1.00 0.00 C ATOM 444 CD2 TYR B 29 -4.419 1.892 0.299 1.00 0.00 C ATOM 445 CE1 TYR B 29 -6.191 2.850 -1.587 1.00 0.00 C ATOM 446 CE2 TYR B 29 -5.553 1.166 -0.013 1.00 0.00 C ATOM 447 CZ TYR B 29 -6.436 1.648 -0.956 1.00 0.00 C ATOM 448 OH TYR B 29 -7.565 0.928 -1.268 1.00 0.00 O ATOM 0 H TYR B 29 -1.634 6.193 1.145 1.00 0.00 H new ATOM 0 HA TYR B 29 -3.276 5.598 -1.233 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -2.075 3.531 -0.590 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -2.638 3.702 1.061 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -4.866 4.511 -1.768 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -3.731 1.510 1.039 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -6.884 3.226 -2.325 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -5.747 0.225 0.480 1.00 0.00 H new ATOM 0 HH TYR B 29 -7.770 0.308 -0.537 1.00 0.00 H new ATOM 458 N VAL B 30 -5.276 6.350 0.009 1.00 0.00 N ATOM 459 CA VAL B 30 -6.433 6.888 0.713 1.00 0.00 C ATOM 460 C VAL B 30 -7.739 6.456 0.051 1.00 0.00 C ATOM 461 O VAL B 30 -7.778 6.167 -1.146 1.00 0.00 O ATOM 462 CB VAL B 30 -6.383 8.427 0.777 1.00 0.00 C ATOM 463 CG1 VAL B 30 -6.346 9.021 -0.622 1.00 0.00 C ATOM 464 CG2 VAL B 30 -7.566 8.973 1.564 1.00 0.00 C ATOM 0 H VAL B 30 -5.373 6.321 -1.006 1.00 0.00 H new ATOM 0 HA VAL B 30 -6.399 6.487 1.726 1.00 0.00 H new ATOM 0 HB VAL B 30 -5.469 8.717 1.295 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -6.311 10.108 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -5.461 8.661 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -7.240 8.720 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -7.510 10.061 1.596 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -8.495 8.671 1.080 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -7.541 8.578 2.580 1.00 0.00 H new ATOM 474 N SER B 31 -8.809 6.420 0.845 1.00 0.00 N ATOM 475 CA SER B 31 -10.127 6.028 0.350 1.00 0.00 C ATOM 476 C SER B 31 -10.204 4.523 0.123 1.00 0.00 C ATOM 477 O SER B 31 -9.181 3.855 -0.040 1.00 0.00 O ATOM 478 CB SER B 31 -10.458 6.770 -0.947 1.00 0.00 C ATOM 479 OG SER B 31 -11.856 6.789 -1.181 1.00 0.00 O ATOM 0 H SER B 31 -8.788 6.658 1.837 1.00 0.00 H new ATOM 0 HA SER B 31 -10.860 6.299 1.110 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.081 7.791 -0.892 1.00 0.00 H new ATOM 0 HB3 SER B 31 -9.952 6.289 -1.784 1.00 0.00 H new ATOM 0 HG SER B 31 -12.042 7.270 -2.014 1.00 0.00 H new ATOM 485 N GLY B 32 -11.424 3.994 0.115 1.00 0.00 N ATOM 486 CA GLY B 32 -11.618 2.570 -0.093 1.00 0.00 C ATOM 487 C GLY B 32 -12.549 2.276 -1.253 1.00 0.00 C ATOM 488 O GLY B 32 -12.872 3.168 -2.038 1.00 0.00 O ATOM 0 H GLY B 32 -12.283 4.527 0.249 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -10.653 2.098 -0.277 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -12.023 2.125 0.816 1.00 0.00 H new ATOM 492 N PHE B 33 -12.979 1.022 -1.364 1.00 0.00 N ATOM 493 CA PHE B 33 -13.876 0.615 -2.440 1.00 0.00 C ATOM 494 C PHE B 33 -14.226 -0.867 -2.329 1.00 0.00 C ATOM 495 O PHE B 33 -13.829 -1.540 -1.378 1.00 0.00 O ATOM 496 CB PHE B 33 -13.233 0.897 -3.799 1.00 0.00 C ATOM 497 CG PHE B 33 -11.902 0.224 -3.980 1.00 0.00 C ATOM 498 CD1 PHE B 33 -10.741 0.822 -3.520 1.00 0.00 C ATOM 499 CD2 PHE B 33 -11.815 -1.008 -4.608 1.00 0.00 C ATOM 500 CE1 PHE B 33 -9.515 0.204 -3.683 1.00 0.00 C ATOM 501 CE2 PHE B 33 -10.592 -1.631 -4.775 1.00 0.00 C ATOM 502 CZ PHE B 33 -9.441 -1.024 -4.312 1.00 0.00 C ATOM 0 H PHE B 33 -12.721 0.272 -0.723 1.00 0.00 H new ATOM 0 HA PHE B 33 -14.795 1.194 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -13.909 0.567 -4.588 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -13.107 1.973 -3.917 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -10.794 1.782 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -12.712 -1.487 -4.971 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.617 0.680 -3.319 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -10.537 -2.591 -5.267 1.00 0.00 H new ATOM 0 HZ PHE B 33 -8.485 -1.509 -4.441 1.00 0.00 H new ATOM 512 N HIS B 34 -14.970 -1.368 -3.311 1.00 0.00 N ATOM 513 CA HIS B 34 -15.372 -2.771 -3.330 1.00 0.00 C ATOM 514 C HIS B 34 -14.149 -3.687 -3.347 1.00 0.00 C ATOM 515 O HIS B 34 -13.033 -3.237 -3.605 1.00 0.00 O ATOM 516 CB HIS B 34 -16.250 -3.053 -4.551 1.00 0.00 C ATOM 517 CG HIS B 34 -17.303 -2.015 -4.788 1.00 0.00 C ATOM 518 ND1 HIS B 34 -17.950 -1.353 -3.766 1.00 0.00 N ATOM 519 CD2 HIS B 34 -17.821 -1.525 -5.939 1.00 0.00 C ATOM 520 CE1 HIS B 34 -18.822 -0.503 -4.279 1.00 0.00 C ATOM 521 NE2 HIS B 34 -18.762 -0.587 -5.595 1.00 0.00 N ATOM 0 H HIS B 34 -15.307 -0.823 -4.105 1.00 0.00 H new ATOM 0 HA HIS B 34 -15.943 -2.973 -2.424 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -15.616 -3.123 -5.435 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -16.731 -4.023 -4.426 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -17.545 -1.818 -6.941 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -19.473 0.150 -3.717 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -19.324 -0.043 -6.250 1.00 0.00 H new ATOM 530 N PRO B 35 -14.343 -4.988 -3.070 1.00 0.00 N ATOM 531 CA PRO B 35 -13.246 -5.962 -3.055 1.00 0.00 C ATOM 532 C PRO B 35 -12.414 -5.922 -4.333 1.00 0.00 C ATOM 533 O PRO B 35 -12.899 -5.514 -5.388 1.00 0.00 O ATOM 534 CB PRO B 35 -13.966 -7.306 -2.925 1.00 0.00 C ATOM 535 CG PRO B 35 -15.253 -6.979 -2.252 1.00 0.00 C ATOM 536 CD PRO B 35 -15.640 -5.613 -2.748 1.00 0.00 C ATOM 0 HA PRO B 35 -12.537 -5.764 -2.251 1.00 0.00 H new ATOM 0 HB2 PRO B 35 -14.134 -7.762 -3.901 1.00 0.00 H new ATOM 0 HB3 PRO B 35 -13.381 -8.014 -2.339 1.00 0.00 H new ATOM 0 HG2 PRO B 35 -16.019 -7.715 -2.495 1.00 0.00 H new ATOM 0 HG3 PRO B 35 -15.139 -6.984 -1.168 1.00 0.00 H new ATOM 0 HD2 PRO B 35 -16.287 -5.671 -3.624 1.00 0.00 H new ATOM 0 HD3 PRO B 35 -16.181 -5.048 -1.989 1.00 0.00 H new ATOM 544 N SER B 36 -11.159 -6.349 -4.227 1.00 0.00 N ATOM 545 CA SER B 36 -10.255 -6.366 -5.371 1.00 0.00 C ATOM 546 C SER B 36 -8.897 -6.938 -4.978 1.00 0.00 C ATOM 547 O SER B 36 -8.687 -7.329 -3.829 1.00 0.00 O ATOM 548 CB SER B 36 -10.082 -4.954 -5.937 1.00 0.00 C ATOM 549 OG SER B 36 -9.075 -4.242 -5.236 1.00 0.00 O ATOM 0 H SER B 36 -10.745 -6.688 -3.359 1.00 0.00 H new ATOM 0 HA SER B 36 -10.693 -7.004 -6.139 1.00 0.00 H new ATOM 0 HB2 SER B 36 -9.822 -5.012 -6.994 1.00 0.00 H new ATOM 0 HB3 SER B 36 -11.027 -4.414 -5.871 1.00 0.00 H new ATOM 0 HG SER B 36 -8.552 -3.706 -5.869 1.00 0.00 H new ATOM 555 N ASP B 37 -7.978 -6.986 -5.937 1.00 0.00 N ATOM 556 CA ASP B 37 -6.643 -7.514 -5.688 1.00 0.00 C ATOM 557 C ASP B 37 -5.574 -6.450 -5.914 1.00 0.00 C ATOM 558 O ASP B 37 -5.141 -6.216 -7.044 1.00 0.00 O ATOM 559 CB ASP B 37 -6.374 -8.725 -6.583 1.00 0.00 C ATOM 560 CG ASP B 37 -6.771 -10.032 -5.924 1.00 0.00 C ATOM 561 OD1 ASP B 37 -7.972 -10.374 -5.961 1.00 0.00 O ATOM 562 OD2 ASP B 37 -5.882 -10.712 -5.372 1.00 0.00 O ATOM 0 H ASP B 37 -8.134 -6.666 -6.893 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.597 -7.824 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -6.923 -8.611 -7.518 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -5.315 -8.757 -6.837 1.00 0.00 H new ATOM 567 N ILE B 38 -5.149 -5.812 -4.829 1.00 0.00 N ATOM 568 CA ILE B 38 -4.124 -4.778 -4.894 1.00 0.00 C ATOM 569 C ILE B 38 -2.757 -5.360 -4.542 1.00 0.00 C ATOM 570 O ILE B 38 -2.520 -5.761 -3.402 1.00 0.00 O ATOM 571 CB ILE B 38 -4.453 -3.609 -3.939 1.00 0.00 C ATOM 572 CG1 ILE B 38 -5.838 -3.042 -4.260 1.00 0.00 C ATOM 573 CG2 ILE B 38 -3.396 -2.519 -4.030 1.00 0.00 C ATOM 574 CD1 ILE B 38 -6.220 -1.850 -3.409 1.00 0.00 C ATOM 0 H ILE B 38 -5.501 -5.995 -3.889 1.00 0.00 H new ATOM 0 HA ILE B 38 -4.100 -4.396 -5.915 1.00 0.00 H new ATOM 0 HB ILE B 38 -4.456 -3.989 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -5.867 -2.752 -5.310 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -6.582 -3.827 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -3.651 -1.708 -3.348 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -2.424 -2.931 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.355 -2.137 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -7.213 -1.503 -3.694 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -6.224 -2.139 -2.358 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -5.498 -1.048 -3.562 1.00 0.00 H new ATOM 586 N GLU B 39 -1.865 -5.421 -5.529 1.00 0.00 N ATOM 587 CA GLU B 39 -0.530 -5.976 -5.315 1.00 0.00 C ATOM 588 C GLU B 39 0.555 -4.912 -5.457 1.00 0.00 C ATOM 589 O GLU B 39 0.839 -4.443 -6.560 1.00 0.00 O ATOM 590 CB GLU B 39 -0.270 -7.115 -6.301 1.00 0.00 C ATOM 591 CG GLU B 39 0.732 -8.142 -5.797 1.00 0.00 C ATOM 592 CD GLU B 39 0.304 -9.567 -6.088 1.00 0.00 C ATOM 593 OE1 GLU B 39 0.295 -9.952 -7.277 1.00 0.00 O ATOM 594 OE2 GLU B 39 -0.021 -10.297 -5.129 1.00 0.00 O ATOM 0 H GLU B 39 -2.041 -5.095 -6.479 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.493 -6.359 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.213 -7.617 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU B 39 0.093 -6.696 -7.239 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.701 -7.956 -6.260 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.863 -8.019 -4.722 1.00 0.00 H new ATOM 601 N VAL B 40 1.168 -4.544 -4.336 1.00 0.00 N ATOM 602 CA VAL B 40 2.231 -3.546 -4.337 1.00 0.00 C ATOM 603 C VAL B 40 3.527 -4.129 -3.781 1.00 0.00 C ATOM 604 O VAL B 40 3.556 -4.645 -2.664 1.00 0.00 O ATOM 605 CB VAL B 40 1.841 -2.305 -3.509 1.00 0.00 C ATOM 606 CG1 VAL B 40 2.910 -1.227 -3.622 1.00 0.00 C ATOM 607 CG2 VAL B 40 0.487 -1.770 -3.953 1.00 0.00 C ATOM 0 H VAL B 40 0.946 -4.922 -3.415 1.00 0.00 H new ATOM 0 HA VAL B 40 2.383 -3.245 -5.374 1.00 0.00 H new ATOM 0 HB VAL B 40 1.765 -2.600 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL B 40 2.616 -0.360 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL B 40 3.859 -1.615 -3.251 1.00 0.00 H new ATOM 0 HG13 VAL B 40 3.022 -0.933 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL B 40 0.229 -0.894 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL B 40 0.533 -1.492 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.272 -2.540 -3.814 1.00 0.00 H new ATOM 617 N ASP B 41 4.595 -4.042 -4.566 1.00 0.00 N ATOM 618 CA ASP B 41 5.892 -4.563 -4.150 1.00 0.00 C ATOM 619 C ASP B 41 7.017 -3.627 -4.580 1.00 0.00 C ATOM 620 O ASP B 41 7.179 -3.338 -5.765 1.00 0.00 O ATOM 621 CB ASP B 41 6.118 -5.957 -4.740 1.00 0.00 C ATOM 622 CG ASP B 41 7.268 -6.689 -4.075 1.00 0.00 C ATOM 623 OD1 ASP B 41 8.410 -6.189 -4.148 1.00 0.00 O ATOM 624 OD2 ASP B 41 7.026 -7.760 -3.482 1.00 0.00 O ATOM 0 H ASP B 41 4.588 -3.616 -5.493 1.00 0.00 H new ATOM 0 HA ASP B 41 5.897 -4.632 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP B 41 5.207 -6.545 -4.633 1.00 0.00 H new ATOM 0 HB3 ASP B 41 6.317 -5.868 -5.808 1.00 0.00 H new ATOM 629 N LEU B 42 7.790 -3.154 -3.608 1.00 0.00 N ATOM 630 CA LEU B 42 8.899 -2.248 -3.885 1.00 0.00 C ATOM 631 C LEU B 42 10.226 -2.858 -3.442 1.00 0.00 C ATOM 632 O LEU B 42 10.463 -3.052 -2.249 1.00 0.00 O ATOM 633 CB LEU B 42 8.685 -0.905 -3.178 1.00 0.00 C ATOM 634 CG LEU B 42 7.237 -0.407 -3.123 1.00 0.00 C ATOM 635 CD1 LEU B 42 6.594 -0.463 -4.501 1.00 0.00 C ATOM 636 CD2 LEU B 42 6.430 -1.220 -2.122 1.00 0.00 C ATOM 0 H LEU B 42 7.669 -3.383 -2.621 1.00 0.00 H new ATOM 0 HA LEU B 42 8.934 -2.083 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU B 42 9.060 -0.988 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU B 42 9.291 -0.150 -3.680 1.00 0.00 H new ATOM 0 HG LEU B 42 7.246 0.632 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU B 42 5.566 -0.105 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU B 42 7.156 0.167 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU B 42 6.598 -1.491 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.404 -0.852 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU B 42 6.432 -2.269 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU B 42 6.875 -1.123 -1.132 1.00 0.00 H new ATOM 648 N LEU B 43 11.088 -3.159 -4.409 1.00 0.00 N ATOM 649 CA LEU B 43 12.391 -3.746 -4.113 1.00 0.00 C ATOM 650 C LEU B 43 13.496 -3.047 -4.900 1.00 0.00 C ATOM 651 O LEU B 43 13.879 -3.493 -5.980 1.00 0.00 O ATOM 652 CB LEU B 43 12.388 -5.242 -4.438 1.00 0.00 C ATOM 653 CG LEU B 43 13.180 -6.117 -3.464 1.00 0.00 C ATOM 654 CD1 LEU B 43 12.256 -6.725 -2.419 1.00 0.00 C ATOM 655 CD2 LEU B 43 13.928 -7.209 -4.214 1.00 0.00 C ATOM 0 H LEU B 43 10.909 -3.007 -5.401 1.00 0.00 H new ATOM 0 HA LEU B 43 12.586 -3.612 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU B 43 11.356 -5.592 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU B 43 12.793 -5.382 -5.440 1.00 0.00 H new ATOM 0 HG LEU B 43 13.910 -5.488 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU B 43 12.837 -7.344 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU B 43 11.765 -5.928 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU B 43 11.503 -7.339 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU B 43 14.485 -7.821 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU B 43 13.216 -7.835 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU B 43 14.620 -6.755 -4.923 1.00 0.00 H new ATOM 667 N LYS B 44 14.005 -1.951 -4.347 1.00 0.00 N ATOM 668 CA LYS B 44 15.069 -1.192 -4.995 1.00 0.00 C ATOM 669 C LYS B 44 16.013 -0.587 -3.961 1.00 0.00 C ATOM 670 O LYS B 44 16.722 0.382 -4.304 1.00 0.00 O ATOM 671 CB LYS B 44 14.475 -0.084 -5.870 1.00 0.00 C ATOM 672 CG LYS B 44 14.267 -0.495 -7.318 1.00 0.00 C ATOM 673 CD LYS B 44 13.433 0.528 -8.072 1.00 0.00 C ATOM 674 CE LYS B 44 14.305 1.466 -8.890 1.00 0.00 C ATOM 675 NZ LYS B 44 15.369 2.098 -8.063 1.00 0.00 N ATOM 676 OXT LYS B 44 16.035 -1.088 -2.817 1.00 0.00 O ATOM 0 H LYS B 44 13.698 -1.569 -3.452 1.00 0.00 H new ATOM 0 HA LYS B 44 15.638 -1.877 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS B 44 13.519 0.226 -5.449 1.00 0.00 H new ATOM 0 HB3 LYS B 44 15.134 0.784 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS B 44 15.234 -0.610 -7.807 1.00 0.00 H new ATOM 0 HG3 LYS B 44 13.774 -1.466 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS B 44 12.733 0.014 -8.731 1.00 0.00 H new ATOM 0 HD3 LYS B 44 12.839 1.107 -7.365 1.00 0.00 H new ATOM 0 HE2 LYS B 44 14.763 0.913 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS B 44 13.684 2.242 -9.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 15.809 2.874 -8.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 14.951 2.473 -7.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 16.091 1.389 -7.825 1.00 0.00 H new ATOM 691 N SER C 45 15.567 2.694 4.882 1.00 0.00 N ATOM 692 CA SER C 45 16.036 3.686 3.879 1.00 0.00 C ATOM 693 C SER C 45 14.908 4.620 3.457 1.00 0.00 C ATOM 694 O SER C 45 14.357 4.492 2.364 1.00 0.00 O ATOM 695 CB SER C 45 16.580 2.929 2.665 1.00 0.00 C ATOM 696 OG SER C 45 17.354 1.812 3.064 1.00 0.00 O ATOM 0 HA SER C 45 16.820 4.301 4.322 1.00 0.00 H new ATOM 0 HB2 SER C 45 15.752 2.596 2.039 1.00 0.00 H new ATOM 0 HB3 SER C 45 17.189 3.599 2.058 1.00 0.00 H new ATOM 0 HG SER C 45 17.142 1.582 3.993 1.00 0.00 H new ATOM 704 N ASN C 46 14.566 5.561 4.332 1.00 0.00 N ATOM 705 CA ASN C 46 13.502 6.518 4.049 1.00 0.00 C ATOM 706 C ASN C 46 12.173 5.803 3.822 1.00 0.00 C ATOM 707 O ASN C 46 11.639 5.798 2.711 1.00 0.00 O ATOM 708 CB ASN C 46 13.862 7.363 2.825 1.00 0.00 C ATOM 709 CG ASN C 46 14.430 8.717 3.202 1.00 0.00 C ATOM 710 OD1 ASN C 46 13.714 9.719 3.225 1.00 0.00 O ATOM 711 ND2 ASN C 46 15.723 8.755 3.502 1.00 0.00 N ATOM 0 H ASN C 46 15.010 5.681 5.242 1.00 0.00 H new ATOM 0 HA ASN C 46 13.395 7.174 4.913 1.00 0.00 H new ATOM 0 HB2 ASN C 46 14.588 6.824 2.216 1.00 0.00 H new ATOM 0 HB3 ASN C 46 12.973 7.504 2.210 1.00 0.00 H new ATOM 0 HD21 ASN C 46 16.160 9.639 3.764 1.00 0.00 H new ATOM 0 HD22 ASN C 46 16.279 7.901 3.470 1.00 0.00 H new ATOM 718 N PHE C 47 11.643 5.200 4.882 1.00 0.00 N ATOM 719 CA PHE C 47 10.375 4.482 4.799 1.00 0.00 C ATOM 720 C PHE C 47 9.209 5.403 5.147 1.00 0.00 C ATOM 721 O PHE C 47 8.985 5.725 6.315 1.00 0.00 O ATOM 722 CB PHE C 47 10.393 3.267 5.736 1.00 0.00 C ATOM 723 CG PHE C 47 9.031 2.691 6.011 1.00 0.00 C ATOM 724 CD1 PHE C 47 8.192 2.331 4.969 1.00 0.00 C ATOM 725 CD2 PHE C 47 8.590 2.518 7.311 1.00 0.00 C ATOM 726 CE1 PHE C 47 6.937 1.809 5.222 1.00 0.00 C ATOM 727 CE2 PHE C 47 7.338 1.995 7.570 1.00 0.00 C ATOM 728 CZ PHE C 47 6.510 1.641 6.523 1.00 0.00 C ATOM 0 H PHE C 47 12.071 5.194 5.808 1.00 0.00 H new ATOM 0 HA PHE C 47 10.242 4.135 3.774 1.00 0.00 H new ATOM 0 HB2 PHE C 47 11.023 2.492 5.299 1.00 0.00 H new ATOM 0 HB3 PHE C 47 10.852 3.556 6.681 1.00 0.00 H new ATOM 0 HD1 PHE C 47 8.522 2.459 3.949 1.00 0.00 H new ATOM 0 HD2 PHE C 47 9.233 2.795 8.133 1.00 0.00 H new ATOM 0 HE1 PHE C 47 6.291 1.533 4.402 1.00 0.00 H new ATOM 0 HE2 PHE C 47 7.007 1.863 8.590 1.00 0.00 H new ATOM 0 HZ PHE C 47 5.530 1.233 6.722 1.00 0.00 H new ATOM 738 N LEU C 48 8.471 5.824 4.125 1.00 0.00 N ATOM 739 CA LEU C 48 7.330 6.709 4.317 1.00 0.00 C ATOM 740 C LEU C 48 6.029 6.026 3.905 1.00 0.00 C ATOM 741 O LEU C 48 5.714 5.929 2.719 1.00 0.00 O ATOM 742 CB LEU C 48 7.519 7.995 3.512 1.00 0.00 C ATOM 743 CG LEU C 48 6.845 9.234 4.106 1.00 0.00 C ATOM 744 CD1 LEU C 48 7.801 10.417 4.102 1.00 0.00 C ATOM 745 CD2 LEU C 48 5.576 9.572 3.337 1.00 0.00 C ATOM 0 H LEU C 48 8.644 5.565 3.154 1.00 0.00 H new ATOM 0 HA LEU C 48 7.268 6.953 5.377 1.00 0.00 H new ATOM 0 HB2 LEU C 48 8.587 8.192 3.415 1.00 0.00 H new ATOM 0 HB3 LEU C 48 7.132 7.836 2.506 1.00 0.00 H new ATOM 0 HG LEU C 48 6.574 9.015 5.139 1.00 0.00 H new ATOM 0 HD11 LEU C 48 7.304 11.288 4.528 1.00 0.00 H new ATOM 0 HD12 LEU C 48 8.682 10.175 4.697 1.00 0.00 H new ATOM 0 HD13 LEU C 48 8.104 10.637 3.078 1.00 0.00 H new ATOM 0 HD21 LEU C 48 5.110 10.456 3.774 1.00 0.00 H new ATOM 0 HD22 LEU C 48 5.824 9.770 2.294 1.00 0.00 H new ATOM 0 HD23 LEU C 48 4.883 8.732 3.391 1.00 0.00 H new ATOM 757 N ASN C 49 5.274 5.560 4.894 1.00 0.00 N ATOM 758 CA ASN C 49 4.003 4.891 4.637 1.00 0.00 C ATOM 759 C ASN C 49 2.849 5.686 5.241 1.00 0.00 C ATOM 760 O ASN C 49 2.763 5.845 6.459 1.00 0.00 O ATOM 761 CB ASN C 49 4.022 3.471 5.208 1.00 0.00 C ATOM 762 CG ASN C 49 2.704 2.746 5.010 1.00 0.00 C ATOM 763 OD1 ASN C 49 1.840 2.756 5.887 1.00 0.00 O ATOM 764 ND2 ASN C 49 2.544 2.113 3.854 1.00 0.00 N ATOM 0 H ASN C 49 5.520 5.633 5.881 1.00 0.00 H new ATOM 0 HA ASN C 49 3.858 4.832 3.558 1.00 0.00 H new ATOM 0 HB2 ASN C 49 4.821 2.902 4.732 1.00 0.00 H new ATOM 0 HB3 ASN C 49 4.253 3.514 6.272 1.00 0.00 H new ATOM 0 HD21 ASN C 49 1.678 1.608 3.664 1.00 0.00 H new ATOM 0 HD22 ASN C 49 3.287 2.131 3.155 1.00 0.00 H new ATOM 771 N CYS C 50 1.965 6.185 4.382 1.00 0.00 N ATOM 772 CA CYS C 50 0.820 6.964 4.833 1.00 0.00 C ATOM 773 C CYS C 50 -0.484 6.399 4.278 1.00 0.00 C ATOM 774 O CYS C 50 -0.619 6.193 3.071 1.00 0.00 O ATOM 775 CB CYS C 50 0.973 8.428 4.411 1.00 0.00 C ATOM 776 SG CYS C 50 1.526 8.651 2.704 1.00 0.00 S ATOM 0 H CYS C 50 2.021 6.063 3.371 1.00 0.00 H new ATOM 0 HA CYS C 50 0.784 6.906 5.921 1.00 0.00 H new ATOM 0 HB2 CYS C 50 0.016 8.934 4.541 1.00 0.00 H new ATOM 0 HB3 CYS C 50 1.684 8.915 5.078 1.00 0.00 H new ATOM 0 HG CYS C 50 1.704 7.488 2.150 1.00 0.00 H new ATOM 782 N TYR C 51 -1.441 6.152 5.166 1.00 0.00 N ATOM 783 CA TYR C 51 -2.736 5.613 4.768 1.00 0.00 C ATOM 784 C TYR C 51 -3.871 6.347 5.475 1.00 0.00 C ATOM 785 O TYR C 51 -3.917 6.403 6.703 1.00 0.00 O ATOM 786 CB TYR C 51 -2.811 4.117 5.080 1.00 0.00 C ATOM 787 CG TYR C 51 -4.124 3.479 4.682 1.00 0.00 C ATOM 788 CD1 TYR C 51 -4.526 3.445 3.354 1.00 0.00 C ATOM 789 CD2 TYR C 51 -4.962 2.914 5.636 1.00 0.00 C ATOM 790 CE1 TYR C 51 -5.725 2.866 2.986 1.00 0.00 C ATOM 791 CE2 TYR C 51 -6.162 2.332 5.275 1.00 0.00 C ATOM 792 CZ TYR C 51 -6.539 2.310 3.949 1.00 0.00 C ATOM 793 OH TYR C 51 -7.733 1.732 3.585 1.00 0.00 O ATOM 0 H TYR C 51 -1.344 6.317 6.168 1.00 0.00 H new ATOM 0 HA TYR C 51 -2.845 5.758 3.693 1.00 0.00 H new ATOM 0 HB2 TYR C 51 -1.998 3.606 4.565 1.00 0.00 H new ATOM 0 HB3 TYR C 51 -2.654 3.969 6.148 1.00 0.00 H new ATOM 0 HD1 TYR C 51 -3.891 3.878 2.596 1.00 0.00 H new ATOM 0 HD2 TYR C 51 -4.671 2.930 6.676 1.00 0.00 H new ATOM 0 HE1 TYR C 51 -6.023 2.849 1.948 1.00 0.00 H new ATOM 0 HE2 TYR C 51 -6.802 1.896 6.028 1.00 0.00 H new ATOM 0 HH TYR C 51 -7.630 1.287 2.718 1.00 0.00 H new ATOM 803 N VAL C 52 -4.785 6.910 4.688 1.00 0.00 N ATOM 804 CA VAL C 52 -5.918 7.643 5.239 1.00 0.00 C ATOM 805 C VAL C 52 -7.237 6.948 4.914 1.00 0.00 C ATOM 806 O VAL C 52 -7.497 6.590 3.764 1.00 0.00 O ATOM 807 CB VAL C 52 -5.966 9.086 4.703 1.00 0.00 C ATOM 808 CG1 VAL C 52 -7.036 9.890 5.425 1.00 0.00 C ATOM 809 CG2 VAL C 52 -4.605 9.750 4.841 1.00 0.00 C ATOM 0 H VAL C 52 -4.762 6.872 3.669 1.00 0.00 H new ATOM 0 HA VAL C 52 -5.782 7.668 6.320 1.00 0.00 H new ATOM 0 HB VAL C 52 -6.224 9.053 3.644 1.00 0.00 H new ATOM 0 HG11 VAL C 52 -7.054 10.907 5.032 1.00 0.00 H new ATOM 0 HG12 VAL C 52 -8.009 9.423 5.269 1.00 0.00 H new ATOM 0 HG13 VAL C 52 -6.813 9.917 6.492 1.00 0.00 H new ATOM 0 HG21 VAL C 52 -4.657 10.769 4.458 1.00 0.00 H new ATOM 0 HG22 VAL C 52 -4.316 9.772 5.892 1.00 0.00 H new ATOM 0 HG23 VAL C 52 -3.866 9.186 4.273 1.00 0.00 H new ATOM 819 N SER C 53 -8.067 6.759 5.938 1.00 0.00 N ATOM 820 CA SER C 53 -9.361 6.107 5.769 1.00 0.00 C ATOM 821 C SER C 53 -9.187 4.620 5.479 1.00 0.00 C ATOM 822 O SER C 53 -8.365 4.232 4.649 1.00 0.00 O ATOM 823 CB SER C 53 -10.156 6.769 4.640 1.00 0.00 C ATOM 824 OG SER C 53 -10.095 8.182 4.736 1.00 0.00 O ATOM 0 H SER C 53 -7.865 7.049 6.895 1.00 0.00 H new ATOM 0 HA SER C 53 -9.915 6.217 6.701 1.00 0.00 H new ATOM 0 HB2 SER C 53 -9.760 6.449 3.676 1.00 0.00 H new ATOM 0 HB3 SER C 53 -11.195 6.443 4.682 1.00 0.00 H new ATOM 0 HG SER C 53 -10.609 8.582 4.003 1.00 0.00 H new ATOM 830 N GLY C 54 -9.964 3.792 6.171 1.00 0.00 N ATOM 831 CA GLY C 54 -9.878 2.357 5.976 1.00 0.00 C ATOM 832 C GLY C 54 -11.132 1.777 5.351 1.00 0.00 C ATOM 833 O GLY C 54 -12.066 2.509 5.021 1.00 0.00 O ATOM 0 H GLY C 54 -10.651 4.090 6.863 1.00 0.00 H new ATOM 0 HA2 GLY C 54 -9.022 2.131 5.340 1.00 0.00 H new ATOM 0 HA3 GLY C 54 -9.698 1.874 6.936 1.00 0.00 H new ATOM 837 N PHE C 55 -11.155 0.458 5.190 1.00 0.00 N ATOM 838 CA PHE C 55 -12.303 -0.222 4.601 1.00 0.00 C ATOM 839 C PHE C 55 -12.413 -1.654 5.119 1.00 0.00 C ATOM 840 O PHE C 55 -11.520 -2.145 5.809 1.00 0.00 O ATOM 841 CB PHE C 55 -12.196 -0.227 3.074 1.00 0.00 C ATOM 842 CG PHE C 55 -10.813 -0.524 2.568 1.00 0.00 C ATOM 843 CD1 PHE C 55 -10.262 -1.786 2.714 1.00 0.00 C ATOM 844 CD2 PHE C 55 -10.064 0.461 1.942 1.00 0.00 C ATOM 845 CE1 PHE C 55 -8.991 -2.061 2.248 1.00 0.00 C ATOM 846 CE2 PHE C 55 -8.793 0.192 1.473 1.00 0.00 C ATOM 847 CZ PHE C 55 -8.255 -1.071 1.626 1.00 0.00 C ATOM 0 H PHE C 55 -10.391 -0.162 5.459 1.00 0.00 H new ATOM 0 HA PHE C 55 -13.202 0.322 4.892 1.00 0.00 H new ATOM 0 HB2 PHE C 55 -12.887 -0.968 2.672 1.00 0.00 H new ATOM 0 HB3 PHE C 55 -12.512 0.744 2.693 1.00 0.00 H new ATOM 0 HD1 PHE C 55 -10.833 -2.565 3.198 1.00 0.00 H new ATOM 0 HD2 PHE C 55 -10.479 1.450 1.820 1.00 0.00 H new ATOM 0 HE1 PHE C 55 -8.573 -3.049 2.370 1.00 0.00 H new ATOM 0 HE2 PHE C 55 -8.220 0.968 0.987 1.00 0.00 H new ATOM 0 HZ PHE C 55 -7.261 -1.284 1.260 1.00 0.00 H new ATOM 857 N HIS C 56 -13.515 -2.316 4.783 1.00 0.00 N ATOM 858 CA HIS C 56 -13.744 -3.690 5.217 1.00 0.00 C ATOM 859 C HIS C 56 -13.211 -4.691 4.190 1.00 0.00 C ATOM 860 O HIS C 56 -12.410 -5.563 4.524 1.00 0.00 O ATOM 861 CB HIS C 56 -15.238 -3.928 5.453 1.00 0.00 C ATOM 862 CG HIS C 56 -15.546 -4.529 6.789 1.00 0.00 C ATOM 863 ND1 HIS C 56 -15.394 -3.845 7.975 1.00 0.00 N ATOM 864 CD2 HIS C 56 -16.003 -5.759 7.123 1.00 0.00 C ATOM 865 CE1 HIS C 56 -15.744 -4.627 8.981 1.00 0.00 C ATOM 866 NE2 HIS C 56 -16.118 -5.794 8.490 1.00 0.00 N ATOM 0 H HIS C 56 -14.264 -1.924 4.212 1.00 0.00 H new ATOM 0 HA HIS C 56 -13.204 -3.842 6.152 1.00 0.00 H new ATOM 0 HB2 HIS C 56 -15.767 -2.980 5.360 1.00 0.00 H new ATOM 0 HB3 HIS C 56 -15.621 -4.585 4.672 1.00 0.00 H new ATOM 0 HD2 HIS C 56 -16.234 -6.563 6.440 1.00 0.00 H new ATOM 0 HE1 HIS C 56 -15.727 -4.357 10.027 1.00 0.00 H new ATOM 0 HE2 HIS C 56 -16.440 -6.592 9.038 1.00 0.00 H new ATOM 875 N PRO C 57 -13.654 -4.581 2.924 1.00 0.00 N ATOM 876 CA PRO C 57 -13.223 -5.481 1.858 1.00 0.00 C ATOM 877 C PRO C 57 -11.935 -5.017 1.183 1.00 0.00 C ATOM 878 O PRO C 57 -11.229 -4.152 1.701 1.00 0.00 O ATOM 879 CB PRO C 57 -14.394 -5.414 0.883 1.00 0.00 C ATOM 880 CG PRO C 57 -14.909 -4.018 1.015 1.00 0.00 C ATOM 881 CD PRO C 57 -14.616 -3.577 2.430 1.00 0.00 C ATOM 0 HA PRO C 57 -12.995 -6.483 2.223 1.00 0.00 H new ATOM 0 HB2 PRO C 57 -14.074 -5.624 -0.137 1.00 0.00 H new ATOM 0 HB3 PRO C 57 -15.162 -6.146 1.133 1.00 0.00 H new ATOM 0 HG2 PRO C 57 -14.424 -3.358 0.296 1.00 0.00 H new ATOM 0 HG3 PRO C 57 -15.979 -3.980 0.812 1.00 0.00 H new ATOM 0 HD2 PRO C 57 -14.193 -2.573 2.456 1.00 0.00 H new ATOM 0 HD3 PRO C 57 -15.521 -3.558 3.038 1.00 0.00 H new ATOM 889 N SER C 58 -11.639 -5.598 0.023 1.00 0.00 N ATOM 890 CA SER C 58 -10.440 -5.253 -0.738 1.00 0.00 C ATOM 891 C SER C 58 -9.201 -5.914 -0.145 1.00 0.00 C ATOM 892 O SER C 58 -9.120 -6.145 1.064 1.00 0.00 O ATOM 893 CB SER C 58 -10.247 -3.733 -0.794 1.00 0.00 C ATOM 894 OG SER C 58 -11.493 -3.060 -0.753 1.00 0.00 O ATOM 0 H SER C 58 -12.218 -6.315 -0.414 1.00 0.00 H new ATOM 0 HA SER C 58 -10.577 -5.627 -1.753 1.00 0.00 H new ATOM 0 HB2 SER C 58 -9.628 -3.411 0.043 1.00 0.00 H new ATOM 0 HB3 SER C 58 -9.714 -3.464 -1.706 1.00 0.00 H new ATOM 0 HG SER C 58 -11.932 -3.130 -1.627 1.00 0.00 H new ATOM 900 N ASP C 59 -8.236 -6.220 -1.007 1.00 0.00 N ATOM 901 CA ASP C 59 -6.998 -6.856 -0.577 1.00 0.00 C ATOM 902 C ASP C 59 -5.790 -6.018 -0.980 1.00 0.00 C ATOM 903 O ASP C 59 -5.576 -5.747 -2.161 1.00 0.00 O ATOM 904 CB ASP C 59 -6.885 -8.257 -1.181 1.00 0.00 C ATOM 905 CG ASP C 59 -7.938 -9.205 -0.641 1.00 0.00 C ATOM 906 OD1 ASP C 59 -8.959 -8.719 -0.111 1.00 0.00 O ATOM 907 OD2 ASP C 59 -7.742 -10.434 -0.749 1.00 0.00 O ATOM 0 H ASP C 59 -8.289 -6.037 -2.009 1.00 0.00 H new ATOM 0 HA ASP C 59 -7.017 -6.936 0.510 1.00 0.00 H new ATOM 0 HB2 ASP C 59 -6.980 -8.191 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP C 59 -5.894 -8.661 -0.972 1.00 0.00 H new ATOM 912 N ILE C 60 -5.000 -5.609 0.009 1.00 0.00 N ATOM 913 CA ILE C 60 -3.814 -4.801 -0.246 1.00 0.00 C ATOM 914 C ILE C 60 -2.574 -5.422 0.387 1.00 0.00 C ATOM 915 O ILE C 60 -2.433 -5.450 1.611 1.00 0.00 O ATOM 916 CB ILE C 60 -3.977 -3.360 0.280 1.00 0.00 C ATOM 917 CG1 ILE C 60 -4.580 -3.361 1.690 1.00 0.00 C ATOM 918 CG2 ILE C 60 -4.829 -2.536 -0.677 1.00 0.00 C ATOM 919 CD1 ILE C 60 -6.064 -3.667 1.728 1.00 0.00 C ATOM 0 H ILE C 60 -5.160 -5.824 0.993 1.00 0.00 H new ATOM 0 HA ILE C 60 -3.691 -4.769 -1.329 1.00 0.00 H new ATOM 0 HB ILE C 60 -2.990 -2.901 0.338 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.053 -4.096 2.299 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -4.409 -2.387 2.147 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -4.934 -1.522 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.349 -2.503 -1.655 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -5.815 -2.992 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.413 -3.648 2.760 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.605 -2.919 1.149 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.243 -4.654 1.302 1.00 0.00 H new ATOM 931 N GLU C 61 -1.676 -5.918 -0.457 1.00 0.00 N ATOM 932 CA GLU C 61 -0.444 -6.538 0.012 1.00 0.00 C ATOM 933 C GLU C 61 0.750 -5.623 -0.238 1.00 0.00 C ATOM 934 O GLU C 61 1.352 -5.649 -1.313 1.00 0.00 O ATOM 935 CB GLU C 61 -0.225 -7.883 -0.682 1.00 0.00 C ATOM 936 CG GLU C 61 1.010 -8.625 -0.198 1.00 0.00 C ATOM 937 CD GLU C 61 1.122 -10.016 -0.789 1.00 0.00 C ATOM 938 OE1 GLU C 61 0.070 -10.642 -1.039 1.00 0.00 O ATOM 939 OE2 GLU C 61 2.261 -10.482 -1.002 1.00 0.00 O ATOM 0 H GLU C 61 -1.779 -5.902 -1.472 1.00 0.00 H new ATOM 0 HA GLU C 61 -0.536 -6.705 1.085 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -1.101 -8.511 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -0.142 -7.718 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU C 61 1.899 -8.051 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU C 61 0.983 -8.697 0.889 1.00 0.00 H new ATOM 946 N VAL C 62 1.087 -4.816 0.761 1.00 0.00 N ATOM 947 CA VAL C 62 2.208 -3.893 0.655 1.00 0.00 C ATOM 948 C VAL C 62 3.497 -4.548 1.136 1.00 0.00 C ATOM 949 O VAL C 62 3.579 -5.026 2.267 1.00 0.00 O ATOM 950 CB VAL C 62 1.959 -2.612 1.474 1.00 0.00 C ATOM 951 CG1 VAL C 62 3.096 -1.619 1.278 1.00 0.00 C ATOM 952 CG2 VAL C 62 0.623 -1.989 1.096 1.00 0.00 C ATOM 0 H VAL C 62 0.598 -4.783 1.655 1.00 0.00 H new ATOM 0 HA VAL C 62 2.306 -3.627 -0.398 1.00 0.00 H new ATOM 0 HB VAL C 62 1.923 -2.880 2.530 1.00 0.00 H new ATOM 0 HG11 VAL C 62 2.901 -0.722 1.865 1.00 0.00 H new ATOM 0 HG12 VAL C 62 4.033 -2.070 1.605 1.00 0.00 H new ATOM 0 HG13 VAL C 62 3.170 -1.354 0.223 1.00 0.00 H new ATOM 0 HG21 VAL C 62 0.464 -1.085 1.684 1.00 0.00 H new ATOM 0 HG22 VAL C 62 0.627 -1.736 0.036 1.00 0.00 H new ATOM 0 HG23 VAL C 62 -0.179 -2.699 1.297 1.00 0.00 H new ATOM 962 N ASP C 63 4.503 -4.573 0.268 1.00 0.00 N ATOM 963 CA ASP C 63 5.785 -5.175 0.608 1.00 0.00 C ATOM 964 C ASP C 63 6.944 -4.272 0.196 1.00 0.00 C ATOM 965 O ASP C 63 7.066 -3.893 -0.968 1.00 0.00 O ATOM 966 CB ASP C 63 5.924 -6.541 -0.067 1.00 0.00 C ATOM 967 CG ASP C 63 5.062 -7.601 0.590 1.00 0.00 C ATOM 968 OD1 ASP C 63 3.994 -7.247 1.132 1.00 0.00 O ATOM 969 OD2 ASP C 63 5.455 -8.787 0.562 1.00 0.00 O ATOM 0 H ASP C 63 4.455 -4.184 -0.674 1.00 0.00 H new ATOM 0 HA ASP C 63 5.819 -5.304 1.690 1.00 0.00 H new ATOM 0 HB2 ASP C 63 5.649 -6.453 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP C 63 6.968 -6.854 -0.035 1.00 0.00 H new ATOM 974 N LEU C 64 7.793 -3.936 1.162 1.00 0.00 N ATOM 975 CA LEU C 64 8.946 -3.081 0.903 1.00 0.00 C ATOM 976 C LEU C 64 10.188 -3.635 1.594 1.00 0.00 C ATOM 977 O LEU C 64 10.218 -3.782 2.817 1.00 0.00 O ATOM 978 CB LEU C 64 8.679 -1.643 1.368 1.00 0.00 C ATOM 979 CG LEU C 64 7.454 -1.451 2.269 1.00 0.00 C ATOM 980 CD1 LEU C 64 7.469 -0.066 2.898 1.00 0.00 C ATOM 981 CD2 LEU C 64 6.170 -1.668 1.479 1.00 0.00 C ATOM 0 H LEU C 64 7.704 -4.243 2.131 1.00 0.00 H new ATOM 0 HA LEU C 64 9.119 -3.067 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU C 64 9.559 -1.284 1.902 1.00 0.00 H new ATOM 0 HB3 LEU C 64 8.561 -1.012 0.487 1.00 0.00 H new ATOM 0 HG LEU C 64 7.493 -2.192 3.068 1.00 0.00 H new ATOM 0 HD11 LEU C 64 6.592 0.054 3.535 1.00 0.00 H new ATOM 0 HD12 LEU C 64 8.372 0.052 3.497 1.00 0.00 H new ATOM 0 HD13 LEU C 64 7.454 0.690 2.113 1.00 0.00 H new ATOM 0 HD21 LEU C 64 5.311 -1.528 2.135 1.00 0.00 H new ATOM 0 HD22 LEU C 64 6.122 -0.951 0.659 1.00 0.00 H new ATOM 0 HD23 LEU C 64 6.157 -2.681 1.076 1.00 0.00 H new ATOM 993 N LEU C 65 11.208 -3.947 0.801 1.00 0.00 N ATOM 994 CA LEU C 65 12.454 -4.494 1.331 1.00 0.00 C ATOM 995 C LEU C 65 13.063 -3.581 2.397 1.00 0.00 C ATOM 996 O LEU C 65 13.871 -4.024 3.212 1.00 0.00 O ATOM 997 CB LEU C 65 13.454 -4.755 0.191 1.00 0.00 C ATOM 998 CG LEU C 65 14.381 -3.590 -0.192 1.00 0.00 C ATOM 999 CD1 LEU C 65 13.605 -2.288 -0.317 1.00 0.00 C ATOM 1000 CD2 LEU C 65 15.509 -3.450 0.821 1.00 0.00 C ATOM 0 H LEU C 65 11.197 -3.831 -0.212 1.00 0.00 H new ATOM 0 HA LEU C 65 12.223 -5.444 1.813 1.00 0.00 H new ATOM 0 HB2 LEU C 65 14.075 -5.606 0.471 1.00 0.00 H new ATOM 0 HB3 LEU C 65 12.891 -5.048 -0.695 1.00 0.00 H new ATOM 0 HG LEU C 65 14.817 -3.813 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU C 65 14.287 -1.482 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU C 65 12.841 -2.392 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU C 65 13.130 -2.055 0.636 1.00 0.00 H new ATOM 0 HD21 LEU C 65 16.155 -2.620 0.534 1.00 0.00 H new ATOM 0 HD22 LEU C 65 15.089 -3.258 1.809 1.00 0.00 H new ATOM 0 HD23 LEU C 65 16.091 -4.371 0.847 1.00 0.00 H new ATOM 1012 N LYS C 66 12.672 -2.309 2.391 1.00 0.00 N ATOM 1013 CA LYS C 66 13.187 -1.352 3.365 1.00 0.00 C ATOM 1014 C LYS C 66 12.138 -1.039 4.428 1.00 0.00 C ATOM 1015 O LYS C 66 12.486 -0.366 5.421 1.00 0.00 O ATOM 1016 CB LYS C 66 13.626 -0.062 2.668 1.00 0.00 C ATOM 1017 CG LYS C 66 12.477 0.722 2.053 1.00 0.00 C ATOM 1018 CD LYS C 66 12.764 1.095 0.608 1.00 0.00 C ATOM 1019 CE LYS C 66 11.496 1.087 -0.230 1.00 0.00 C ATOM 1020 NZ LYS C 66 11.067 -0.296 -0.571 1.00 0.00 N ATOM 1021 OXT LYS C 66 10.978 -1.469 4.258 1.00 0.00 O ATOM 0 H LYS C 66 12.004 -1.919 1.726 1.00 0.00 H new ATOM 0 HA LYS C 66 14.051 -1.802 3.854 1.00 0.00 H new ATOM 0 HB2 LYS C 66 14.142 0.572 3.389 1.00 0.00 H new ATOM 0 HB3 LYS C 66 14.345 -0.308 1.887 1.00 0.00 H new ATOM 0 HG2 LYS C 66 11.564 0.129 2.102 1.00 0.00 H new ATOM 0 HG3 LYS C 66 12.301 1.627 2.635 1.00 0.00 H new ATOM 0 HD2 LYS C 66 13.221 2.084 0.570 1.00 0.00 H new ATOM 0 HD3 LYS C 66 13.485 0.395 0.186 1.00 0.00 H new ATOM 0 HE2 LYS C 66 10.698 1.591 0.314 1.00 0.00 H new ATOM 0 HE3 LYS C 66 11.663 1.652 -1.147 1.00 0.00 H new ATOM 0 HZ1 LYS C 66 10.035 -0.317 -0.701 1.00 0.00 H new ATOM 0 HZ2 LYS C 66 11.533 -0.597 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS C 66 11.332 -0.942 0.200 1.00 0.00 H new ATOM 1036 N SER D 67 12.412 9.292 12.090 1.00 0.00 N ATOM 1037 CA SER D 67 12.179 9.785 10.708 1.00 0.00 C ATOM 1038 C SER D 67 12.204 8.639 9.701 1.00 0.00 C ATOM 1039 O SER D 67 11.451 8.640 8.727 1.00 0.00 O ATOM 1040 CB SER D 67 13.263 10.811 10.368 1.00 0.00 C ATOM 1041 OG SER D 67 12.723 11.902 9.640 1.00 0.00 O ATOM 0 HA SER D 67 11.193 10.247 10.654 1.00 0.00 H new ATOM 0 HB2 SER D 67 13.724 11.175 11.286 1.00 0.00 H new ATOM 0 HB3 SER D 67 14.050 10.334 9.784 1.00 0.00 H new ATOM 0 HG SER D 67 13.435 12.544 9.437 1.00 0.00 H new ATOM 1049 N ASN D 68 13.075 7.664 9.943 1.00 0.00 N ATOM 1050 CA ASN D 68 13.196 6.513 9.057 1.00 0.00 C ATOM 1051 C ASN D 68 11.893 5.722 9.010 1.00 0.00 C ATOM 1052 O ASN D 68 11.407 5.370 7.934 1.00 0.00 O ATOM 1053 CB ASN D 68 14.340 5.607 9.517 1.00 0.00 C ATOM 1054 CG ASN D 68 15.616 6.380 9.792 1.00 0.00 C ATOM 1055 OD1 ASN D 68 16.321 6.111 10.764 1.00 0.00 O ATOM 1056 ND2 ASN D 68 15.918 7.348 8.934 1.00 0.00 N ATOM 0 H ASN D 68 13.706 7.649 10.744 1.00 0.00 H new ATOM 0 HA ASN D 68 13.413 6.880 8.054 1.00 0.00 H new ATOM 0 HB2 ASN D 68 14.039 5.076 10.420 1.00 0.00 H new ATOM 0 HB3 ASN D 68 14.532 4.853 8.753 1.00 0.00 H new ATOM 0 HD21 ASN D 68 16.764 7.903 9.068 1.00 0.00 H new ATOM 0 HD22 ASN D 68 15.304 7.537 8.141 1.00 0.00 H new ATOM 1063 N PHE D 69 11.333 5.445 10.183 1.00 0.00 N ATOM 1064 CA PHE D 69 10.085 4.695 10.278 1.00 0.00 C ATOM 1065 C PHE D 69 8.887 5.640 10.301 1.00 0.00 C ATOM 1066 O PHE D 69 8.653 6.339 11.288 1.00 0.00 O ATOM 1067 CB PHE D 69 10.087 3.818 11.535 1.00 0.00 C ATOM 1068 CG PHE D 69 8.777 3.122 11.789 1.00 0.00 C ATOM 1069 CD1 PHE D 69 8.227 2.281 10.836 1.00 0.00 C ATOM 1070 CD2 PHE D 69 8.097 3.315 12.980 1.00 0.00 C ATOM 1071 CE1 PHE D 69 7.023 1.643 11.067 1.00 0.00 C ATOM 1072 CE2 PHE D 69 6.892 2.680 13.217 1.00 0.00 C ATOM 1073 CZ PHE D 69 6.355 1.843 12.259 1.00 0.00 C ATOM 0 H PHE D 69 11.724 5.729 11.082 1.00 0.00 H new ATOM 0 HA PHE D 69 10.003 4.055 9.400 1.00 0.00 H new ATOM 0 HB2 PHE D 69 10.874 3.070 11.444 1.00 0.00 H new ATOM 0 HB3 PHE D 69 10.333 4.436 12.398 1.00 0.00 H new ATOM 0 HD1 PHE D 69 8.745 2.122 9.902 1.00 0.00 H new ATOM 0 HD2 PHE D 69 8.513 3.969 13.732 1.00 0.00 H new ATOM 0 HE1 PHE D 69 6.605 0.989 10.316 1.00 0.00 H new ATOM 0 HE2 PHE D 69 6.372 2.838 14.150 1.00 0.00 H new ATOM 0 HZ PHE D 69 5.414 1.346 12.442 1.00 0.00 H new ATOM 1083 N LEU D 70 8.129 5.657 9.208 1.00 0.00 N ATOM 1084 CA LEU D 70 6.955 6.517 9.107 1.00 0.00 C ATOM 1085 C LEU D 70 5.736 5.727 8.639 1.00 0.00 C ATOM 1086 O LEU D 70 5.358 5.786 7.470 1.00 0.00 O ATOM 1087 CB LEU D 70 7.232 7.677 8.147 1.00 0.00 C ATOM 1088 CG LEU D 70 7.617 8.997 8.817 1.00 0.00 C ATOM 1089 CD1 LEU D 70 8.735 8.782 9.825 1.00 0.00 C ATOM 1090 CD2 LEU D 70 8.031 10.022 7.772 1.00 0.00 C ATOM 0 H LEU D 70 8.307 5.086 8.382 1.00 0.00 H new ATOM 0 HA LEU D 70 6.741 6.918 10.098 1.00 0.00 H new ATOM 0 HB2 LEU D 70 8.034 7.384 7.470 1.00 0.00 H new ATOM 0 HB3 LEU D 70 6.344 7.843 7.537 1.00 0.00 H new ATOM 0 HG LEU D 70 6.746 9.378 9.350 1.00 0.00 H new ATOM 0 HD11 LEU D 70 8.994 9.733 10.290 1.00 0.00 H new ATOM 0 HD12 LEU D 70 8.404 8.082 10.592 1.00 0.00 H new ATOM 0 HD13 LEU D 70 9.610 8.377 9.317 1.00 0.00 H new ATOM 0 HD21 LEU D 70 8.302 10.956 8.265 1.00 0.00 H new ATOM 0 HD22 LEU D 70 8.887 9.646 7.212 1.00 0.00 H new ATOM 0 HD23 LEU D 70 7.201 10.200 7.088 1.00 0.00 H new ATOM 1102 N ASN D 71 5.122 4.989 9.561 1.00 0.00 N ATOM 1103 CA ASN D 71 3.942 4.192 9.241 1.00 0.00 C ATOM 1104 C ASN D 71 2.664 4.982 9.511 1.00 0.00 C ATOM 1105 O ASN D 71 1.730 4.478 10.135 1.00 0.00 O ATOM 1106 CB ASN D 71 3.937 2.895 10.055 1.00 0.00 C ATOM 1107 CG ASN D 71 3.783 3.146 11.543 1.00 0.00 C ATOM 1108 OD1 ASN D 71 4.473 3.990 12.116 1.00 0.00 O ATOM 1109 ND2 ASN D 71 2.875 2.415 12.177 1.00 0.00 N ATOM 0 H ASN D 71 5.422 4.927 10.534 1.00 0.00 H new ATOM 0 HA ASN D 71 3.979 3.944 8.180 1.00 0.00 H new ATOM 0 HB2 ASN D 71 3.123 2.257 9.711 1.00 0.00 H new ATOM 0 HB3 ASN D 71 4.865 2.353 9.875 1.00 0.00 H new ATOM 0 HD21 ASN D 71 2.727 2.541 13.178 1.00 0.00 H new ATOM 0 HD22 ASN D 71 2.325 1.727 11.663 1.00 0.00 H new ATOM 1116 N CYS D 72 2.632 6.228 9.037 1.00 0.00 N ATOM 1117 CA CYS D 72 1.470 7.094 9.224 1.00 0.00 C ATOM 1118 C CYS D 72 0.180 6.350 8.897 1.00 0.00 C ATOM 1119 O CYS D 72 -0.208 6.240 7.734 1.00 0.00 O ATOM 1120 CB CYS D 72 1.592 8.342 8.348 1.00 0.00 C ATOM 1121 SG CYS D 72 0.221 9.507 8.528 1.00 0.00 S ATOM 0 H CYS D 72 3.399 6.659 8.521 1.00 0.00 H new ATOM 0 HA CYS D 72 1.437 7.397 10.271 1.00 0.00 H new ATOM 0 HB2 CYS D 72 2.524 8.853 8.591 1.00 0.00 H new ATOM 0 HB3 CYS D 72 1.659 8.035 7.304 1.00 0.00 H new ATOM 0 HG CYS D 72 0.416 10.530 7.749 1.00 0.00 H new ATOM 1127 N TYR D 73 -0.473 5.830 9.928 1.00 0.00 N ATOM 1128 CA TYR D 73 -1.710 5.084 9.743 1.00 0.00 C ATOM 1129 C TYR D 73 -2.863 5.719 10.507 1.00 0.00 C ATOM 1130 O TYR D 73 -2.743 6.032 11.692 1.00 0.00 O ATOM 1131 CB TYR D 73 -1.518 3.637 10.191 1.00 0.00 C ATOM 1132 CG TYR D 73 -1.230 2.695 9.048 1.00 0.00 C ATOM 1133 CD1 TYR D 73 -2.169 2.489 8.046 1.00 0.00 C ATOM 1134 CD2 TYR D 73 -0.022 2.015 8.966 1.00 0.00 C ATOM 1135 CE1 TYR D 73 -1.913 1.630 6.994 1.00 0.00 C ATOM 1136 CE2 TYR D 73 0.243 1.155 7.917 1.00 0.00 C ATOM 1137 CZ TYR D 73 -0.707 0.966 6.935 1.00 0.00 C ATOM 1138 OH TYR D 73 -0.447 0.110 5.889 1.00 0.00 O ATOM 0 H TYR D 73 -0.168 5.911 10.898 1.00 0.00 H new ATOM 0 HA TYR D 73 -1.960 5.105 8.682 1.00 0.00 H new ATOM 0 HB2 TYR D 73 -0.698 3.591 10.907 1.00 0.00 H new ATOM 0 HB3 TYR D 73 -2.415 3.302 10.712 1.00 0.00 H new ATOM 0 HD1 TYR D 73 -3.115 3.009 8.089 1.00 0.00 H new ATOM 0 HD2 TYR D 73 0.723 2.161 9.735 1.00 0.00 H new ATOM 0 HE1 TYR D 73 -2.654 1.480 6.223 1.00 0.00 H new ATOM 0 HE2 TYR D 73 1.188 0.634 7.867 1.00 0.00 H new ATOM 0 HH TYR D 73 0.353 0.412 5.410 1.00 0.00 H new ATOM 1148 N VAL D 74 -3.986 5.898 9.819 1.00 0.00 N ATOM 1149 CA VAL D 74 -5.170 6.487 10.430 1.00 0.00 C ATOM 1150 C VAL D 74 -6.442 5.867 9.864 1.00 0.00 C ATOM 1151 O VAL D 74 -7.001 6.355 8.880 1.00 0.00 O ATOM 1152 CB VAL D 74 -5.214 8.012 10.220 1.00 0.00 C ATOM 1153 CG1 VAL D 74 -4.179 8.701 11.095 1.00 0.00 C ATOM 1154 CG2 VAL D 74 -5.001 8.357 8.755 1.00 0.00 C ATOM 0 H VAL D 74 -4.100 5.643 8.838 1.00 0.00 H new ATOM 0 HA VAL D 74 -5.112 6.281 11.499 1.00 0.00 H new ATOM 0 HB VAL D 74 -6.200 8.372 10.512 1.00 0.00 H new ATOM 0 HG11 VAL D 74 -4.225 9.778 10.933 1.00 0.00 H new ATOM 0 HG12 VAL D 74 -4.385 8.482 12.143 1.00 0.00 H new ATOM 0 HG13 VAL D 74 -3.184 8.337 10.837 1.00 0.00 H new ATOM 0 HG21 VAL D 74 -5.036 9.439 8.627 1.00 0.00 H new ATOM 0 HG22 VAL D 74 -4.029 7.984 8.431 1.00 0.00 H new ATOM 0 HG23 VAL D 74 -5.785 7.896 8.155 1.00 0.00 H new ATOM 1164 N SER D 75 -6.893 4.786 10.492 1.00 0.00 N ATOM 1165 CA SER D 75 -8.099 4.093 10.056 1.00 0.00 C ATOM 1166 C SER D 75 -8.453 2.967 11.022 1.00 0.00 C ATOM 1167 O SER D 75 -9.573 2.899 11.530 1.00 0.00 O ATOM 1168 CB SER D 75 -7.909 3.529 8.646 1.00 0.00 C ATOM 1169 OG SER D 75 -6.541 3.275 8.379 1.00 0.00 O ATOM 0 H SER D 75 -6.440 4.371 11.306 1.00 0.00 H new ATOM 0 HA SER D 75 -8.918 4.812 10.043 1.00 0.00 H new ATOM 0 HB2 SER D 75 -8.481 2.607 8.539 1.00 0.00 H new ATOM 0 HB3 SER D 75 -8.301 4.234 7.913 1.00 0.00 H new ATOM 0 HG SER D 75 -6.420 3.111 7.421 1.00 0.00 H new ATOM 1175 N GLY D 76 -7.489 2.087 11.275 1.00 0.00 N ATOM 1176 CA GLY D 76 -7.715 0.977 12.182 1.00 0.00 C ATOM 1177 C GLY D 76 -8.344 -0.225 11.501 1.00 0.00 C ATOM 1178 O GLY D 76 -8.494 -1.282 12.115 1.00 0.00 O ATOM 0 H GLY D 76 -6.555 2.123 10.867 1.00 0.00 H new ATOM 0 HA2 GLY D 76 -6.766 0.680 12.628 1.00 0.00 H new ATOM 0 HA3 GLY D 76 -8.361 1.306 12.996 1.00 0.00 H new ATOM 1182 N PHE D 77 -8.716 -0.070 10.232 1.00 0.00 N ATOM 1183 CA PHE D 77 -9.335 -1.155 9.477 1.00 0.00 C ATOM 1184 C PHE D 77 -8.526 -2.449 9.599 1.00 0.00 C ATOM 1185 O PHE D 77 -7.513 -2.634 8.925 1.00 0.00 O ATOM 1186 CB PHE D 77 -9.503 -0.757 8.003 1.00 0.00 C ATOM 1187 CG PHE D 77 -8.224 -0.750 7.205 1.00 0.00 C ATOM 1188 CD1 PHE D 77 -7.057 -0.216 7.731 1.00 0.00 C ATOM 1189 CD2 PHE D 77 -8.195 -1.279 5.925 1.00 0.00 C ATOM 1190 CE1 PHE D 77 -5.887 -0.212 6.994 1.00 0.00 C ATOM 1191 CE2 PHE D 77 -7.030 -1.276 5.184 1.00 0.00 C ATOM 1192 CZ PHE D 77 -5.874 -0.743 5.719 1.00 0.00 C ATOM 0 H PHE D 77 -8.599 0.796 9.706 1.00 0.00 H new ATOM 0 HA PHE D 77 -10.322 -1.339 9.902 1.00 0.00 H new ATOM 0 HB2 PHE D 77 -10.206 -1.445 7.532 1.00 0.00 H new ATOM 0 HB3 PHE D 77 -9.950 0.236 7.957 1.00 0.00 H new ATOM 0 HD1 PHE D 77 -7.062 0.201 8.727 1.00 0.00 H new ATOM 0 HD2 PHE D 77 -9.095 -1.699 5.501 1.00 0.00 H new ATOM 0 HE1 PHE D 77 -4.984 0.206 7.415 1.00 0.00 H new ATOM 0 HE2 PHE D 77 -7.023 -1.690 4.187 1.00 0.00 H new ATOM 0 HZ PHE D 77 -4.961 -0.741 5.142 1.00 0.00 H new ATOM 1202 N HIS D 78 -8.984 -3.338 10.474 1.00 0.00 N ATOM 1203 CA HIS D 78 -8.314 -4.612 10.699 1.00 0.00 C ATOM 1204 C HIS D 78 -8.740 -5.690 9.692 1.00 0.00 C ATOM 1205 O HIS D 78 -7.936 -6.556 9.345 1.00 0.00 O ATOM 1206 CB HIS D 78 -8.578 -5.104 12.122 1.00 0.00 C ATOM 1207 CG HIS D 78 -7.606 -6.146 12.583 1.00 0.00 C ATOM 1208 ND1 HIS D 78 -7.993 -7.336 13.161 1.00 0.00 N ATOM 1209 CD2 HIS D 78 -6.251 -6.171 12.546 1.00 0.00 C ATOM 1210 CE1 HIS D 78 -6.920 -8.048 13.460 1.00 0.00 C ATOM 1211 NE2 HIS D 78 -5.852 -7.364 13.096 1.00 0.00 N ATOM 0 H HIS D 78 -9.820 -3.198 11.041 1.00 0.00 H new ATOM 0 HA HIS D 78 -7.247 -4.437 10.558 1.00 0.00 H new ATOM 0 HB2 HIS D 78 -8.540 -4.255 12.805 1.00 0.00 H new ATOM 0 HB3 HIS D 78 -9.588 -5.511 12.176 1.00 0.00 H new ATOM 0 HD2 HIS D 78 -5.606 -5.397 12.157 1.00 0.00 H new ATOM 0 HE1 HIS D 78 -6.918 -9.024 13.923 1.00 0.00 H new ATOM 0 HE2 HIS D 78 -4.886 -7.672 13.206 1.00 0.00 H new ATOM 1220 N PRO D 79 -10.004 -5.681 9.209 1.00 0.00 N ATOM 1221 CA PRO D 79 -10.471 -6.694 8.256 1.00 0.00 C ATOM 1222 C PRO D 79 -9.791 -6.573 6.897 1.00 0.00 C ATOM 1223 O PRO D 79 -8.833 -5.817 6.735 1.00 0.00 O ATOM 1224 CB PRO D 79 -11.973 -6.423 8.137 1.00 0.00 C ATOM 1225 CG PRO D 79 -12.145 -5.002 8.542 1.00 0.00 C ATOM 1226 CD PRO D 79 -11.065 -4.711 9.548 1.00 0.00 C ATOM 0 HA PRO D 79 -10.240 -7.703 8.597 1.00 0.00 H new ATOM 0 HB2 PRO D 79 -12.323 -6.587 7.118 1.00 0.00 H new ATOM 0 HB3 PRO D 79 -12.546 -7.089 8.783 1.00 0.00 H new ATOM 0 HG2 PRO D 79 -12.061 -4.340 7.680 1.00 0.00 H new ATOM 0 HG3 PRO D 79 -13.132 -4.839 8.974 1.00 0.00 H new ATOM 0 HD2 PRO D 79 -10.709 -3.684 9.469 1.00 0.00 H new ATOM 0 HD3 PRO D 79 -11.421 -4.847 10.569 1.00 0.00 H new ATOM 1234 N SER D 80 -10.286 -7.332 5.923 1.00 0.00 N ATOM 1235 CA SER D 80 -9.721 -7.321 4.578 1.00 0.00 C ATOM 1236 C SER D 80 -8.311 -7.908 4.589 1.00 0.00 C ATOM 1237 O SER D 80 -7.828 -8.363 5.625 1.00 0.00 O ATOM 1238 CB SER D 80 -9.705 -5.894 4.015 1.00 0.00 C ATOM 1239 OG SER D 80 -8.382 -5.425 3.814 1.00 0.00 O ATOM 0 H SER D 80 -11.079 -7.963 6.041 1.00 0.00 H new ATOM 0 HA SER D 80 -10.347 -7.938 3.934 1.00 0.00 H new ATOM 0 HB2 SER D 80 -10.247 -5.869 3.070 1.00 0.00 H new ATOM 0 HB3 SER D 80 -10.228 -5.226 4.700 1.00 0.00 H new ATOM 0 HG SER D 80 -8.163 -5.462 2.859 1.00 0.00 H new ATOM 1245 N ASP D 81 -7.654 -7.894 3.433 1.00 0.00 N ATOM 1246 CA ASP D 81 -6.300 -8.427 3.326 1.00 0.00 C ATOM 1247 C ASP D 81 -5.271 -7.301 3.343 1.00 0.00 C ATOM 1248 O ASP D 81 -4.763 -6.895 2.299 1.00 0.00 O ATOM 1249 CB ASP D 81 -6.151 -9.256 2.049 1.00 0.00 C ATOM 1250 CG ASP D 81 -7.137 -10.406 1.988 1.00 0.00 C ATOM 1251 OD1 ASP D 81 -8.357 -10.144 2.006 1.00 0.00 O ATOM 1252 OD2 ASP D 81 -6.687 -11.570 1.921 1.00 0.00 O ATOM 0 H ASP D 81 -8.034 -7.522 2.563 1.00 0.00 H new ATOM 0 HA ASP D 81 -6.121 -9.071 4.187 1.00 0.00 H new ATOM 0 HB2 ASP D 81 -6.295 -8.611 1.182 1.00 0.00 H new ATOM 0 HB3 ASP D 81 -5.136 -9.648 1.990 1.00 0.00 H new ATOM 1257 N ILE D 82 -4.972 -6.800 4.538 1.00 0.00 N ATOM 1258 CA ILE D 82 -4.006 -5.719 4.693 1.00 0.00 C ATOM 1259 C ILE D 82 -2.731 -6.209 5.370 1.00 0.00 C ATOM 1260 O ILE D 82 -2.765 -6.699 6.499 1.00 0.00 O ATOM 1261 CB ILE D 82 -4.594 -4.551 5.512 1.00 0.00 C ATOM 1262 CG1 ILE D 82 -4.920 -5.005 6.938 1.00 0.00 C ATOM 1263 CG2 ILE D 82 -5.838 -4.001 4.831 1.00 0.00 C ATOM 1264 CD1 ILE D 82 -3.858 -4.627 7.948 1.00 0.00 C ATOM 0 H ILE D 82 -5.385 -7.126 5.412 1.00 0.00 H new ATOM 0 HA ILE D 82 -3.767 -5.366 3.690 1.00 0.00 H new ATOM 0 HB ILE D 82 -3.849 -3.757 5.566 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -5.871 -4.568 7.242 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -5.049 -6.087 6.946 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.242 -3.178 5.420 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -5.579 -3.641 3.835 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -6.586 -4.789 4.749 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.154 -4.979 8.936 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -2.910 -5.086 7.668 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -3.745 -3.543 7.968 1.00 0.00 H new ATOM 1276 N GLU D 83 -1.606 -6.071 4.675 1.00 0.00 N ATOM 1277 CA GLU D 83 -0.321 -6.499 5.214 1.00 0.00 C ATOM 1278 C GLU D 83 0.806 -5.586 4.738 1.00 0.00 C ATOM 1279 O GLU D 83 0.920 -5.291 3.549 1.00 0.00 O ATOM 1280 CB GLU D 83 -0.025 -7.944 4.808 1.00 0.00 C ATOM 1281 CG GLU D 83 1.104 -8.580 5.604 1.00 0.00 C ATOM 1282 CD GLU D 83 0.794 -10.006 6.016 1.00 0.00 C ATOM 1283 OE1 GLU D 83 0.098 -10.191 7.037 1.00 0.00 O ATOM 1284 OE2 GLU D 83 1.249 -10.938 5.319 1.00 0.00 O ATOM 0 H GLU D 83 -1.559 -5.667 3.740 1.00 0.00 H new ATOM 0 HA GLU D 83 -0.379 -6.438 6.301 1.00 0.00 H new ATOM 0 HB2 GLU D 83 -0.928 -8.541 4.934 1.00 0.00 H new ATOM 0 HB3 GLU D 83 0.229 -7.970 3.748 1.00 0.00 H new ATOM 0 HG2 GLU D 83 2.016 -8.568 5.007 1.00 0.00 H new ATOM 0 HG3 GLU D 83 1.298 -7.982 6.495 1.00 0.00 H new ATOM 1291 N VAL D 84 1.636 -5.143 5.679 1.00 0.00 N ATOM 1292 CA VAL D 84 2.756 -4.266 5.360 1.00 0.00 C ATOM 1293 C VAL D 84 4.084 -4.932 5.708 1.00 0.00 C ATOM 1294 O VAL D 84 4.346 -5.253 6.866 1.00 0.00 O ATOM 1295 CB VAL D 84 2.653 -2.924 6.113 1.00 0.00 C ATOM 1296 CG1 VAL D 84 3.831 -2.020 5.774 1.00 0.00 C ATOM 1297 CG2 VAL D 84 1.335 -2.234 5.794 1.00 0.00 C ATOM 0 H VAL D 84 1.553 -5.378 6.668 1.00 0.00 H new ATOM 0 HA VAL D 84 2.716 -4.074 4.288 1.00 0.00 H new ATOM 0 HB VAL D 84 2.683 -3.130 7.183 1.00 0.00 H new ATOM 0 HG11 VAL D 84 3.736 -1.080 6.317 1.00 0.00 H new ATOM 0 HG12 VAL D 84 4.761 -2.512 6.060 1.00 0.00 H new ATOM 0 HG13 VAL D 84 3.840 -1.821 4.702 1.00 0.00 H new ATOM 0 HG21 VAL D 84 1.279 -1.289 6.334 1.00 0.00 H new ATOM 0 HG22 VAL D 84 1.274 -2.044 4.722 1.00 0.00 H new ATOM 0 HG23 VAL D 84 0.506 -2.874 6.097 1.00 0.00 H new ATOM 1307 N ASP D 85 4.921 -5.134 4.696 1.00 0.00 N ATOM 1308 CA ASP D 85 6.222 -5.758 4.897 1.00 0.00 C ATOM 1309 C ASP D 85 7.283 -4.711 5.217 1.00 0.00 C ATOM 1310 O ASP D 85 7.973 -4.219 4.323 1.00 0.00 O ATOM 1311 CB ASP D 85 6.627 -6.556 3.655 1.00 0.00 C ATOM 1312 CG ASP D 85 7.298 -7.871 4.003 1.00 0.00 C ATOM 1313 OD1 ASP D 85 7.176 -8.313 5.165 1.00 0.00 O ATOM 1314 OD2 ASP D 85 7.945 -8.461 3.112 1.00 0.00 O ATOM 0 H ASP D 85 4.721 -4.875 3.730 1.00 0.00 H new ATOM 0 HA ASP D 85 6.145 -6.439 5.745 1.00 0.00 H new ATOM 0 HB2 ASP D 85 5.743 -6.752 3.049 1.00 0.00 H new ATOM 0 HB3 ASP D 85 7.304 -5.956 3.046 1.00 0.00 H new ATOM 1319 N LEU D 86 7.408 -4.376 6.496 1.00 0.00 N ATOM 1320 CA LEU D 86 8.385 -3.387 6.937 1.00 0.00 C ATOM 1321 C LEU D 86 9.792 -3.978 6.947 1.00 0.00 C ATOM 1322 O LEU D 86 10.216 -4.574 7.938 1.00 0.00 O ATOM 1323 CB LEU D 86 8.019 -2.870 8.331 1.00 0.00 C ATOM 1324 CG LEU D 86 7.884 -1.351 8.446 1.00 0.00 C ATOM 1325 CD1 LEU D 86 6.465 -0.914 8.115 1.00 0.00 C ATOM 1326 CD2 LEU D 86 8.276 -0.886 9.839 1.00 0.00 C ATOM 0 H LEU D 86 6.844 -4.775 7.247 1.00 0.00 H new ATOM 0 HA LEU D 86 8.370 -2.554 6.234 1.00 0.00 H new ATOM 0 HB2 LEU D 86 7.077 -3.327 8.635 1.00 0.00 H new ATOM 0 HB3 LEU D 86 8.779 -3.206 9.037 1.00 0.00 H new ATOM 0 HG LEU D 86 8.561 -0.890 7.727 1.00 0.00 H new ATOM 0 HD11 LEU D 86 6.388 0.170 8.202 1.00 0.00 H new ATOM 0 HD12 LEU D 86 6.220 -1.214 7.096 1.00 0.00 H new ATOM 0 HD13 LEU D 86 5.768 -1.384 8.809 1.00 0.00 H new ATOM 0 HD21 LEU D 86 8.174 0.197 9.903 1.00 0.00 H new ATOM 0 HD22 LEU D 86 7.625 -1.356 10.576 1.00 0.00 H new ATOM 0 HD23 LEU D 86 9.311 -1.165 10.038 1.00 0.00 H new ATOM 1338 N LEU D 87 10.511 -3.810 5.840 1.00 0.00 N ATOM 1339 CA LEU D 87 11.872 -4.327 5.722 1.00 0.00 C ATOM 1340 C LEU D 87 11.871 -5.850 5.627 1.00 0.00 C ATOM 1341 O LEU D 87 12.790 -6.513 6.110 1.00 0.00 O ATOM 1342 CB LEU D 87 12.723 -3.875 6.914 1.00 0.00 C ATOM 1343 CG LEU D 87 13.981 -3.082 6.551 1.00 0.00 C ATOM 1344 CD1 LEU D 87 14.407 -2.199 7.713 1.00 0.00 C ATOM 1345 CD2 LEU D 87 15.105 -4.025 6.154 1.00 0.00 C ATOM 0 H LEU D 87 10.174 -3.320 5.012 1.00 0.00 H new ATOM 0 HA LEU D 87 12.306 -3.925 4.806 1.00 0.00 H new ATOM 0 HB2 LEU D 87 12.104 -3.264 7.571 1.00 0.00 H new ATOM 0 HB3 LEU D 87 13.019 -4.756 7.484 1.00 0.00 H new ATOM 0 HG LEU D 87 13.753 -2.441 5.700 1.00 0.00 H new ATOM 0 HD11 LEU D 87 15.303 -1.642 7.438 1.00 0.00 H new ATOM 0 HD12 LEU D 87 13.605 -1.501 7.952 1.00 0.00 H new ATOM 0 HD13 LEU D 87 14.619 -2.820 8.583 1.00 0.00 H new ATOM 0 HD21 LEU D 87 15.993 -3.446 5.899 1.00 0.00 H new ATOM 0 HD22 LEU D 87 15.333 -4.690 6.987 1.00 0.00 H new ATOM 0 HD23 LEU D 87 14.797 -4.616 5.291 1.00 0.00 H new