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= -5.4! C(o=-5.2!,f=-8.1!) USER MOD Set 1.2: D 71 ASN : amide:sc= 0.16 K(o=-5.2,f=-6.4) USER MOD Set 2.1: A 6 CYS SG : rot 180:sc= -1.03 USER MOD Set 2.2: B 28 CYS SG : rot 171:sc= -0.0277 USER MOD Set 3.1: A 5 ASN : amide:sc= -10.9! C(o=-12!,f=-17!) USER MOD Set 3.2: B 27 ASN : amide:sc= -1.54 X(o=-12,f=-12) USER MOD Single : A 2 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.2) USER MOD Single : A 7 TYR OH : rot 56:sc= -2.6! USER MOD Single : A 9 SER OG : rot -68:sc= 0.979 USER MOD Single : A 12 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.54) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= -2.06 K(o=-2.1,f=-8!) USER MOD Single : B 29 TYR OH : rot 180:sc= -0.509 USER MOD Single : B 31 SER OG : rot 180:sc= -0.298 USER MOD Single : B 34 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.15) USER MOD Single : B 36 SER OG : rot 180:sc= -0.0721 USER MOD Single : B 44 LYS NZ :NH3+ -150:sc= -0.454 (180deg=-1.49!) USER MOD Single : C 45 SER OG : rot -34:sc= 0.191 USER MOD Single : C 46 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.3) USER MOD Single : C 50 CYS SG : rot 180:sc= -0.89 USER MOD Single : C 51 TYR OH : rot 124:sc= 0.426 USER MOD Single : C 53 SER OG : rot 75:sc= 2.1 USER MOD Single : C 56 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.0034) USER MOD Single : C 58 SER OG : rot 180:sc= -0.0286 USER MOD Single : C 66 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0423) USER MOD Single : D 67 SER OG : rot -36:sc= 0.397 USER MOD Single : D 68 ASN : amide:sc= -3.94! C(o=-3.9!,f=-2.8!) USER MOD Single : D 72 CYS SG : rot 180:sc= -0.14 USER MOD Single : D 73 TYR OH : rot 180:sc= 0 USER MOD Single : D 75 SER OG : rot -158:sc= -3.49 USER MOD Single : D 78 HIS : no HD1:sc= -0.305 X(o=-0.3,f=-0.71) USER MOD Single : D 80 SER OG : rot 97:sc= 0.153 USER MOD ----------------------------------------------------------------- ATOM 14 N ASN A 2 14.035 7.148 -6.170 1.00 0.00 N ATOM 15 CA ASN A 2 12.929 8.048 -6.483 1.00 0.00 C ATOM 16 C ASN A 2 11.737 7.272 -7.035 1.00 0.00 C ATOM 17 O ASN A 2 11.572 7.151 -8.250 1.00 0.00 O ATOM 18 CB ASN A 2 13.379 9.110 -7.492 1.00 0.00 C ATOM 19 CG ASN A 2 13.366 10.506 -6.903 1.00 0.00 C ATOM 20 OD1 ASN A 2 13.516 10.685 -5.695 1.00 0.00 O ATOM 21 ND2 ASN A 2 13.183 11.505 -7.758 1.00 0.00 N ATOM 0 HA ASN A 2 12.620 8.542 -5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 2 14.385 8.874 -7.840 1.00 0.00 H new ATOM 0 HB3 ASN A 2 12.725 9.080 -8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 2 13.163 12.467 -7.421 1.00 0.00 H new ATOM 0 HD22 ASN A 2 13.063 11.310 -8.752 1.00 0.00 H new ATOM 28 N PHE A 3 10.908 6.750 -6.137 1.00 0.00 N ATOM 29 CA PHE A 3 9.732 5.987 -6.537 1.00 0.00 C ATOM 30 C PHE A 3 8.473 6.533 -5.868 1.00 0.00 C ATOM 31 O PHE A 3 8.288 6.396 -4.656 1.00 0.00 O ATOM 32 CB PHE A 3 9.924 4.506 -6.194 1.00 0.00 C ATOM 33 CG PHE A 3 8.643 3.725 -6.095 1.00 0.00 C ATOM 34 CD1 PHE A 3 7.896 3.440 -7.228 1.00 0.00 C ATOM 35 CD2 PHE A 3 8.189 3.274 -4.868 1.00 0.00 C ATOM 36 CE1 PHE A 3 6.720 2.718 -7.135 1.00 0.00 C ATOM 37 CE2 PHE A 3 7.016 2.553 -4.772 1.00 0.00 C ATOM 38 CZ PHE A 3 6.283 2.273 -5.904 1.00 0.00 C ATOM 0 H PHE A 3 11.029 6.841 -5.128 1.00 0.00 H new ATOM 0 HA PHE A 3 9.608 6.085 -7.615 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.558 4.048 -6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 3 10.457 4.430 -5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.236 3.785 -8.193 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.759 3.489 -3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 3 6.145 2.503 -8.024 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.672 2.208 -3.808 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.367 1.706 -5.828 1.00 0.00 H new ATOM 48 N LEU A 4 7.610 7.149 -6.669 1.00 0.00 N ATOM 49 CA LEU A 4 6.365 7.715 -6.164 1.00 0.00 C ATOM 50 C LEU A 4 5.171 6.880 -6.614 1.00 0.00 C ATOM 51 O LEU A 4 4.898 6.759 -7.808 1.00 0.00 O ATOM 52 CB LEU A 4 6.201 9.163 -6.639 1.00 0.00 C ATOM 53 CG LEU A 4 6.884 9.499 -7.967 1.00 0.00 C ATOM 54 CD1 LEU A 4 6.222 8.754 -9.116 1.00 0.00 C ATOM 55 CD2 LEU A 4 6.853 10.999 -8.216 1.00 0.00 C ATOM 0 H LEU A 4 7.751 7.269 -7.672 1.00 0.00 H new ATOM 0 HA LEU A 4 6.406 7.705 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.137 9.379 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.594 9.827 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 4 7.924 9.179 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.723 9.007 -10.050 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.296 7.680 -8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.172 9.040 -9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.343 11.221 -9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.818 11.340 -8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.376 11.513 -7.409 1.00 0.00 H new ATOM 67 N ASN A 5 4.457 6.309 -5.650 1.00 0.00 N ATOM 68 CA ASN A 5 3.288 5.490 -5.950 1.00 0.00 C ATOM 69 C ASN A 5 2.089 5.940 -5.117 1.00 0.00 C ATOM 70 O ASN A 5 1.623 5.219 -4.232 1.00 0.00 O ATOM 71 CB ASN A 5 3.586 4.012 -5.696 1.00 0.00 C ATOM 72 CG ASN A 5 3.898 3.719 -4.240 1.00 0.00 C ATOM 73 OD1 ASN A 5 3.133 3.039 -3.558 1.00 0.00 O ATOM 74 ND2 ASN A 5 5.027 4.225 -3.761 1.00 0.00 N ATOM 0 H ASN A 5 4.667 6.398 -4.656 1.00 0.00 H new ATOM 0 HA ASN A 5 3.045 5.617 -7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.729 3.414 -6.007 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.430 3.705 -6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.290 4.055 -2.790 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.632 4.784 -4.363 1.00 0.00 H new ATOM 81 N CYS A 6 1.593 7.138 -5.410 1.00 0.00 N ATOM 82 CA CYS A 6 0.450 7.691 -4.695 1.00 0.00 C ATOM 83 C CYS A 6 -0.853 7.305 -5.387 1.00 0.00 C ATOM 84 O CYS A 6 -1.086 7.673 -6.539 1.00 0.00 O ATOM 85 CB CYS A 6 0.566 9.214 -4.606 1.00 0.00 C ATOM 86 SG CYS A 6 -0.786 10.008 -3.706 1.00 0.00 S ATOM 0 H CYS A 6 1.966 7.745 -6.140 1.00 0.00 H new ATOM 0 HA CYS A 6 0.443 7.278 -3.686 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.509 9.468 -4.121 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.606 9.624 -5.615 1.00 0.00 H new ATOM 0 HG CYS A 6 -0.596 11.294 -3.684 1.00 0.00 H new ATOM 92 N TYR A 7 -1.696 6.557 -4.683 1.00 0.00 N ATOM 93 CA TYR A 7 -2.971 6.117 -5.235 1.00 0.00 C ATOM 94 C TYR A 7 -4.138 6.635 -4.395 1.00 0.00 C ATOM 95 O TYR A 7 -4.132 6.542 -3.164 1.00 0.00 O ATOM 96 CB TYR A 7 -2.988 4.583 -5.345 1.00 0.00 C ATOM 97 CG TYR A 7 -4.147 3.898 -4.651 1.00 0.00 C ATOM 98 CD1 TYR A 7 -5.454 4.086 -5.084 1.00 0.00 C ATOM 99 CD2 TYR A 7 -3.930 3.059 -3.565 1.00 0.00 C ATOM 100 CE1 TYR A 7 -6.511 3.458 -4.454 1.00 0.00 C ATOM 101 CE2 TYR A 7 -4.981 2.427 -2.932 1.00 0.00 C ATOM 102 CZ TYR A 7 -6.269 2.630 -3.380 1.00 0.00 C ATOM 103 OH TYR A 7 -7.317 2.000 -2.752 1.00 0.00 O ATOM 0 H TYR A 7 -1.519 6.243 -3.729 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.088 6.533 -6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.006 4.311 -6.400 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.057 4.195 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.647 4.734 -5.927 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.923 2.899 -3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.521 3.615 -4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.795 1.777 -2.090 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.824 1.476 -3.407 1.00 0.00 H new ATOM 113 N VAL A 8 -5.138 7.191 -5.073 1.00 0.00 N ATOM 114 CA VAL A 8 -6.309 7.736 -4.401 1.00 0.00 C ATOM 115 C VAL A 8 -7.584 7.467 -5.199 1.00 0.00 C ATOM 116 O VAL A 8 -7.526 7.108 -6.374 1.00 0.00 O ATOM 117 CB VAL A 8 -6.156 9.256 -4.175 1.00 0.00 C ATOM 118 CG1 VAL A 8 -4.808 9.564 -3.540 1.00 0.00 C ATOM 119 CG2 VAL A 8 -6.315 10.020 -5.483 1.00 0.00 C ATOM 0 H VAL A 8 -5.159 7.275 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.388 7.236 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.945 9.580 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.715 10.639 -3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.733 9.053 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.009 9.221 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.203 11.088 -5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.553 9.693 -6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.303 9.826 -5.900 1.00 0.00 H new ATOM 129 N SER A 9 -8.732 7.651 -4.548 1.00 0.00 N ATOM 130 CA SER A 9 -10.030 7.439 -5.190 1.00 0.00 C ATOM 131 C SER A 9 -10.365 5.952 -5.292 1.00 0.00 C ATOM 132 O SER A 9 -9.727 5.115 -4.651 1.00 0.00 O ATOM 133 CB SER A 9 -10.056 8.085 -6.581 1.00 0.00 C ATOM 134 OG SER A 9 -9.697 7.153 -7.589 1.00 0.00 O ATOM 0 H SER A 9 -8.790 7.947 -3.574 1.00 0.00 H new ATOM 0 HA SER A 9 -10.788 7.914 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.053 8.477 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.370 8.931 -6.604 1.00 0.00 H new ATOM 0 HG SER A 9 -8.752 6.913 -7.491 1.00 0.00 H new ATOM 140 N GLY A 10 -11.374 5.634 -6.097 1.00 0.00 N ATOM 141 CA GLY A 10 -11.787 4.253 -6.267 1.00 0.00 C ATOM 142 C GLY A 10 -10.900 3.486 -7.226 1.00 0.00 C ATOM 143 O GLY A 10 -9.794 3.921 -7.548 1.00 0.00 O ATOM 0 H GLY A 10 -11.914 6.311 -6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.781 3.755 -5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.814 4.228 -6.631 1.00 0.00 H new ATOM 147 N PHE A 11 -11.387 2.334 -7.682 1.00 0.00 N ATOM 148 CA PHE A 11 -10.636 1.493 -8.608 1.00 0.00 C ATOM 149 C PHE A 11 -11.507 1.083 -9.796 1.00 0.00 C ATOM 150 O PHE A 11 -12.495 1.746 -10.110 1.00 0.00 O ATOM 151 CB PHE A 11 -10.115 0.250 -7.879 1.00 0.00 C ATOM 152 CG PHE A 11 -8.655 -0.027 -8.117 1.00 0.00 C ATOM 153 CD1 PHE A 11 -7.730 1.003 -8.123 1.00 0.00 C ATOM 154 CD2 PHE A 11 -8.213 -1.323 -8.332 1.00 0.00 C ATOM 155 CE1 PHE A 11 -6.389 0.748 -8.338 1.00 0.00 C ATOM 156 CE2 PHE A 11 -6.873 -1.584 -8.548 1.00 0.00 C ATOM 157 CZ PHE A 11 -5.961 -0.547 -8.552 1.00 0.00 C ATOM 0 H PHE A 11 -12.301 1.962 -7.424 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.789 2.065 -8.987 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.282 0.371 -6.809 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.696 -0.616 -8.196 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.060 2.018 -7.958 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.923 -2.137 -8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.677 1.560 -8.339 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.540 -2.598 -8.713 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.914 -0.749 -8.722 1.00 0.00 H new ATOM 167 N HIS A 12 -11.136 -0.014 -10.452 1.00 0.00 N ATOM 168 CA HIS A 12 -11.883 -0.513 -11.600 1.00 0.00 C ATOM 169 C HIS A 12 -11.311 -1.843 -12.084 1.00 0.00 C ATOM 170 O HIS A 12 -12.008 -2.858 -12.091 1.00 0.00 O ATOM 171 CB HIS A 12 -11.871 0.511 -12.735 1.00 0.00 C ATOM 172 CG HIS A 12 -13.223 0.754 -13.331 1.00 0.00 C ATOM 173 ND1 HIS A 12 -14.274 -0.131 -13.199 1.00 0.00 N ATOM 174 CD2 HIS A 12 -13.695 1.789 -14.066 1.00 0.00 C ATOM 175 CE1 HIS A 12 -15.332 0.350 -13.827 1.00 0.00 C ATOM 176 NE2 HIS A 12 -15.008 1.513 -14.361 1.00 0.00 N ATOM 0 H HIS A 12 -10.320 -0.574 -10.206 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.914 -0.675 -11.287 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.473 1.454 -12.360 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.194 0.168 -13.517 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -13.142 2.667 -14.365 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.299 -0.127 -13.892 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -15.631 2.110 -14.905 1.00 0.00 H new ATOM 185 N PRO A 13 -10.029 -1.860 -12.493 1.00 0.00 N ATOM 186 CA PRO A 13 -9.375 -3.082 -12.973 1.00 0.00 C ATOM 187 C PRO A 13 -9.268 -4.143 -11.882 1.00 0.00 C ATOM 188 O PRO A 13 -9.154 -5.335 -12.171 1.00 0.00 O ATOM 189 CB PRO A 13 -7.982 -2.608 -13.399 1.00 0.00 C ATOM 190 CG PRO A 13 -7.762 -1.340 -12.648 1.00 0.00 C ATOM 191 CD PRO A 13 -9.114 -0.701 -12.518 1.00 0.00 C ATOM 0 HA PRO A 13 -9.938 -3.553 -13.779 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.221 -3.349 -13.155 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.933 -2.443 -14.475 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.327 -1.536 -11.668 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.070 -0.686 -13.179 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.193 -0.105 -11.609 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.328 -0.036 -13.355 1.00 0.00 H new ATOM 199 N SER A 14 -9.311 -3.703 -10.626 1.00 0.00 N ATOM 200 CA SER A 14 -9.222 -4.615 -9.487 1.00 0.00 C ATOM 201 C SER A 14 -7.823 -5.210 -9.364 1.00 0.00 C ATOM 202 O SER A 14 -7.121 -4.970 -8.382 1.00 0.00 O ATOM 203 CB SER A 14 -10.258 -5.734 -9.616 1.00 0.00 C ATOM 204 OG SER A 14 -11.520 -5.220 -10.004 1.00 0.00 O ATOM 0 H SER A 14 -9.407 -2.720 -10.371 1.00 0.00 H new ATOM 0 HA SER A 14 -9.429 -4.041 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.919 -6.465 -10.350 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.352 -6.258 -8.665 1.00 0.00 H new ATOM 0 HG SER A 14 -12.163 -5.955 -10.081 1.00 0.00 H new ATOM 210 N ASP A 15 -7.424 -5.991 -10.364 1.00 0.00 N ATOM 211 CA ASP A 15 -6.109 -6.622 -10.362 1.00 0.00 C ATOM 212 C ASP A 15 -5.022 -5.623 -10.743 1.00 0.00 C ATOM 213 O ASP A 15 -5.110 -4.957 -11.774 1.00 0.00 O ATOM 214 CB ASP A 15 -6.091 -7.806 -11.331 1.00 0.00 C ATOM 215 CG ASP A 15 -6.942 -8.963 -10.844 1.00 0.00 C ATOM 216 OD1 ASP A 15 -8.170 -8.933 -11.072 1.00 0.00 O ATOM 217 OD2 ASP A 15 -6.381 -9.898 -10.235 1.00 0.00 O ATOM 0 H ASP A 15 -7.992 -6.201 -11.185 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.907 -6.980 -9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.451 -7.479 -12.307 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.064 -8.145 -11.467 1.00 0.00 H new ATOM 222 N ILE A 16 -3.994 -5.525 -9.903 1.00 0.00 N ATOM 223 CA ILE A 16 -2.889 -4.608 -10.154 1.00 0.00 C ATOM 224 C ILE A 16 -1.634 -5.037 -9.400 1.00 0.00 C ATOM 225 O ILE A 16 -1.704 -5.455 -8.242 1.00 0.00 O ATOM 226 CB ILE A 16 -3.258 -3.161 -9.759 1.00 0.00 C ATOM 227 CG1 ILE A 16 -2.176 -2.180 -10.231 1.00 0.00 C ATOM 228 CG2 ILE A 16 -3.480 -3.052 -8.255 1.00 0.00 C ATOM 229 CD1 ILE A 16 -0.929 -2.165 -9.370 1.00 0.00 C ATOM 0 H ILE A 16 -3.905 -6.069 -9.045 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.687 -4.639 -11.225 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.192 -2.896 -10.255 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.894 -2.432 -11.253 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.599 -1.176 -10.255 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.739 -2.025 -7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.292 -3.716 -7.958 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.568 -3.338 -7.731 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.217 -1.445 -9.774 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.194 -1.881 -8.351 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.478 -3.158 -9.365 1.00 0.00 H new ATOM 241 N GLU A 17 -0.488 -4.933 -10.064 1.00 0.00 N ATOM 242 CA GLU A 17 0.784 -5.312 -9.460 1.00 0.00 C ATOM 243 C GLU A 17 1.882 -4.316 -9.826 1.00 0.00 C ATOM 244 O GLU A 17 1.980 -3.878 -10.972 1.00 0.00 O ATOM 245 CB GLU A 17 1.187 -6.717 -9.910 1.00 0.00 C ATOM 246 CG GLU A 17 1.320 -6.856 -11.419 1.00 0.00 C ATOM 247 CD GLU A 17 2.259 -7.976 -11.822 1.00 0.00 C ATOM 248 OE1 GLU A 17 3.391 -8.019 -11.296 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.862 -8.810 -12.663 1.00 0.00 O ATOM 0 H GLU A 17 -0.414 -4.589 -11.021 1.00 0.00 H new ATOM 0 HA GLU A 17 0.658 -5.305 -8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.136 -6.981 -9.444 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.446 -7.431 -9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.336 -7.039 -11.851 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.682 -5.916 -11.836 1.00 0.00 H new ATOM 256 N VAL A 18 2.706 -3.965 -8.843 1.00 0.00 N ATOM 257 CA VAL A 18 3.799 -3.025 -9.061 1.00 0.00 C ATOM 258 C VAL A 18 5.150 -3.704 -8.863 1.00 0.00 C ATOM 259 O VAL A 18 5.406 -4.307 -7.821 1.00 0.00 O ATOM 260 CB VAL A 18 3.703 -1.818 -8.110 1.00 0.00 C ATOM 261 CG1 VAL A 18 4.751 -0.774 -8.464 1.00 0.00 C ATOM 262 CG2 VAL A 18 2.306 -1.217 -8.146 1.00 0.00 C ATOM 0 H VAL A 18 2.637 -4.318 -7.888 1.00 0.00 H new ATOM 0 HA VAL A 18 3.714 -2.674 -10.089 1.00 0.00 H new ATOM 0 HB VAL A 18 3.897 -2.164 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.668 0.071 -7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.745 -1.213 -8.378 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.592 -0.431 -9.487 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.259 -0.365 -7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.078 -0.886 -9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.579 -1.968 -7.837 1.00 0.00 H new ATOM 272 N ASP A 19 6.010 -3.604 -9.871 1.00 0.00 N ATOM 273 CA ASP A 19 7.334 -4.211 -9.808 1.00 0.00 C ATOM 274 C ASP A 19 8.425 -3.145 -9.790 1.00 0.00 C ATOM 275 O ASP A 19 8.407 -2.211 -10.593 1.00 0.00 O ATOM 276 CB ASP A 19 7.543 -5.151 -10.997 1.00 0.00 C ATOM 277 CG ASP A 19 6.421 -6.161 -11.139 1.00 0.00 C ATOM 278 OD1 ASP A 19 5.268 -5.740 -11.372 1.00 0.00 O ATOM 279 OD2 ASP A 19 6.696 -7.374 -11.017 1.00 0.00 O ATOM 0 H ASP A 19 5.814 -3.109 -10.741 1.00 0.00 H new ATOM 0 HA ASP A 19 7.398 -4.784 -8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.618 -4.564 -11.912 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.490 -5.678 -10.878 1.00 0.00 H new ATOM 284 N LEU A 20 9.373 -3.292 -8.869 1.00 0.00 N ATOM 285 CA LEU A 20 10.475 -2.344 -8.746 1.00 0.00 C ATOM 286 C LEU A 20 11.534 -2.870 -7.780 1.00 0.00 C ATOM 287 O LEU A 20 12.156 -2.103 -7.042 1.00 0.00 O ATOM 288 CB LEU A 20 9.954 -0.983 -8.274 1.00 0.00 C ATOM 289 CG LEU A 20 10.083 0.148 -9.297 1.00 0.00 C ATOM 290 CD1 LEU A 20 9.615 1.465 -8.699 1.00 0.00 C ATOM 291 CD2 LEU A 20 11.518 0.260 -9.786 1.00 0.00 C ATOM 0 H LEU A 20 9.400 -4.059 -8.197 1.00 0.00 H new ATOM 0 HA LEU A 20 10.935 -2.223 -9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.904 -1.087 -8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.492 -0.698 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 20 9.446 -0.084 -10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.714 2.257 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.571 1.378 -8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.224 1.706 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.593 1.069 -10.513 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.175 0.469 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.817 -0.678 -10.255 1.00 0.00 H new ATOM 359 N ASN B 24 12.315 8.132 -2.146 1.00 0.00 N ATOM 360 CA ASN B 24 12.587 6.705 -2.015 1.00 0.00 C ATOM 361 C ASN B 24 11.320 5.873 -2.232 1.00 0.00 C ATOM 362 O ASN B 24 11.029 5.465 -3.356 1.00 0.00 O ATOM 363 CB ASN B 24 13.203 6.405 -0.645 1.00 0.00 C ATOM 364 CG ASN B 24 13.528 4.935 -0.463 1.00 0.00 C ATOM 365 OD1 ASN B 24 12.699 4.066 -0.730 1.00 0.00 O ATOM 366 ND2 ASN B 24 14.740 4.649 -0.003 1.00 0.00 N ATOM 0 HA ASN B 24 13.302 6.426 -2.789 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.113 6.993 -0.523 1.00 0.00 H new ATOM 0 HB3 ASN B 24 12.512 6.721 0.137 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.014 3.677 0.142 1.00 0.00 H new ATOM 0 HD22 ASN B 24 15.397 5.401 0.206 1.00 0.00 H new ATOM 373 N PHE B 25 10.571 5.615 -1.158 1.00 0.00 N ATOM 374 CA PHE B 25 9.350 4.824 -1.257 1.00 0.00 C ATOM 375 C PHE B 25 8.160 5.579 -0.672 1.00 0.00 C ATOM 376 O PHE B 25 8.030 5.702 0.547 1.00 0.00 O ATOM 377 CB PHE B 25 9.538 3.486 -0.533 1.00 0.00 C ATOM 378 CG PHE B 25 8.293 2.646 -0.456 1.00 0.00 C ATOM 379 CD1 PHE B 25 7.411 2.586 -1.521 1.00 0.00 C ATOM 380 CD2 PHE B 25 8.009 1.917 0.684 1.00 0.00 C ATOM 381 CE1 PHE B 25 6.268 1.809 -1.449 1.00 0.00 C ATOM 382 CE2 PHE B 25 6.869 1.141 0.763 1.00 0.00 C ATOM 383 CZ PHE B 25 5.998 1.087 -0.304 1.00 0.00 C ATOM 0 H PHE B 25 10.789 5.941 -0.217 1.00 0.00 H new ATOM 0 HA PHE B 25 9.144 4.636 -2.311 1.00 0.00 H new ATOM 0 HB2 PHE B 25 10.316 2.917 -1.042 1.00 0.00 H new ATOM 0 HB3 PHE B 25 9.895 3.680 0.478 1.00 0.00 H new ATOM 0 HD1 PHE B 25 7.617 3.152 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE B 25 8.687 1.955 1.524 1.00 0.00 H new ATOM 0 HE1 PHE B 25 5.588 1.768 -2.287 1.00 0.00 H new ATOM 0 HE2 PHE B 25 6.660 0.577 1.660 1.00 0.00 H new ATOM 0 HZ PHE B 25 5.106 0.481 -0.244 1.00 0.00 H new ATOM 393 N LEU B 26 7.295 6.090 -1.547 1.00 0.00 N ATOM 394 CA LEU B 26 6.120 6.838 -1.109 1.00 0.00 C ATOM 395 C LEU B 26 4.827 6.128 -1.504 1.00 0.00 C ATOM 396 O LEU B 26 4.285 6.363 -2.584 1.00 0.00 O ATOM 397 CB LEU B 26 6.139 8.245 -1.706 1.00 0.00 C ATOM 398 CG LEU B 26 6.947 9.273 -0.913 1.00 0.00 C ATOM 399 CD1 LEU B 26 8.435 8.993 -1.038 1.00 0.00 C ATOM 400 CD2 LEU B 26 6.627 10.682 -1.388 1.00 0.00 C ATOM 0 H LEU B 26 7.386 6.000 -2.559 1.00 0.00 H new ATOM 0 HA LEU B 26 6.154 6.903 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU B 26 6.543 8.189 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.112 8.601 -1.792 1.00 0.00 H new ATOM 0 HG LEU B 26 6.670 9.193 0.138 1.00 0.00 H new ATOM 0 HD11 LEU B 26 8.994 9.735 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU B 26 8.652 7.998 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU B 26 8.728 9.046 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU B 26 7.211 11.401 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU B 26 6.876 10.775 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.565 10.881 -1.247 1.00 0.00 H new ATOM 412 N ASN B 27 4.331 5.266 -0.619 1.00 0.00 N ATOM 413 CA ASN B 27 3.096 4.532 -0.877 1.00 0.00 C ATOM 414 C ASN B 27 1.906 5.228 -0.221 1.00 0.00 C ATOM 415 O ASN B 27 1.785 5.254 1.006 1.00 0.00 O ATOM 416 CB ASN B 27 3.208 3.095 -0.367 1.00 0.00 C ATOM 417 CG ASN B 27 2.264 2.151 -1.086 1.00 0.00 C ATOM 418 OD1 ASN B 27 1.048 2.343 -1.072 1.00 0.00 O ATOM 419 ND2 ASN B 27 2.820 1.126 -1.721 1.00 0.00 N ATOM 0 H ASN B 27 4.765 5.060 0.281 1.00 0.00 H new ATOM 0 HA ASN B 27 2.936 4.510 -1.955 1.00 0.00 H new ATOM 0 HB2 ASN B 27 4.233 2.746 -0.494 1.00 0.00 H new ATOM 0 HB3 ASN B 27 2.994 3.074 0.702 1.00 0.00 H new ATOM 0 HD21 ASN B 27 2.234 0.459 -2.224 1.00 0.00 H new ATOM 0 HD22 ASN B 27 3.833 1.006 -1.706 1.00 0.00 H new ATOM 426 N CYS B 28 1.030 5.793 -1.048 1.00 0.00 N ATOM 427 CA CYS B 28 -0.149 6.493 -0.549 1.00 0.00 C ATOM 428 C CYS B 28 -1.428 5.739 -0.905 1.00 0.00 C ATOM 429 O CYS B 28 -1.543 5.167 -1.989 1.00 0.00 O ATOM 430 CB CYS B 28 -0.210 7.913 -1.119 1.00 0.00 C ATOM 431 SG CYS B 28 1.390 8.755 -1.191 1.00 0.00 S ATOM 0 H CYS B 28 1.115 5.780 -2.064 1.00 0.00 H new ATOM 0 HA CYS B 28 -0.069 6.546 0.537 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.631 7.871 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -0.893 8.507 -0.512 1.00 0.00 H new ATOM 0 HG CYS B 28 1.267 9.863 -1.859 1.00 0.00 H new ATOM 437 N TYR B 29 -2.386 5.748 0.016 1.00 0.00 N ATOM 438 CA TYR B 29 -3.659 5.070 -0.195 1.00 0.00 C ATOM 439 C TYR B 29 -4.784 5.802 0.535 1.00 0.00 C ATOM 440 O TYR B 29 -4.930 5.682 1.752 1.00 0.00 O ATOM 441 CB TYR B 29 -3.564 3.613 0.280 1.00 0.00 C ATOM 442 CG TYR B 29 -4.891 2.875 0.369 1.00 0.00 C ATOM 443 CD1 TYR B 29 -6.028 3.338 -0.288 1.00 0.00 C ATOM 444 CD2 TYR B 29 -5.000 1.708 1.116 1.00 0.00 C ATOM 445 CE1 TYR B 29 -7.228 2.659 -0.201 1.00 0.00 C ATOM 446 CE2 TYR B 29 -6.197 1.025 1.205 1.00 0.00 C ATOM 447 CZ TYR B 29 -7.307 1.505 0.547 1.00 0.00 C ATOM 448 OH TYR B 29 -8.502 0.827 0.636 1.00 0.00 O ATOM 0 H TYR B 29 -2.304 6.218 0.917 1.00 0.00 H new ATOM 0 HA TYR B 29 -3.886 5.075 -1.261 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -2.908 3.068 -0.399 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -3.091 3.597 1.262 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -5.971 4.243 -0.875 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -4.133 1.328 1.636 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -8.100 3.031 -0.717 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.262 0.118 1.788 1.00 0.00 H new ATOM 0 HH TYR B 29 -8.387 0.034 1.200 1.00 0.00 H new ATOM 458 N VAL B 30 -5.580 6.553 -0.220 1.00 0.00 N ATOM 459 CA VAL B 30 -6.695 7.294 0.358 1.00 0.00 C ATOM 460 C VAL B 30 -8.001 6.996 -0.373 1.00 0.00 C ATOM 461 O VAL B 30 -8.043 6.958 -1.604 1.00 0.00 O ATOM 462 CB VAL B 30 -6.434 8.814 0.342 1.00 0.00 C ATOM 463 CG1 VAL B 30 -5.134 9.139 1.062 1.00 0.00 C ATOM 464 CG2 VAL B 30 -6.410 9.343 -1.083 1.00 0.00 C ATOM 0 H VAL B 30 -5.474 6.664 -1.228 1.00 0.00 H new ATOM 0 HA VAL B 30 -6.786 6.964 1.393 1.00 0.00 H new ATOM 0 HB VAL B 30 -7.250 9.307 0.870 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -4.966 10.216 1.041 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -5.197 8.802 2.097 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -4.306 8.633 0.565 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -6.224 10.417 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -5.618 8.845 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -7.370 9.147 -1.560 1.00 0.00 H new ATOM 474 N SER B 31 -9.066 6.787 0.399 1.00 0.00 N ATOM 475 CA SER B 31 -10.383 6.489 -0.160 1.00 0.00 C ATOM 476 C SER B 31 -10.454 5.044 -0.640 1.00 0.00 C ATOM 477 O SER B 31 -10.187 4.751 -1.806 1.00 0.00 O ATOM 478 CB SER B 31 -10.713 7.442 -1.312 1.00 0.00 C ATOM 479 OG SER B 31 -10.135 8.719 -1.103 1.00 0.00 O ATOM 0 H SER B 31 -9.042 6.819 1.418 1.00 0.00 H new ATOM 0 HA SER B 31 -11.120 6.629 0.630 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.347 7.024 -2.250 1.00 0.00 H new ATOM 0 HB3 SER B 31 -11.794 7.541 -1.407 1.00 0.00 H new ATOM 0 HG SER B 31 -10.360 9.307 -1.854 1.00 0.00 H new ATOM 485 N GLY B 32 -10.816 4.142 0.268 1.00 0.00 N ATOM 486 CA GLY B 32 -10.916 2.736 -0.078 1.00 0.00 C ATOM 487 C GLY B 32 -11.901 2.482 -1.202 1.00 0.00 C ATOM 488 O GLY B 32 -12.433 3.421 -1.795 1.00 0.00 O ATOM 0 H GLY B 32 -11.042 4.361 1.238 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -9.933 2.367 -0.371 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -11.220 2.170 0.802 1.00 0.00 H new ATOM 492 N PHE B 33 -12.145 1.209 -1.495 1.00 0.00 N ATOM 493 CA PHE B 33 -13.072 0.833 -2.556 1.00 0.00 C ATOM 494 C PHE B 33 -13.486 -0.630 -2.425 1.00 0.00 C ATOM 495 O PHE B 33 -13.137 -1.298 -1.452 1.00 0.00 O ATOM 496 CB PHE B 33 -12.439 1.080 -3.929 1.00 0.00 C ATOM 497 CG PHE B 33 -11.004 0.638 -4.036 1.00 0.00 C ATOM 498 CD1 PHE B 33 -10.592 -0.585 -3.526 1.00 0.00 C ATOM 499 CD2 PHE B 33 -10.067 1.446 -4.661 1.00 0.00 C ATOM 500 CE1 PHE B 33 -9.275 -0.989 -3.635 1.00 0.00 C ATOM 501 CE2 PHE B 33 -8.750 1.045 -4.774 1.00 0.00 C ATOM 502 CZ PHE B 33 -8.353 -0.174 -4.261 1.00 0.00 C ATOM 0 H PHE B 33 -11.714 0.420 -1.013 1.00 0.00 H new ATOM 0 HA PHE B 33 -13.964 1.452 -2.461 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -13.025 0.559 -4.686 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -12.498 2.144 -4.157 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -11.309 -1.229 -3.038 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -10.370 2.401 -5.065 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.967 -1.942 -3.231 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -8.031 1.685 -5.264 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.324 -0.489 -4.349 1.00 0.00 H new ATOM 512 N HIS B 34 -14.226 -1.124 -3.413 1.00 0.00 N ATOM 513 CA HIS B 34 -14.678 -2.510 -3.407 1.00 0.00 C ATOM 514 C HIS B 34 -13.488 -3.467 -3.367 1.00 0.00 C ATOM 515 O HIS B 34 -12.360 -3.077 -3.667 1.00 0.00 O ATOM 516 CB HIS B 34 -15.536 -2.793 -4.643 1.00 0.00 C ATOM 517 CG HIS B 34 -16.545 -1.723 -4.926 1.00 0.00 C ATOM 518 ND1 HIS B 34 -17.781 -1.674 -4.316 1.00 0.00 N ATOM 519 CD2 HIS B 34 -16.495 -0.655 -5.756 1.00 0.00 C ATOM 520 CE1 HIS B 34 -18.447 -0.623 -4.760 1.00 0.00 C ATOM 521 NE2 HIS B 34 -17.688 0.013 -5.633 1.00 0.00 N ATOM 0 H HIS B 34 -14.525 -0.586 -4.226 1.00 0.00 H new ATOM 0 HA HIS B 34 -15.280 -2.669 -2.512 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -14.885 -2.906 -5.510 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -16.053 -3.743 -4.507 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -15.670 -0.380 -6.396 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -19.443 -0.333 -4.460 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -17.946 0.863 -6.135 1.00 0.00 H new ATOM 530 N PRO B 35 -13.724 -4.736 -2.993 1.00 0.00 N ATOM 531 CA PRO B 35 -12.664 -5.746 -2.912 1.00 0.00 C ATOM 532 C PRO B 35 -11.780 -5.771 -4.156 1.00 0.00 C ATOM 533 O PRO B 35 -12.225 -6.153 -5.238 1.00 0.00 O ATOM 534 CB PRO B 35 -13.440 -7.055 -2.779 1.00 0.00 C ATOM 535 CG PRO B 35 -14.715 -6.668 -2.115 1.00 0.00 C ATOM 536 CD PRO B 35 -15.041 -5.286 -2.614 1.00 0.00 C ATOM 0 HA PRO B 35 -11.978 -5.552 -2.088 1.00 0.00 H new ATOM 0 HB2 PRO B 35 -13.622 -7.509 -3.753 1.00 0.00 H new ATOM 0 HB3 PRO B 35 -12.889 -7.784 -2.185 1.00 0.00 H new ATOM 0 HG2 PRO B 35 -15.512 -7.370 -2.362 1.00 0.00 H new ATOM 0 HG3 PRO B 35 -14.608 -6.676 -1.030 1.00 0.00 H new ATOM 0 HD2 PRO B 35 -15.723 -5.317 -3.464 1.00 0.00 H new ATOM 0 HD3 PRO B 35 -15.520 -4.684 -1.842 1.00 0.00 H new ATOM 544 N SER B 36 -10.525 -5.365 -3.991 1.00 0.00 N ATOM 545 CA SER B 36 -9.573 -5.344 -5.096 1.00 0.00 C ATOM 546 C SER B 36 -8.246 -5.968 -4.677 1.00 0.00 C ATOM 547 O SER B 36 -7.944 -6.068 -3.487 1.00 0.00 O ATOM 548 CB SER B 36 -9.345 -3.909 -5.579 1.00 0.00 C ATOM 549 OG SER B 36 -10.422 -3.464 -6.387 1.00 0.00 O ATOM 0 H SER B 36 -10.143 -5.045 -3.101 1.00 0.00 H new ATOM 0 HA SER B 36 -9.991 -5.930 -5.914 1.00 0.00 H new ATOM 0 HB2 SER B 36 -9.233 -3.247 -4.721 1.00 0.00 H new ATOM 0 HB3 SER B 36 -8.415 -3.856 -6.146 1.00 0.00 H new ATOM 0 HG SER B 36 -10.252 -2.545 -6.681 1.00 0.00 H new ATOM 555 N ASP B 37 -7.456 -6.386 -5.661 1.00 0.00 N ATOM 556 CA ASP B 37 -6.161 -7.000 -5.393 1.00 0.00 C ATOM 557 C ASP B 37 -5.022 -6.054 -5.756 1.00 0.00 C ATOM 558 O ASP B 37 -4.723 -5.847 -6.932 1.00 0.00 O ATOM 559 CB ASP B 37 -6.021 -8.309 -6.173 1.00 0.00 C ATOM 560 CG ASP B 37 -5.010 -9.249 -5.545 1.00 0.00 C ATOM 561 OD1 ASP B 37 -3.865 -8.814 -5.304 1.00 0.00 O ATOM 562 OD2 ASP B 37 -5.365 -10.420 -5.294 1.00 0.00 O ATOM 0 H ASP B 37 -7.690 -6.311 -6.651 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.104 -7.213 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -6.991 -8.804 -6.224 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -5.721 -8.088 -7.197 1.00 0.00 H new ATOM 567 N ILE B 38 -4.389 -5.482 -4.737 1.00 0.00 N ATOM 568 CA ILE B 38 -3.280 -4.557 -4.946 1.00 0.00 C ATOM 569 C ILE B 38 -2.012 -5.078 -4.279 1.00 0.00 C ATOM 570 O ILE B 38 -1.971 -5.259 -3.063 1.00 0.00 O ATOM 571 CB ILE B 38 -3.589 -3.147 -4.391 1.00 0.00 C ATOM 572 CG1 ILE B 38 -5.102 -2.908 -4.315 1.00 0.00 C ATOM 573 CG2 ILE B 38 -2.920 -2.082 -5.248 1.00 0.00 C ATOM 574 CD1 ILE B 38 -5.782 -2.863 -5.665 1.00 0.00 C ATOM 0 H ILE B 38 -4.625 -5.643 -3.758 1.00 0.00 H new ATOM 0 HA ILE B 38 -3.133 -4.484 -6.024 1.00 0.00 H new ATOM 0 HB ILE B 38 -3.187 -3.082 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -5.555 -3.698 -3.716 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -5.286 -1.968 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -3.147 -1.095 -4.845 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.841 -2.237 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.292 -2.151 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -6.850 -2.691 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -5.357 -2.055 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -5.630 -3.811 -6.181 1.00 0.00 H new ATOM 586 N GLU B 39 -0.976 -5.321 -5.076 1.00 0.00 N ATOM 587 CA GLU B 39 0.286 -5.823 -4.544 1.00 0.00 C ATOM 588 C GLU B 39 1.467 -5.012 -5.072 1.00 0.00 C ATOM 589 O GLU B 39 1.509 -4.649 -6.247 1.00 0.00 O ATOM 590 CB GLU B 39 0.459 -7.306 -4.890 1.00 0.00 C ATOM 591 CG GLU B 39 0.876 -7.564 -6.330 1.00 0.00 C ATOM 592 CD GLU B 39 2.349 -7.900 -6.454 1.00 0.00 C ATOM 593 OE1 GLU B 39 2.895 -8.527 -5.522 1.00 0.00 O ATOM 594 OE2 GLU B 39 2.957 -7.535 -7.480 1.00 0.00 O ATOM 0 H GLU B 39 -0.985 -5.180 -6.086 1.00 0.00 H new ATOM 0 HA GLU B 39 0.261 -5.716 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU B 39 1.206 -7.739 -4.224 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -0.480 -7.825 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.284 -8.384 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.655 -6.683 -6.933 1.00 0.00 H new ATOM 601 N VAL B 40 2.425 -4.733 -4.193 1.00 0.00 N ATOM 602 CA VAL B 40 3.608 -3.968 -4.570 1.00 0.00 C ATOM 603 C VAL B 40 4.875 -4.624 -4.034 1.00 0.00 C ATOM 604 O VAL B 40 5.045 -4.771 -2.824 1.00 0.00 O ATOM 605 CB VAL B 40 3.532 -2.517 -4.051 1.00 0.00 C ATOM 606 CG1 VAL B 40 4.758 -1.722 -4.484 1.00 0.00 C ATOM 607 CG2 VAL B 40 2.254 -1.846 -4.532 1.00 0.00 C ATOM 0 H VAL B 40 2.405 -5.025 -3.216 1.00 0.00 H new ATOM 0 HA VAL B 40 3.642 -3.951 -5.659 1.00 0.00 H new ATOM 0 HB VAL B 40 3.516 -2.543 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL B 40 4.682 -0.702 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL B 40 5.656 -2.191 -4.083 1.00 0.00 H new ATOM 0 HG13 VAL B 40 4.813 -1.703 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL B 40 2.217 -0.823 -4.157 1.00 0.00 H new ATOM 0 HG22 VAL B 40 2.238 -1.834 -5.622 1.00 0.00 H new ATOM 0 HG23 VAL B 40 1.391 -2.400 -4.162 1.00 0.00 H new ATOM 617 N ASP B 41 5.764 -5.014 -4.940 1.00 0.00 N ATOM 618 CA ASP B 41 7.018 -5.651 -4.556 1.00 0.00 C ATOM 619 C ASP B 41 8.208 -4.872 -5.100 1.00 0.00 C ATOM 620 O ASP B 41 8.503 -4.920 -6.294 1.00 0.00 O ATOM 621 CB ASP B 41 7.060 -7.092 -5.068 1.00 0.00 C ATOM 622 CG ASP B 41 6.969 -7.172 -6.579 1.00 0.00 C ATOM 623 OD1 ASP B 41 5.995 -6.633 -7.145 1.00 0.00 O ATOM 624 OD2 ASP B 41 7.874 -7.772 -7.198 1.00 0.00 O ATOM 0 H ASP B 41 5.640 -4.900 -5.946 1.00 0.00 H new ATOM 0 HA ASP B 41 7.076 -5.658 -3.468 1.00 0.00 H new ATOM 0 HB2 ASP B 41 7.984 -7.565 -4.737 1.00 0.00 H new ATOM 0 HB3 ASP B 41 6.238 -7.655 -4.627 1.00 0.00 H new ATOM 629 N LEU B 42 8.887 -4.145 -4.217 1.00 0.00 N ATOM 630 CA LEU B 42 10.040 -3.344 -4.613 1.00 0.00 C ATOM 631 C LEU B 42 11.204 -3.543 -3.646 1.00 0.00 C ATOM 632 O LEU B 42 11.083 -4.254 -2.648 1.00 0.00 O ATOM 633 CB LEU B 42 9.662 -1.860 -4.676 1.00 0.00 C ATOM 634 CG LEU B 42 8.166 -1.575 -4.849 1.00 0.00 C ATOM 635 CD1 LEU B 42 7.899 -0.081 -4.809 1.00 0.00 C ATOM 636 CD2 LEU B 42 7.655 -2.173 -6.153 1.00 0.00 C ATOM 0 H LEU B 42 8.659 -4.094 -3.224 1.00 0.00 H new ATOM 0 HA LEU B 42 10.354 -3.675 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU B 42 10.005 -1.375 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU B 42 10.202 -1.399 -5.503 1.00 0.00 H new ATOM 0 HG LEU B 42 7.630 -2.042 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU B 42 6.832 0.101 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU B 42 8.227 0.322 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU B 42 8.447 0.408 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU B 42 6.591 -1.961 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU B 42 8.197 -1.735 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU B 42 7.810 -3.252 -6.144 1.00 0.00 H new ATOM 648 N LEU B 43 12.333 -2.908 -3.951 1.00 0.00 N ATOM 649 CA LEU B 43 13.519 -3.013 -3.110 1.00 0.00 C ATOM 650 C LEU B 43 14.166 -1.645 -2.913 1.00 0.00 C ATOM 651 O LEU B 43 14.481 -1.253 -1.790 1.00 0.00 O ATOM 652 CB LEU B 43 14.528 -3.982 -3.731 1.00 0.00 C ATOM 653 CG LEU B 43 15.851 -4.117 -2.969 1.00 0.00 C ATOM 654 CD1 LEU B 43 15.875 -5.408 -2.166 1.00 0.00 C ATOM 655 CD2 LEU B 43 17.029 -4.066 -3.931 1.00 0.00 C ATOM 0 H LEU B 43 12.450 -2.316 -4.774 1.00 0.00 H new ATOM 0 HA LEU B 43 13.212 -3.395 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU B 43 14.066 -4.967 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU B 43 14.744 -3.655 -4.748 1.00 0.00 H new ATOM 0 HG LEU B 43 15.935 -3.279 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU B 43 16.822 -5.487 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU B 43 15.053 -5.406 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU B 43 15.767 -6.258 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU B 43 17.960 -4.163 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU B 43 16.949 -4.883 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU B 43 17.023 -3.115 -4.463 1.00 0.00 H new ATOM 667 N LYS B 44 14.364 -0.926 -4.012 1.00 0.00 N ATOM 668 CA LYS B 44 14.973 0.398 -3.961 1.00 0.00 C ATOM 669 C LYS B 44 13.993 1.429 -3.411 1.00 0.00 C ATOM 670 O LYS B 44 13.086 1.034 -2.648 1.00 0.00 O ATOM 671 CB LYS B 44 15.445 0.818 -5.355 1.00 0.00 C ATOM 672 CG LYS B 44 16.182 -0.280 -6.105 1.00 0.00 C ATOM 673 CD LYS B 44 17.240 0.294 -7.033 1.00 0.00 C ATOM 674 CE LYS B 44 16.695 0.502 -8.436 1.00 0.00 C ATOM 675 NZ LYS B 44 16.047 -0.728 -8.968 1.00 0.00 N ATOM 676 OXT LYS B 44 14.140 2.623 -3.747 1.00 0.00 O ATOM 0 H LYS B 44 14.112 -1.238 -4.950 1.00 0.00 H new ATOM 0 HA LYS B 44 15.832 0.349 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS B 44 14.582 1.131 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS B 44 16.099 1.685 -5.262 1.00 0.00 H new ATOM 0 HG2 LYS B 44 16.651 -0.958 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS B 44 15.470 -0.869 -6.683 1.00 0.00 H new ATOM 0 HD2 LYS B 44 17.598 1.244 -6.636 1.00 0.00 H new ATOM 0 HD3 LYS B 44 18.097 -0.379 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS B 44 15.973 1.318 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS B 44 17.506 0.801 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 16.145 -0.752 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 16.504 -1.567 -8.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 15.038 -0.726 -8.716 1.00 0.00 H new ATOM 691 N SER C 45 14.579 4.044 5.915 1.00 0.00 N ATOM 692 CA SER C 45 15.002 4.211 4.499 1.00 0.00 C ATOM 693 C SER C 45 13.953 4.974 3.695 1.00 0.00 C ATOM 694 O SER C 45 13.644 4.614 2.560 1.00 0.00 O ATOM 695 CB SER C 45 15.228 2.824 3.893 1.00 0.00 C ATOM 696 OG SER C 45 14.102 1.988 4.097 1.00 0.00 O ATOM 0 HA SER C 45 15.924 4.791 4.466 1.00 0.00 H new ATOM 0 HB2 SER C 45 15.426 2.918 2.825 1.00 0.00 H new ATOM 0 HB3 SER C 45 16.110 2.367 4.342 1.00 0.00 H new ATOM 0 HG SER C 45 13.689 2.201 4.960 1.00 0.00 H new ATOM 704 N ASN C 46 13.411 6.030 4.294 1.00 0.00 N ATOM 705 CA ASN C 46 12.396 6.846 3.636 1.00 0.00 C ATOM 706 C ASN C 46 11.180 6.003 3.258 1.00 0.00 C ATOM 707 O ASN C 46 10.851 5.856 2.076 1.00 0.00 O ATOM 708 CB ASN C 46 12.979 7.518 2.392 1.00 0.00 C ATOM 709 CG ASN C 46 13.925 8.652 2.736 1.00 0.00 C ATOM 710 OD1 ASN C 46 14.107 8.990 3.904 1.00 0.00 O ATOM 711 ND2 ASN C 46 14.533 9.245 1.715 1.00 0.00 N ATOM 0 H ASN C 46 13.658 6.341 5.234 1.00 0.00 H new ATOM 0 HA ASN C 46 12.074 7.617 4.336 1.00 0.00 H new ATOM 0 HB2 ASN C 46 13.509 6.775 1.796 1.00 0.00 H new ATOM 0 HB3 ASN C 46 12.166 7.901 1.775 1.00 0.00 H new ATOM 0 HD21 ASN C 46 15.181 10.014 1.884 1.00 0.00 H new ATOM 0 HD22 ASN C 46 14.352 8.931 0.762 1.00 0.00 H new ATOM 718 N PHE C 47 10.516 5.454 4.273 1.00 0.00 N ATOM 719 CA PHE C 47 9.334 4.625 4.064 1.00 0.00 C ATOM 720 C PHE C 47 8.069 5.391 4.444 1.00 0.00 C ATOM 721 O PHE C 47 7.913 5.821 5.587 1.00 0.00 O ATOM 722 CB PHE C 47 9.449 3.336 4.886 1.00 0.00 C ATOM 723 CG PHE C 47 8.184 2.526 4.940 1.00 0.00 C ATOM 724 CD1 PHE C 47 7.370 2.406 3.826 1.00 0.00 C ATOM 725 CD2 PHE C 47 7.813 1.881 6.109 1.00 0.00 C ATOM 726 CE1 PHE C 47 6.208 1.659 3.876 1.00 0.00 C ATOM 727 CE2 PHE C 47 6.652 1.134 6.167 1.00 0.00 C ATOM 728 CZ PHE C 47 5.848 1.021 5.049 1.00 0.00 C ATOM 0 H PHE C 47 10.779 5.570 5.252 1.00 0.00 H new ATOM 0 HA PHE C 47 9.269 4.364 3.008 1.00 0.00 H new ATOM 0 HB2 PHE C 47 10.244 2.720 4.466 1.00 0.00 H new ATOM 0 HB3 PHE C 47 9.747 3.592 5.903 1.00 0.00 H new ATOM 0 HD1 PHE C 47 7.646 2.902 2.907 1.00 0.00 H new ATOM 0 HD2 PHE C 47 8.439 1.963 6.985 1.00 0.00 H new ATOM 0 HE1 PHE C 47 5.582 1.574 3.000 1.00 0.00 H new ATOM 0 HE2 PHE C 47 6.373 0.639 7.085 1.00 0.00 H new ATOM 0 HZ PHE C 47 4.941 0.436 5.091 1.00 0.00 H new ATOM 738 N LEU C 48 7.172 5.565 3.478 1.00 0.00 N ATOM 739 CA LEU C 48 5.926 6.287 3.715 1.00 0.00 C ATOM 740 C LEU C 48 4.716 5.447 3.319 1.00 0.00 C ATOM 741 O LEU C 48 4.466 5.216 2.137 1.00 0.00 O ATOM 742 CB LEU C 48 5.921 7.605 2.937 1.00 0.00 C ATOM 743 CG LEU C 48 4.642 8.433 3.073 1.00 0.00 C ATOM 744 CD1 LEU C 48 4.335 8.704 4.536 1.00 0.00 C ATOM 745 CD2 LEU C 48 4.769 9.741 2.304 1.00 0.00 C ATOM 0 H LEU C 48 7.284 5.217 2.526 1.00 0.00 H new ATOM 0 HA LEU C 48 5.860 6.498 4.782 1.00 0.00 H new ATOM 0 HB2 LEU C 48 6.764 8.210 3.271 1.00 0.00 H new ATOM 0 HB3 LEU C 48 6.084 7.387 1.882 1.00 0.00 H new ATOM 0 HG LEU C 48 3.816 7.862 2.648 1.00 0.00 H new ATOM 0 HD11 LEU C 48 3.422 9.294 4.613 1.00 0.00 H new ATOM 0 HD12 LEU C 48 4.201 7.758 5.061 1.00 0.00 H new ATOM 0 HD13 LEU C 48 5.162 9.254 4.985 1.00 0.00 H new ATOM 0 HD21 LEU C 48 3.850 10.317 2.412 1.00 0.00 H new ATOM 0 HD22 LEU C 48 5.606 10.316 2.700 1.00 0.00 H new ATOM 0 HD23 LEU C 48 4.942 9.528 1.249 1.00 0.00 H new ATOM 757 N ASN C 49 3.964 5.003 4.321 1.00 0.00 N ATOM 758 CA ASN C 49 2.772 4.196 4.089 1.00 0.00 C ATOM 759 C ASN C 49 1.581 4.795 4.829 1.00 0.00 C ATOM 760 O ASN C 49 1.457 4.648 6.044 1.00 0.00 O ATOM 761 CB ASN C 49 3.005 2.754 4.543 1.00 0.00 C ATOM 762 CG ASN C 49 3.321 2.657 6.023 1.00 0.00 C ATOM 763 OD1 ASN C 49 2.515 2.163 6.811 1.00 0.00 O ATOM 764 ND2 ASN C 49 4.501 3.131 6.410 1.00 0.00 N ATOM 0 H ASN C 49 4.160 5.189 5.304 1.00 0.00 H new ATOM 0 HA ASN C 49 2.558 4.192 3.020 1.00 0.00 H new ATOM 0 HB2 ASN C 49 2.118 2.159 4.324 1.00 0.00 H new ATOM 0 HB3 ASN C 49 3.827 2.324 3.970 1.00 0.00 H new ATOM 0 HD21 ASN C 49 4.768 3.093 7.394 1.00 0.00 H new ATOM 0 HD22 ASN C 49 5.139 3.532 5.723 1.00 0.00 H new ATOM 771 N CYS C 50 0.711 5.484 4.097 1.00 0.00 N ATOM 772 CA CYS C 50 -0.459 6.114 4.703 1.00 0.00 C ATOM 773 C CYS C 50 -1.760 5.519 4.168 1.00 0.00 C ATOM 774 O CYS C 50 -1.924 5.341 2.961 1.00 0.00 O ATOM 775 CB CYS C 50 -0.435 7.623 4.449 1.00 0.00 C ATOM 776 SG CYS C 50 -0.247 8.077 2.709 1.00 0.00 S ATOM 0 H CYS C 50 0.792 5.620 3.089 1.00 0.00 H new ATOM 0 HA CYS C 50 -0.419 5.924 5.776 1.00 0.00 H new ATOM 0 HB2 CYS C 50 -1.359 8.059 4.829 1.00 0.00 H new ATOM 0 HB3 CYS C 50 0.383 8.063 5.019 1.00 0.00 H new ATOM 0 HG CYS C 50 -0.240 9.372 2.597 1.00 0.00 H new ATOM 782 N TYR C 51 -2.687 5.225 5.079 1.00 0.00 N ATOM 783 CA TYR C 51 -3.980 4.665 4.701 1.00 0.00 C ATOM 784 C TYR C 51 -5.109 5.333 5.483 1.00 0.00 C ATOM 785 O TYR C 51 -5.085 5.384 6.718 1.00 0.00 O ATOM 786 CB TYR C 51 -4.001 3.145 4.913 1.00 0.00 C ATOM 787 CG TYR C 51 -3.998 2.711 6.364 1.00 0.00 C ATOM 788 CD1 TYR C 51 -5.173 2.687 7.106 1.00 0.00 C ATOM 789 CD2 TYR C 51 -2.821 2.312 6.988 1.00 0.00 C ATOM 790 CE1 TYR C 51 -5.174 2.281 8.427 1.00 0.00 C ATOM 791 CE2 TYR C 51 -2.815 1.903 8.308 1.00 0.00 C ATOM 792 CZ TYR C 51 -3.993 1.890 9.024 1.00 0.00 C ATOM 793 OH TYR C 51 -3.991 1.484 10.339 1.00 0.00 O ATOM 0 H TYR C 51 -2.565 5.366 6.082 1.00 0.00 H new ATOM 0 HA TYR C 51 -4.136 4.862 3.640 1.00 0.00 H new ATOM 0 HB2 TYR C 51 -4.887 2.736 4.427 1.00 0.00 H new ATOM 0 HB3 TYR C 51 -3.134 2.710 4.415 1.00 0.00 H new ATOM 0 HD1 TYR C 51 -6.100 2.991 6.643 1.00 0.00 H new ATOM 0 HD2 TYR C 51 -1.896 2.322 6.431 1.00 0.00 H new ATOM 0 HE1 TYR C 51 -6.096 2.270 8.990 1.00 0.00 H new ATOM 0 HE2 TYR C 51 -1.892 1.595 8.776 1.00 0.00 H new ATOM 0 HH TYR C 51 -3.601 0.587 10.404 1.00 0.00 H new ATOM 803 N VAL C 52 -6.092 5.856 4.751 1.00 0.00 N ATOM 804 CA VAL C 52 -7.232 6.533 5.364 1.00 0.00 C ATOM 805 C VAL C 52 -8.551 6.040 4.766 1.00 0.00 C ATOM 806 O VAL C 52 -8.760 6.120 3.554 1.00 0.00 O ATOM 807 CB VAL C 52 -7.129 8.073 5.201 1.00 0.00 C ATOM 808 CG1 VAL C 52 -5.692 8.539 5.377 1.00 0.00 C ATOM 809 CG2 VAL C 52 -7.667 8.528 3.849 1.00 0.00 C ATOM 0 H VAL C 52 -6.121 5.823 3.732 1.00 0.00 H new ATOM 0 HA VAL C 52 -7.214 6.293 6.427 1.00 0.00 H new ATOM 0 HB VAL C 52 -7.743 8.526 5.979 1.00 0.00 H new ATOM 0 HG11 VAL C 52 -5.643 9.621 5.259 1.00 0.00 H new ATOM 0 HG12 VAL C 52 -5.340 8.267 6.372 1.00 0.00 H new ATOM 0 HG13 VAL C 52 -5.061 8.063 4.626 1.00 0.00 H new ATOM 0 HG21 VAL C 52 -7.580 9.612 3.769 1.00 0.00 H new ATOM 0 HG22 VAL C 52 -7.092 8.057 3.052 1.00 0.00 H new ATOM 0 HG23 VAL C 52 -8.715 8.241 3.759 1.00 0.00 H new ATOM 819 N SER C 53 -9.439 5.532 5.622 1.00 0.00 N ATOM 820 CA SER C 53 -10.740 5.030 5.172 1.00 0.00 C ATOM 821 C SER C 53 -11.413 4.187 6.255 1.00 0.00 C ATOM 822 O SER C 53 -12.253 4.683 7.008 1.00 0.00 O ATOM 823 CB SER C 53 -10.592 4.205 3.888 1.00 0.00 C ATOM 824 OG SER C 53 -10.898 4.983 2.745 1.00 0.00 O ATOM 0 H SER C 53 -9.283 5.457 6.627 1.00 0.00 H new ATOM 0 HA SER C 53 -11.370 5.895 4.966 1.00 0.00 H new ATOM 0 HB2 SER C 53 -9.573 3.825 3.811 1.00 0.00 H new ATOM 0 HB3 SER C 53 -11.253 3.339 3.930 1.00 0.00 H new ATOM 0 HG SER C 53 -10.158 5.598 2.560 1.00 0.00 H new ATOM 830 N GLY C 54 -11.044 2.911 6.323 1.00 0.00 N ATOM 831 CA GLY C 54 -11.622 2.016 7.309 1.00 0.00 C ATOM 832 C GLY C 54 -11.058 0.611 7.207 1.00 0.00 C ATOM 833 O GLY C 54 -10.836 -0.053 8.219 1.00 0.00 O ATOM 0 H GLY C 54 -10.352 2.480 5.710 1.00 0.00 H new ATOM 0 HA2 GLY C 54 -11.435 2.409 8.308 1.00 0.00 H new ATOM 0 HA3 GLY C 54 -12.703 1.982 7.177 1.00 0.00 H new ATOM 837 N PHE C 55 -10.819 0.165 5.977 1.00 0.00 N ATOM 838 CA PHE C 55 -10.269 -1.164 5.732 1.00 0.00 C ATOM 839 C PHE C 55 -11.242 -2.258 6.162 1.00 0.00 C ATOM 840 O PHE C 55 -11.720 -2.264 7.296 1.00 0.00 O ATOM 841 CB PHE C 55 -8.936 -1.331 6.468 1.00 0.00 C ATOM 842 CG PHE C 55 -7.739 -1.182 5.574 1.00 0.00 C ATOM 843 CD1 PHE C 55 -7.384 0.060 5.072 1.00 0.00 C ATOM 844 CD2 PHE C 55 -6.972 -2.283 5.232 1.00 0.00 C ATOM 845 CE1 PHE C 55 -6.286 0.201 4.246 1.00 0.00 C ATOM 846 CE2 PHE C 55 -5.872 -2.149 4.407 1.00 0.00 C ATOM 847 CZ PHE C 55 -5.529 -0.907 3.912 1.00 0.00 C ATOM 0 H PHE C 55 -10.999 0.707 5.132 1.00 0.00 H new ATOM 0 HA PHE C 55 -10.102 -1.262 4.659 1.00 0.00 H new ATOM 0 HB2 PHE C 55 -8.876 -0.594 7.268 1.00 0.00 H new ATOM 0 HB3 PHE C 55 -8.909 -2.314 6.938 1.00 0.00 H new ATOM 0 HD1 PHE C 55 -7.973 0.928 5.330 1.00 0.00 H new ATOM 0 HD2 PHE C 55 -7.237 -3.258 5.615 1.00 0.00 H new ATOM 0 HE1 PHE C 55 -6.019 1.174 3.862 1.00 0.00 H new ATOM 0 HE2 PHE C 55 -5.281 -3.015 4.150 1.00 0.00 H new ATOM 0 HZ PHE C 55 -4.671 -0.801 3.265 1.00 0.00 H new ATOM 857 N HIS C 56 -11.519 -3.187 5.246 1.00 0.00 N ATOM 858 CA HIS C 56 -12.424 -4.301 5.517 1.00 0.00 C ATOM 859 C HIS C 56 -12.600 -5.179 4.278 1.00 0.00 C ATOM 860 O HIS C 56 -12.463 -6.400 4.352 1.00 0.00 O ATOM 861 CB HIS C 56 -13.791 -3.799 5.994 1.00 0.00 C ATOM 862 CG HIS C 56 -14.545 -4.808 6.803 1.00 0.00 C ATOM 863 ND1 HIS C 56 -14.932 -4.589 8.110 1.00 0.00 N ATOM 864 CD2 HIS C 56 -14.988 -6.048 6.485 1.00 0.00 C ATOM 865 CE1 HIS C 56 -15.579 -5.651 8.558 1.00 0.00 C ATOM 866 NE2 HIS C 56 -15.626 -6.549 7.592 1.00 0.00 N ATOM 0 H HIS C 56 -11.126 -3.188 4.305 1.00 0.00 H new ATOM 0 HA HIS C 56 -11.975 -4.899 6.310 1.00 0.00 H new ATOM 0 HB2 HIS C 56 -13.651 -2.897 6.590 1.00 0.00 H new ATOM 0 HB3 HIS C 56 -14.390 -3.518 5.127 1.00 0.00 H new ATOM 0 HD2 HIS C 56 -14.862 -6.549 5.537 1.00 0.00 H new ATOM 0 HE1 HIS C 56 -15.998 -5.765 9.547 1.00 0.00 H new ATOM 0 HE2 HIS C 56 -16.066 -7.467 7.658 1.00 0.00 H new ATOM 875 N PRO C 57 -12.920 -4.571 3.119 1.00 0.00 N ATOM 876 CA PRO C 57 -13.126 -5.302 1.876 1.00 0.00 C ATOM 877 C PRO C 57 -11.859 -5.421 1.029 1.00 0.00 C ATOM 878 O PRO C 57 -11.462 -6.521 0.644 1.00 0.00 O ATOM 879 CB PRO C 57 -14.167 -4.443 1.162 1.00 0.00 C ATOM 880 CG PRO C 57 -13.936 -3.042 1.649 1.00 0.00 C ATOM 881 CD PRO C 57 -13.121 -3.127 2.923 1.00 0.00 C ATOM 0 HA PRO C 57 -13.428 -6.334 2.052 1.00 0.00 H new ATOM 0 HB2 PRO C 57 -14.052 -4.506 0.080 1.00 0.00 H new ATOM 0 HB3 PRO C 57 -15.178 -4.777 1.395 1.00 0.00 H new ATOM 0 HG2 PRO C 57 -13.408 -2.457 0.896 1.00 0.00 H new ATOM 0 HG3 PRO C 57 -14.886 -2.540 1.835 1.00 0.00 H new ATOM 0 HD2 PRO C 57 -12.171 -2.601 2.825 1.00 0.00 H new ATOM 0 HD3 PRO C 57 -13.648 -2.679 3.765 1.00 0.00 H new ATOM 889 N SER C 58 -11.235 -4.285 0.734 1.00 0.00 N ATOM 890 CA SER C 58 -10.022 -4.261 -0.079 1.00 0.00 C ATOM 891 C SER C 58 -8.955 -5.203 0.470 1.00 0.00 C ATOM 892 O SER C 58 -8.966 -5.563 1.649 1.00 0.00 O ATOM 893 CB SER C 58 -9.467 -2.838 -0.154 1.00 0.00 C ATOM 894 OG SER C 58 -8.332 -2.776 -1.001 1.00 0.00 O ATOM 0 H SER C 58 -11.550 -3.366 1.046 1.00 0.00 H new ATOM 0 HA SER C 58 -10.289 -4.603 -1.079 1.00 0.00 H new ATOM 0 HB2 SER C 58 -10.238 -2.163 -0.525 1.00 0.00 H new ATOM 0 HB3 SER C 58 -9.198 -2.496 0.845 1.00 0.00 H new ATOM 0 HG SER C 58 -7.998 -1.855 -1.033 1.00 0.00 H new ATOM 900 N ASP C 59 -8.029 -5.595 -0.397 1.00 0.00 N ATOM 901 CA ASP C 59 -6.947 -6.489 -0.011 1.00 0.00 C ATOM 902 C ASP C 59 -5.640 -6.058 -0.666 1.00 0.00 C ATOM 903 O ASP C 59 -5.405 -6.335 -1.843 1.00 0.00 O ATOM 904 CB ASP C 59 -7.280 -7.930 -0.402 1.00 0.00 C ATOM 905 CG ASP C 59 -8.222 -8.593 0.584 1.00 0.00 C ATOM 906 OD1 ASP C 59 -9.227 -7.957 0.965 1.00 0.00 O ATOM 907 OD2 ASP C 59 -7.954 -9.748 0.977 1.00 0.00 O ATOM 0 H ASP C 59 -8.007 -5.306 -1.375 1.00 0.00 H new ATOM 0 HA ASP C 59 -6.829 -6.438 1.071 1.00 0.00 H new ATOM 0 HB2 ASP C 59 -7.731 -7.939 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP C 59 -6.358 -8.509 -0.465 1.00 0.00 H new ATOM 912 N ILE C 60 -4.794 -5.373 0.097 1.00 0.00 N ATOM 913 CA ILE C 60 -3.517 -4.901 -0.421 1.00 0.00 C ATOM 914 C ILE C 60 -2.346 -5.572 0.290 1.00 0.00 C ATOM 915 O ILE C 60 -2.407 -5.843 1.492 1.00 0.00 O ATOM 916 CB ILE C 60 -3.389 -3.373 -0.278 1.00 0.00 C ATOM 917 CG1 ILE C 60 -4.596 -2.677 -0.910 1.00 0.00 C ATOM 918 CG2 ILE C 60 -2.093 -2.879 -0.910 1.00 0.00 C ATOM 919 CD1 ILE C 60 -4.882 -1.311 -0.329 1.00 0.00 C ATOM 0 H ILE C 60 -4.970 -5.134 1.073 1.00 0.00 H new ATOM 0 HA ILE C 60 -3.487 -5.165 -1.478 1.00 0.00 H new ATOM 0 HB ILE C 60 -3.364 -3.127 0.784 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.427 -2.578 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -5.476 -3.308 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -2.023 -1.797 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -1.244 -3.351 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -2.084 -3.135 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -5.751 -0.879 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -5.083 -1.404 0.738 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -4.018 -0.663 -0.480 1.00 0.00 H new ATOM 931 N GLU C 61 -1.282 -5.838 -0.461 1.00 0.00 N ATOM 932 CA GLU C 61 -0.096 -6.479 0.096 1.00 0.00 C ATOM 933 C GLU C 61 1.177 -5.799 -0.396 1.00 0.00 C ATOM 934 O GLU C 61 1.805 -6.251 -1.354 1.00 0.00 O ATOM 935 CB GLU C 61 -0.070 -7.963 -0.277 1.00 0.00 C ATOM 936 CG GLU C 61 -0.284 -8.225 -1.759 1.00 0.00 C ATOM 937 CD GLU C 61 -0.563 -9.685 -2.059 1.00 0.00 C ATOM 938 OE1 GLU C 61 -0.236 -10.539 -1.208 1.00 0.00 O ATOM 939 OE2 GLU C 61 -1.107 -9.975 -3.145 1.00 0.00 O ATOM 0 H GLU C 61 -1.217 -5.620 -1.455 1.00 0.00 H new ATOM 0 HA GLU C 61 -0.140 -6.383 1.181 1.00 0.00 H new ATOM 0 HB2 GLU C 61 0.888 -8.387 0.023 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -0.841 -8.485 0.290 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -1.117 -7.619 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU C 61 0.600 -7.907 -2.312 1.00 0.00 H new ATOM 946 N VAL C 62 1.560 -4.716 0.273 1.00 0.00 N ATOM 947 CA VAL C 62 2.766 -3.983 -0.091 1.00 0.00 C ATOM 948 C VAL C 62 3.984 -4.600 0.587 1.00 0.00 C ATOM 949 O VAL C 62 4.053 -4.659 1.816 1.00 0.00 O ATOM 950 CB VAL C 62 2.668 -2.496 0.302 1.00 0.00 C ATOM 951 CG1 VAL C 62 3.937 -1.748 -0.089 1.00 0.00 C ATOM 952 CG2 VAL C 62 1.444 -1.856 -0.336 1.00 0.00 C ATOM 0 H VAL C 62 1.053 -4.328 1.069 1.00 0.00 H new ATOM 0 HA VAL C 62 2.871 -4.048 -1.174 1.00 0.00 H new ATOM 0 HB VAL C 62 2.561 -2.434 1.385 1.00 0.00 H new ATOM 0 HG11 VAL C 62 3.845 -0.701 0.198 1.00 0.00 H new ATOM 0 HG12 VAL C 62 4.792 -2.190 0.422 1.00 0.00 H new ATOM 0 HG13 VAL C 62 4.083 -1.817 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL C 62 1.390 -0.806 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL C 62 1.518 -1.931 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL C 62 0.545 -2.372 0.003 1.00 0.00 H new ATOM 962 N ASP C 63 4.938 -5.064 -0.214 1.00 0.00 N ATOM 963 CA ASP C 63 6.146 -5.682 0.319 1.00 0.00 C ATOM 964 C ASP C 63 7.392 -4.898 -0.086 1.00 0.00 C ATOM 965 O ASP C 63 7.632 -4.664 -1.271 1.00 0.00 O ATOM 966 CB ASP C 63 6.262 -7.131 -0.162 1.00 0.00 C ATOM 967 CG ASP C 63 6.370 -7.239 -1.668 1.00 0.00 C ATOM 968 OD1 ASP C 63 5.322 -7.181 -2.346 1.00 0.00 O ATOM 969 OD2 ASP C 63 7.503 -7.384 -2.172 1.00 0.00 O ATOM 0 H ASP C 63 4.898 -5.024 -1.232 1.00 0.00 H new ATOM 0 HA ASP C 63 6.073 -5.672 1.407 1.00 0.00 H new ATOM 0 HB2 ASP C 63 7.137 -7.592 0.295 1.00 0.00 H new ATOM 0 HB3 ASP C 63 5.392 -7.693 0.177 1.00 0.00 H new ATOM 974 N LEU C 64 8.183 -4.503 0.907 1.00 0.00 N ATOM 975 CA LEU C 64 9.409 -3.753 0.659 1.00 0.00 C ATOM 976 C LEU C 64 10.630 -4.541 1.122 1.00 0.00 C ATOM 977 O LEU C 64 10.659 -5.060 2.239 1.00 0.00 O ATOM 978 CB LEU C 64 9.371 -2.400 1.375 1.00 0.00 C ATOM 979 CG LEU C 64 8.099 -1.569 1.177 1.00 0.00 C ATOM 980 CD1 LEU C 64 7.763 -1.421 -0.301 1.00 0.00 C ATOM 981 CD2 LEU C 64 6.932 -2.187 1.930 1.00 0.00 C ATOM 0 H LEU C 64 7.996 -4.690 1.892 1.00 0.00 H new ATOM 0 HA LEU C 64 9.483 -3.585 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU C 64 9.505 -2.573 2.443 1.00 0.00 H new ATOM 0 HB3 LEU C 64 10.223 -1.809 1.038 1.00 0.00 H new ATOM 0 HG LEU C 64 8.284 -0.574 1.581 1.00 0.00 H new ATOM 0 HD11 LEU C 64 6.856 -0.827 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU C 64 8.587 -0.924 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU C 64 7.606 -2.407 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU C 64 6.039 -1.582 1.776 1.00 0.00 H new ATOM 0 HD22 LEU C 64 6.754 -3.197 1.560 1.00 0.00 H new ATOM 0 HD23 LEU C 64 7.165 -2.226 2.994 1.00 0.00 H new ATOM 993 N LEU C 65 11.639 -4.622 0.259 1.00 0.00 N ATOM 994 CA LEU C 65 12.866 -5.341 0.583 1.00 0.00 C ATOM 995 C LEU C 65 12.577 -6.812 0.868 1.00 0.00 C ATOM 996 O LEU C 65 11.430 -7.255 0.797 1.00 0.00 O ATOM 997 CB LEU C 65 13.552 -4.700 1.791 1.00 0.00 C ATOM 998 CG LEU C 65 14.006 -3.253 1.589 1.00 0.00 C ATOM 999 CD1 LEU C 65 14.915 -3.143 0.375 1.00 0.00 C ATOM 1000 CD2 LEU C 65 12.804 -2.332 1.443 1.00 0.00 C ATOM 0 H LEU C 65 11.631 -4.199 -0.669 1.00 0.00 H new ATOM 0 HA LEU C 65 13.531 -5.282 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU C 65 12.867 -4.734 2.638 1.00 0.00 H new ATOM 0 HB3 LEU C 65 14.420 -5.303 2.058 1.00 0.00 H new ATOM 0 HG LEU C 65 14.570 -2.944 2.469 1.00 0.00 H new ATOM 0 HD11 LEU C 65 15.228 -2.107 0.247 1.00 0.00 H new ATOM 0 HD12 LEU C 65 15.793 -3.772 0.520 1.00 0.00 H new ATOM 0 HD13 LEU C 65 14.376 -3.472 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU C 65 13.146 -1.307 1.300 1.00 0.00 H new ATOM 0 HD22 LEU C 65 12.212 -2.640 0.581 1.00 0.00 H new ATOM 0 HD23 LEU C 65 12.191 -2.388 2.343 1.00 0.00 H new ATOM 1012 N LYS C 66 13.624 -7.564 1.191 1.00 0.00 N ATOM 1013 CA LYS C 66 13.482 -8.985 1.489 1.00 0.00 C ATOM 1014 C LYS C 66 14.821 -9.592 1.895 1.00 0.00 C ATOM 1015 O LYS C 66 15.707 -8.829 2.334 1.00 0.00 O ATOM 1016 CB LYS C 66 12.914 -9.729 0.277 1.00 0.00 C ATOM 1017 CG LYS C 66 11.857 -10.758 0.639 1.00 0.00 C ATOM 1018 CD LYS C 66 12.479 -12.018 1.216 1.00 0.00 C ATOM 1019 CE LYS C 66 12.615 -11.931 2.728 1.00 0.00 C ATOM 1020 NZ LYS C 66 11.306 -12.109 3.414 1.00 0.00 N ATOM 1021 OXT LYS C 66 14.974 -10.826 1.767 1.00 0.00 O ATOM 0 H LYS C 66 14.580 -7.213 1.253 1.00 0.00 H new ATOM 0 HA LYS C 66 12.790 -9.088 2.325 1.00 0.00 H new ATOM 0 HB2 LYS C 66 12.483 -9.005 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS C 66 13.729 -10.226 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS C 66 11.164 -10.329 1.363 1.00 0.00 H new ATOM 0 HG3 LYS C 66 11.276 -11.011 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS C 66 11.866 -12.880 0.954 1.00 0.00 H new ATOM 0 HD3 LYS C 66 13.461 -12.177 0.770 1.00 0.00 H new ATOM 0 HE2 LYS C 66 13.313 -12.693 3.074 1.00 0.00 H new ATOM 0 HE3 LYS C 66 13.039 -10.964 2.999 1.00 0.00 H new ATOM 0 HZ1 LYS C 66 11.464 -12.246 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS C 66 10.719 -11.264 3.266 1.00 0.00 H new ATOM 0 HZ3 LYS C 66 10.820 -12.941 3.024 1.00 0.00 H new ATOM 1036 N SER D 67 11.094 8.711 12.190 1.00 0.00 N ATOM 1037 CA SER D 67 11.876 7.448 12.259 1.00 0.00 C ATOM 1038 C SER D 67 11.795 6.679 10.944 1.00 0.00 C ATOM 1039 O SER D 67 11.722 5.451 10.935 1.00 0.00 O ATOM 1040 CB SER D 67 11.326 6.598 13.405 1.00 0.00 C ATOM 1041 OG SER D 67 9.910 6.647 13.443 1.00 0.00 O ATOM 0 HA SER D 67 12.925 7.683 12.437 1.00 0.00 H new ATOM 0 HB2 SER D 67 11.654 5.565 13.286 1.00 0.00 H new ATOM 0 HB3 SER D 67 11.731 6.954 14.352 1.00 0.00 H new ATOM 0 HG SER D 67 9.607 7.546 13.196 1.00 0.00 H new ATOM 1049 N ASN D 68 11.808 7.418 9.836 1.00 0.00 N ATOM 1050 CA ASN D 68 11.738 6.824 8.501 1.00 0.00 C ATOM 1051 C ASN D 68 10.521 5.909 8.352 1.00 0.00 C ATOM 1052 O ASN D 68 10.466 5.085 7.437 1.00 0.00 O ATOM 1053 CB ASN D 68 13.032 6.054 8.191 1.00 0.00 C ATOM 1054 CG ASN D 68 13.050 4.652 8.775 1.00 0.00 C ATOM 1055 OD1 ASN D 68 12.352 3.757 8.296 1.00 0.00 O ATOM 1056 ND2 ASN D 68 13.850 4.453 9.816 1.00 0.00 N ATOM 0 H ASN D 68 11.867 8.436 9.837 1.00 0.00 H new ATOM 0 HA ASN D 68 11.628 7.636 7.782 1.00 0.00 H new ATOM 0 HB2 ASN D 68 13.160 5.992 7.110 1.00 0.00 H new ATOM 0 HB3 ASN D 68 13.882 6.614 8.581 1.00 0.00 H new ATOM 0 HD21 ASN D 68 13.903 3.531 10.250 1.00 0.00 H new ATOM 0 HD22 ASN D 68 14.412 5.222 10.182 1.00 0.00 H new ATOM 1063 N PHE D 69 9.545 6.062 9.246 1.00 0.00 N ATOM 1064 CA PHE D 69 8.336 5.247 9.202 1.00 0.00 C ATOM 1065 C PHE D 69 7.099 6.096 9.474 1.00 0.00 C ATOM 1066 O PHE D 69 6.710 6.292 10.626 1.00 0.00 O ATOM 1067 CB PHE D 69 8.427 4.109 10.223 1.00 0.00 C ATOM 1068 CG PHE D 69 7.159 3.310 10.349 1.00 0.00 C ATOM 1069 CD1 PHE D 69 6.931 2.216 9.530 1.00 0.00 C ATOM 1070 CD2 PHE D 69 6.197 3.656 11.285 1.00 0.00 C ATOM 1071 CE1 PHE D 69 5.766 1.481 9.642 1.00 0.00 C ATOM 1072 CE2 PHE D 69 5.031 2.924 11.401 1.00 0.00 C ATOM 1073 CZ PHE D 69 4.815 1.836 10.579 1.00 0.00 C ATOM 0 H PHE D 69 9.569 6.741 10.007 1.00 0.00 H new ATOM 0 HA PHE D 69 8.248 4.822 8.202 1.00 0.00 H new ATOM 0 HB2 PHE D 69 9.240 3.441 9.939 1.00 0.00 H new ATOM 0 HB3 PHE D 69 8.682 4.526 11.197 1.00 0.00 H new ATOM 0 HD1 PHE D 69 7.672 1.935 8.796 1.00 0.00 H new ATOM 0 HD2 PHE D 69 6.361 4.506 11.930 1.00 0.00 H new ATOM 0 HE1 PHE D 69 5.599 0.630 8.998 1.00 0.00 H new ATOM 0 HE2 PHE D 69 4.289 3.203 12.134 1.00 0.00 H new ATOM 0 HZ PHE D 69 3.904 1.263 10.668 1.00 0.00 H new ATOM 1083 N LEU D 70 6.484 6.592 8.409 1.00 0.00 N ATOM 1084 CA LEU D 70 5.289 7.415 8.532 1.00 0.00 C ATOM 1085 C LEU D 70 4.038 6.598 8.229 1.00 0.00 C ATOM 1086 O LEU D 70 3.637 6.465 7.073 1.00 0.00 O ATOM 1087 CB LEU D 70 5.375 8.620 7.593 1.00 0.00 C ATOM 1088 CG LEU D 70 5.824 9.924 8.255 1.00 0.00 C ATOM 1089 CD1 LEU D 70 7.311 10.153 8.028 1.00 0.00 C ATOM 1090 CD2 LEU D 70 5.015 11.098 7.724 1.00 0.00 C ATOM 0 H LEU D 70 6.793 6.438 7.449 1.00 0.00 H new ATOM 0 HA LEU D 70 5.225 7.774 9.559 1.00 0.00 H new ATOM 0 HB2 LEU D 70 6.067 8.383 6.785 1.00 0.00 H new ATOM 0 HB3 LEU D 70 4.397 8.778 7.139 1.00 0.00 H new ATOM 0 HG LEU D 70 5.649 9.844 9.328 1.00 0.00 H new ATOM 0 HD11 LEU D 70 7.613 11.085 8.506 1.00 0.00 H new ATOM 0 HD12 LEU D 70 7.876 9.326 8.457 1.00 0.00 H new ATOM 0 HD13 LEU D 70 7.511 10.213 6.958 1.00 0.00 H new ATOM 0 HD21 LEU D 70 5.348 12.017 8.206 1.00 0.00 H new ATOM 0 HD22 LEU D 70 5.158 11.181 6.647 1.00 0.00 H new ATOM 0 HD23 LEU D 70 3.958 10.938 7.938 1.00 0.00 H new ATOM 1102 N ASN D 71 3.427 6.050 9.274 1.00 0.00 N ATOM 1103 CA ASN D 71 2.223 5.243 9.119 1.00 0.00 C ATOM 1104 C ASN D 71 0.973 6.056 9.439 1.00 0.00 C ATOM 1105 O ASN D 71 0.684 6.335 10.603 1.00 0.00 O ATOM 1106 CB ASN D 71 2.288 4.014 10.024 1.00 0.00 C ATOM 1107 CG ASN D 71 1.086 3.105 9.857 1.00 0.00 C ATOM 1108 OD1 ASN D 71 0.445 2.716 10.833 1.00 0.00 O ATOM 1109 ND2 ASN D 71 0.774 2.761 8.613 1.00 0.00 N ATOM 0 H ASN D 71 3.746 6.150 10.238 1.00 0.00 H new ATOM 0 HA ASN D 71 2.167 4.920 8.079 1.00 0.00 H new ATOM 0 HB2 ASN D 71 3.197 3.453 9.805 1.00 0.00 H new ATOM 0 HB3 ASN D 71 2.355 4.335 11.063 1.00 0.00 H new ATOM 0 HD21 ASN D 71 -0.025 2.151 8.438 1.00 0.00 H new ATOM 0 HD22 ASN D 71 1.333 3.107 7.833 1.00 0.00 H new ATOM 1116 N CYS D 72 0.233 6.429 8.400 1.00 0.00 N ATOM 1117 CA CYS D 72 -0.989 7.206 8.575 1.00 0.00 C ATOM 1118 C CYS D 72 -2.156 6.294 8.940 1.00 0.00 C ATOM 1119 O CYS D 72 -3.077 6.096 8.148 1.00 0.00 O ATOM 1120 CB CYS D 72 -1.310 7.988 7.301 1.00 0.00 C ATOM 1121 SG CYS D 72 -2.431 9.386 7.552 1.00 0.00 S ATOM 0 H CYS D 72 0.457 6.207 7.430 1.00 0.00 H new ATOM 0 HA CYS D 72 -0.832 7.913 9.390 1.00 0.00 H new ATOM 0 HB2 CYS D 72 -0.379 8.356 6.870 1.00 0.00 H new ATOM 0 HB3 CYS D 72 -1.752 7.308 6.572 1.00 0.00 H new ATOM 0 HG CYS D 72 -2.639 9.984 6.417 1.00 0.00 H new ATOM 1127 N TYR D 73 -2.100 5.734 10.144 1.00 0.00 N ATOM 1128 CA TYR D 73 -3.145 4.831 10.620 1.00 0.00 C ATOM 1129 C TYR D 73 -4.422 5.588 10.980 1.00 0.00 C ATOM 1130 O TYR D 73 -4.697 5.835 12.154 1.00 0.00 O ATOM 1131 CB TYR D 73 -2.662 4.024 11.835 1.00 0.00 C ATOM 1132 CG TYR D 73 -1.723 4.773 12.760 1.00 0.00 C ATOM 1133 CD1 TYR D 73 -1.932 6.112 13.071 1.00 0.00 C ATOM 1134 CD2 TYR D 73 -0.625 4.135 13.325 1.00 0.00 C ATOM 1135 CE1 TYR D 73 -1.074 6.792 13.915 1.00 0.00 C ATOM 1136 CE2 TYR D 73 0.236 4.808 14.172 1.00 0.00 C ATOM 1137 CZ TYR D 73 0.007 6.135 14.463 1.00 0.00 C ATOM 1138 OH TYR D 73 0.865 6.809 15.305 1.00 0.00 O ATOM 0 H TYR D 73 -1.342 5.889 10.809 1.00 0.00 H new ATOM 0 HA TYR D 73 -3.371 4.145 9.803 1.00 0.00 H new ATOM 0 HB2 TYR D 73 -3.531 3.699 12.407 1.00 0.00 H new ATOM 0 HB3 TYR D 73 -2.159 3.124 11.480 1.00 0.00 H new ATOM 0 HD1 TYR D 73 -2.779 6.630 12.646 1.00 0.00 H new ATOM 0 HD2 TYR D 73 -0.441 3.095 13.098 1.00 0.00 H new ATOM 0 HE1 TYR D 73 -1.250 7.833 14.144 1.00 0.00 H new ATOM 0 HE2 TYR D 73 1.084 4.296 14.603 1.00 0.00 H new ATOM 0 HH TYR D 73 1.573 6.202 15.605 1.00 0.00 H new ATOM 1148 N VAL D 74 -5.207 5.943 9.967 1.00 0.00 N ATOM 1149 CA VAL D 74 -6.459 6.661 10.192 1.00 0.00 C ATOM 1150 C VAL D 74 -7.641 5.891 9.611 1.00 0.00 C ATOM 1151 O VAL D 74 -8.078 6.153 8.489 1.00 0.00 O ATOM 1152 CB VAL D 74 -6.429 8.077 9.585 1.00 0.00 C ATOM 1153 CG1 VAL D 74 -5.884 9.078 10.591 1.00 0.00 C ATOM 1154 CG2 VAL D 74 -5.607 8.097 8.305 1.00 0.00 C ATOM 0 H VAL D 74 -5.001 5.747 8.987 1.00 0.00 H new ATOM 0 HA VAL D 74 -6.577 6.751 11.272 1.00 0.00 H new ATOM 0 HB VAL D 74 -7.451 8.364 9.336 1.00 0.00 H new ATOM 0 HG11 VAL D 74 -5.870 10.072 10.144 1.00 0.00 H new ATOM 0 HG12 VAL D 74 -6.520 9.087 11.476 1.00 0.00 H new ATOM 0 HG13 VAL D 74 -4.871 8.794 10.875 1.00 0.00 H new ATOM 0 HG21 VAL D 74 -5.599 9.106 7.893 1.00 0.00 H new ATOM 0 HG22 VAL D 74 -4.585 7.786 8.524 1.00 0.00 H new ATOM 0 HG23 VAL D 74 -6.047 7.413 7.579 1.00 0.00 H new ATOM 1164 N SER D 75 -8.152 4.937 10.384 1.00 0.00 N ATOM 1165 CA SER D 75 -9.281 4.121 9.951 1.00 0.00 C ATOM 1166 C SER D 75 -9.650 3.098 11.024 1.00 0.00 C ATOM 1167 O SER D 75 -10.712 3.183 11.638 1.00 0.00 O ATOM 1168 CB SER D 75 -8.944 3.411 8.633 1.00 0.00 C ATOM 1169 OG SER D 75 -9.253 2.028 8.693 1.00 0.00 O ATOM 0 H SER D 75 -7.801 4.710 11.315 1.00 0.00 H new ATOM 0 HA SER D 75 -10.139 4.774 9.791 1.00 0.00 H new ATOM 0 HB2 SER D 75 -9.499 3.874 7.817 1.00 0.00 H new ATOM 0 HB3 SER D 75 -7.885 3.539 8.410 1.00 0.00 H new ATOM 0 HG SER D 75 -8.731 1.547 8.018 1.00 0.00 H new ATOM 1175 N GLY D 76 -8.762 2.133 11.240 1.00 0.00 N ATOM 1176 CA GLY D 76 -9.006 1.104 12.234 1.00 0.00 C ATOM 1177 C GLY D 76 -7.928 0.040 12.237 1.00 0.00 C ATOM 1178 O GLY D 76 -7.343 -0.262 13.278 1.00 0.00 O ATOM 0 H GLY D 76 -7.876 2.045 10.743 1.00 0.00 H new ATOM 0 HA2 GLY D 76 -9.064 1.562 13.221 1.00 0.00 H new ATOM 0 HA3 GLY D 76 -9.973 0.638 12.042 1.00 0.00 H new ATOM 1182 N PHE D 77 -7.659 -0.525 11.064 1.00 0.00 N ATOM 1183 CA PHE D 77 -6.639 -1.558 10.927 1.00 0.00 C ATOM 1184 C PHE D 77 -7.006 -2.810 11.720 1.00 0.00 C ATOM 1185 O PHE D 77 -6.719 -2.911 12.912 1.00 0.00 O ATOM 1186 CB PHE D 77 -5.278 -1.023 11.386 1.00 0.00 C ATOM 1187 CG PHE D 77 -4.131 -1.410 10.490 1.00 0.00 C ATOM 1188 CD1 PHE D 77 -4.287 -1.463 9.112 1.00 0.00 C ATOM 1189 CD2 PHE D 77 -2.893 -1.718 11.030 1.00 0.00 C ATOM 1190 CE1 PHE D 77 -3.230 -1.816 8.293 1.00 0.00 C ATOM 1191 CE2 PHE D 77 -1.833 -2.071 10.216 1.00 0.00 C ATOM 1192 CZ PHE D 77 -2.002 -2.120 8.846 1.00 0.00 C ATOM 0 H PHE D 77 -8.134 -0.284 10.194 1.00 0.00 H new ATOM 0 HA PHE D 77 -6.579 -1.832 9.874 1.00 0.00 H new ATOM 0 HB2 PHE D 77 -5.328 0.064 11.445 1.00 0.00 H new ATOM 0 HB3 PHE D 77 -5.077 -1.388 12.393 1.00 0.00 H new ATOM 0 HD1 PHE D 77 -5.245 -1.226 8.674 1.00 0.00 H new ATOM 0 HD2 PHE D 77 -2.754 -1.682 12.100 1.00 0.00 H new ATOM 0 HE1 PHE D 77 -3.365 -1.854 7.222 1.00 0.00 H new ATOM 0 HE2 PHE D 77 -0.873 -2.308 10.651 1.00 0.00 H new ATOM 0 HZ PHE D 77 -1.175 -2.396 8.208 1.00 0.00 H new ATOM 1202 N HIS D 78 -7.637 -3.763 11.041 1.00 0.00 N ATOM 1203 CA HIS D 78 -8.039 -5.017 11.667 1.00 0.00 C ATOM 1204 C HIS D 78 -8.391 -6.056 10.605 1.00 0.00 C ATOM 1205 O HIS D 78 -7.811 -7.142 10.573 1.00 0.00 O ATOM 1206 CB HIS D 78 -9.224 -4.795 12.613 1.00 0.00 C ATOM 1207 CG HIS D 78 -8.992 -5.336 13.990 1.00 0.00 C ATOM 1208 ND1 HIS D 78 -7.751 -5.356 14.591 1.00 0.00 N ATOM 1209 CD2 HIS D 78 -9.850 -5.882 14.884 1.00 0.00 C ATOM 1210 CE1 HIS D 78 -7.854 -5.893 15.794 1.00 0.00 C ATOM 1211 NE2 HIS D 78 -9.117 -6.219 15.997 1.00 0.00 N ATOM 0 H HIS D 78 -7.882 -3.690 10.053 1.00 0.00 H new ATOM 0 HA HIS D 78 -7.199 -5.391 12.252 1.00 0.00 H new ATOM 0 HB2 HIS D 78 -9.431 -3.727 12.680 1.00 0.00 H new ATOM 0 HB3 HIS D 78 -10.111 -5.266 12.190 1.00 0.00 H new ATOM 0 HD2 HIS D 78 -10.912 -6.026 14.748 1.00 0.00 H new ATOM 0 HE1 HIS D 78 -7.043 -6.040 16.492 1.00 0.00 H new ATOM 0 HE2 HIS D 78 -9.489 -6.651 16.843 1.00 0.00 H new ATOM 1220 N PRO D 79 -9.345 -5.737 9.709 1.00 0.00 N ATOM 1221 CA PRO D 79 -9.767 -6.629 8.645 1.00 0.00 C ATOM 1222 C PRO D 79 -9.052 -6.316 7.334 1.00 0.00 C ATOM 1223 O PRO D 79 -8.042 -5.613 7.324 1.00 0.00 O ATOM 1224 CB PRO D 79 -11.257 -6.313 8.538 1.00 0.00 C ATOM 1225 CG PRO D 79 -11.393 -4.880 8.973 1.00 0.00 C ATOM 1226 CD PRO D 79 -10.097 -4.479 9.645 1.00 0.00 C ATOM 0 HA PRO D 79 -9.546 -7.677 8.845 1.00 0.00 H new ATOM 0 HB2 PRO D 79 -11.615 -6.450 7.518 1.00 0.00 H new ATOM 0 HB3 PRO D 79 -11.846 -6.974 9.174 1.00 0.00 H new ATOM 0 HG2 PRO D 79 -11.594 -4.237 8.116 1.00 0.00 H new ATOM 0 HG3 PRO D 79 -12.231 -4.767 9.660 1.00 0.00 H new ATOM 0 HD2 PRO D 79 -9.564 -3.721 9.071 1.00 0.00 H new ATOM 0 HD3 PRO D 79 -10.271 -4.063 10.638 1.00 0.00 H new ATOM 1234 N SER D 80 -9.578 -6.834 6.227 1.00 0.00 N ATOM 1235 CA SER D 80 -8.976 -6.594 4.919 1.00 0.00 C ATOM 1236 C SER D 80 -7.511 -7.027 4.916 1.00 0.00 C ATOM 1237 O SER D 80 -6.976 -7.433 5.947 1.00 0.00 O ATOM 1238 CB SER D 80 -9.095 -5.109 4.556 1.00 0.00 C ATOM 1239 OG SER D 80 -8.026 -4.688 3.725 1.00 0.00 O ATOM 0 H SER D 80 -10.414 -7.418 6.209 1.00 0.00 H new ATOM 0 HA SER D 80 -9.508 -7.185 4.173 1.00 0.00 H new ATOM 0 HB2 SER D 80 -10.043 -4.933 4.048 1.00 0.00 H new ATOM 0 HB3 SER D 80 -9.106 -4.511 5.467 1.00 0.00 H new ATOM 0 HG SER D 80 -8.315 -4.702 2.789 1.00 0.00 H new ATOM 1245 N ASP D 81 -6.864 -6.937 3.759 1.00 0.00 N ATOM 1246 CA ASP D 81 -5.461 -7.321 3.649 1.00 0.00 C ATOM 1247 C ASP D 81 -4.544 -6.168 4.044 1.00 0.00 C ATOM 1248 O ASP D 81 -4.362 -5.217 3.281 1.00 0.00 O ATOM 1249 CB ASP D 81 -5.135 -7.799 2.234 1.00 0.00 C ATOM 1250 CG ASP D 81 -4.209 -9.001 2.233 1.00 0.00 C ATOM 1251 OD1 ASP D 81 -4.308 -9.828 3.166 1.00 0.00 O ATOM 1252 OD2 ASP D 81 -3.386 -9.116 1.302 1.00 0.00 O ATOM 0 H ASP D 81 -7.284 -6.605 2.891 1.00 0.00 H new ATOM 0 HA ASP D 81 -5.289 -8.146 4.340 1.00 0.00 H new ATOM 0 HB2 ASP D 81 -6.060 -8.055 1.717 1.00 0.00 H new ATOM 0 HB3 ASP D 81 -4.672 -6.986 1.675 1.00 0.00 H new ATOM 1257 N ILE D 82 -3.980 -6.283 5.251 1.00 0.00 N ATOM 1258 CA ILE D 82 -3.065 -5.293 5.838 1.00 0.00 C ATOM 1259 C ILE D 82 -2.748 -4.109 4.918 1.00 0.00 C ATOM 1260 O ILE D 82 -3.137 -2.981 5.215 1.00 0.00 O ATOM 1261 CB ILE D 82 -1.742 -5.962 6.268 1.00 0.00 C ATOM 1262 CG1 ILE D 82 -2.019 -7.094 7.258 1.00 0.00 C ATOM 1263 CG2 ILE D 82 -0.794 -4.939 6.879 1.00 0.00 C ATOM 1264 CD1 ILE D 82 -2.651 -6.627 8.550 1.00 0.00 C ATOM 0 H ILE D 82 -4.149 -7.083 5.861 1.00 0.00 H new ATOM 0 HA ILE D 82 -3.594 -4.892 6.702 1.00 0.00 H new ATOM 0 HB ILE D 82 -1.264 -6.382 5.383 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -2.675 -7.826 6.786 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -1.083 -7.604 7.485 1.00 0.00 H new ATOM 0 HG21 ILE D 82 0.132 -5.432 7.175 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -0.574 -4.163 6.145 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -1.261 -4.488 7.755 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -2.819 -7.483 9.203 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -1.987 -5.918 9.044 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -3.604 -6.143 8.335 1.00 0.00 H new ATOM 1276 N GLU D 83 -2.027 -4.377 3.822 1.00 0.00 N ATOM 1277 CA GLU D 83 -1.627 -3.344 2.851 1.00 0.00 C ATOM 1278 C GLU D 83 -0.193 -2.880 3.107 1.00 0.00 C ATOM 1279 O GLU D 83 0.510 -2.471 2.182 1.00 0.00 O ATOM 1280 CB GLU D 83 -2.588 -2.137 2.860 1.00 0.00 C ATOM 1281 CG GLU D 83 -2.173 -1.001 3.790 1.00 0.00 C ATOM 1282 CD GLU D 83 -1.499 0.140 3.052 1.00 0.00 C ATOM 1283 OE1 GLU D 83 -0.459 -0.105 2.404 1.00 0.00 O ATOM 1284 OE2 GLU D 83 -2.011 1.277 3.119 1.00 0.00 O ATOM 0 H GLU D 83 -1.704 -5.314 3.581 1.00 0.00 H new ATOM 0 HA GLU D 83 -1.679 -3.801 1.863 1.00 0.00 H new ATOM 0 HB2 GLU D 83 -2.670 -1.747 1.845 1.00 0.00 H new ATOM 0 HB3 GLU D 83 -3.581 -2.482 3.150 1.00 0.00 H new ATOM 0 HG2 GLU D 83 -3.053 -0.623 4.311 1.00 0.00 H new ATOM 0 HG3 GLU D 83 -1.495 -1.388 4.550 1.00 0.00 H new ATOM 1291 N VAL D 84 0.231 -2.935 4.366 1.00 0.00 N ATOM 1292 CA VAL D 84 1.578 -2.510 4.741 1.00 0.00 C ATOM 1293 C VAL D 84 2.439 -3.689 5.191 1.00 0.00 C ATOM 1294 O VAL D 84 2.130 -4.356 6.178 1.00 0.00 O ATOM 1295 CB VAL D 84 1.538 -1.461 5.869 1.00 0.00 C ATOM 1296 CG1 VAL D 84 2.944 -1.007 6.235 1.00 0.00 C ATOM 1297 CG2 VAL D 84 0.675 -0.275 5.465 1.00 0.00 C ATOM 0 H VAL D 84 -0.337 -3.269 5.144 1.00 0.00 H new ATOM 0 HA VAL D 84 2.023 -2.068 3.849 1.00 0.00 H new ATOM 0 HB VAL D 84 1.093 -1.923 6.750 1.00 0.00 H new ATOM 0 HG11 VAL D 84 2.891 -0.267 7.033 1.00 0.00 H new ATOM 0 HG12 VAL D 84 3.527 -1.864 6.573 1.00 0.00 H new ATOM 0 HG13 VAL D 84 3.423 -0.565 5.361 1.00 0.00 H new ATOM 0 HG21 VAL D 84 0.659 0.455 6.274 1.00 0.00 H new ATOM 0 HG22 VAL D 84 1.088 0.186 4.568 1.00 0.00 H new ATOM 0 HG23 VAL D 84 -0.340 -0.616 5.263 1.00 0.00 H new ATOM 1307 N ASP D 85 3.526 -3.929 4.469 1.00 0.00 N ATOM 1308 CA ASP D 85 4.439 -5.017 4.798 1.00 0.00 C ATOM 1309 C ASP D 85 5.848 -4.702 4.303 1.00 0.00 C ATOM 1310 O ASP D 85 6.058 -4.455 3.119 1.00 0.00 O ATOM 1311 CB ASP D 85 3.948 -6.330 4.184 1.00 0.00 C ATOM 1312 CG ASP D 85 3.165 -7.173 5.173 1.00 0.00 C ATOM 1313 OD1 ASP D 85 3.566 -7.227 6.355 1.00 0.00 O ATOM 1314 OD2 ASP D 85 2.151 -7.777 4.764 1.00 0.00 O ATOM 0 H ASP D 85 3.798 -3.384 3.651 1.00 0.00 H new ATOM 0 HA ASP D 85 4.466 -5.125 5.882 1.00 0.00 H new ATOM 0 HB2 ASP D 85 3.321 -6.112 3.320 1.00 0.00 H new ATOM 0 HB3 ASP D 85 4.803 -6.901 3.821 1.00 0.00 H new ATOM 1319 N LEU D 86 6.813 -4.711 5.214 1.00 0.00 N ATOM 1320 CA LEU D 86 8.198 -4.424 4.852 1.00 0.00 C ATOM 1321 C LEU D 86 9.150 -5.431 5.488 1.00 0.00 C ATOM 1322 O LEU D 86 8.732 -6.293 6.261 1.00 0.00 O ATOM 1323 CB LEU D 86 8.597 -2.992 5.251 1.00 0.00 C ATOM 1324 CG LEU D 86 7.763 -2.332 6.359 1.00 0.00 C ATOM 1325 CD1 LEU D 86 6.414 -1.871 5.824 1.00 0.00 C ATOM 1326 CD2 LEU D 86 7.586 -3.275 7.541 1.00 0.00 C ATOM 0 H LEU D 86 6.665 -4.912 6.203 1.00 0.00 H new ATOM 0 HA LEU D 86 8.274 -4.510 3.768 1.00 0.00 H new ATOM 0 HB2 LEU D 86 9.639 -3.005 5.570 1.00 0.00 H new ATOM 0 HB3 LEU D 86 8.543 -2.363 4.363 1.00 0.00 H new ATOM 0 HG LEU D 86 8.304 -1.453 6.708 1.00 0.00 H new ATOM 0 HD11 LEU D 86 5.843 -1.407 6.628 1.00 0.00 H new ATOM 0 HD12 LEU D 86 6.568 -1.147 5.024 1.00 0.00 H new ATOM 0 HD13 LEU D 86 5.864 -2.729 5.436 1.00 0.00 H new ATOM 0 HD21 LEU D 86 6.992 -2.784 8.312 1.00 0.00 H new ATOM 0 HD22 LEU D 86 7.076 -4.180 7.211 1.00 0.00 H new ATOM 0 HD23 LEU D 86 8.563 -3.537 7.947 1.00 0.00 H new ATOM 1338 N LEU D 87 10.434 -5.318 5.145 1.00 0.00 N ATOM 1339 CA LEU D 87 11.466 -6.217 5.666 1.00 0.00 C ATOM 1340 C LEU D 87 11.237 -6.550 7.139 1.00 0.00 C ATOM 1341 O LEU D 87 11.440 -5.711 8.017 1.00 0.00 O ATOM 1342 CB LEU D 87 12.849 -5.586 5.492 1.00 0.00 C ATOM 1343 CG LEU D 87 13.028 -4.223 6.165 1.00 0.00 C ATOM 1344 CD1 LEU D 87 13.789 -4.369 7.473 1.00 0.00 C ATOM 1345 CD2 LEU D 87 13.747 -3.256 5.235 1.00 0.00 C ATOM 0 H LEU D 87 10.786 -4.607 4.504 1.00 0.00 H new ATOM 0 HA LEU D 87 11.409 -7.145 5.098 1.00 0.00 H new ATOM 0 HB2 LEU D 87 13.597 -6.272 5.890 1.00 0.00 H new ATOM 0 HB3 LEU D 87 13.051 -5.477 4.426 1.00 0.00 H new ATOM 0 HG LEU D 87 12.040 -3.818 6.385 1.00 0.00 H new ATOM 0 HD11 LEU D 87 13.907 -3.390 7.937 1.00 0.00 H new ATOM 0 HD12 LEU D 87 13.235 -5.025 8.145 1.00 0.00 H new ATOM 0 HD13 LEU D 87 14.772 -4.798 7.276 1.00 0.00 H new ATOM 0 HD21 LEU D 87 13.865 -2.293 5.732 1.00 0.00 H new ATOM 0 HD22 LEU D 87 14.729 -3.656 4.982 1.00 0.00 H new ATOM 0 HD23 LEU D 87 13.163 -3.125 4.324 1.00 0.00 H new