USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot 92:sc= 0.563! USER MOD Set 1.2: A 26 SER OG : rot 160:sc= -1.65 USER MOD Set 2.1: A 1 GLY N :NH3+ -134:sc= -0.107 (180deg=-2.23!) USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0.0057 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 0.879 (180deg=0.791) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 141:sc= 0.313 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 36:sc= 0.715 USER MOD Single : A 40 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.0372 K(o=-0.037,f=-1.8!) USER MOD Single : A 46 THR OG1 : rot 78:sc= -0.844 USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.158) USER MOD Single : A 52 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.012) USER MOD Single : A 53 ASN : amide:sc= -0.0694 K(o=-0.069,f=1) USER MOD Single : A 66 CYS SG : rot -73:sc= -5.05! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0742 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0724 X(o=-0.072,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 44:sc= 0.903 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 49:sc= 0.00103 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.046 1.724 9.765 1.00 0.00 N ATOM 2 CA GLY A 1 -22.077 2.759 9.447 1.00 0.00 C ATOM 3 C GLY A 1 -22.347 3.357 8.065 1.00 0.00 C ATOM 4 O GLY A 1 -21.799 2.895 7.066 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.396 1.862 10.735 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.843 1.778 9.099 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.594 0.790 9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.118 3.545 10.201 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.071 2.341 9.476 1.00 0.00 H new ATOM 8 N SER A 2 -23.194 4.377 8.052 1.00 0.00 N ATOM 9 CA SER A 2 -23.544 5.043 6.809 1.00 0.00 C ATOM 10 C SER A 2 -24.207 4.050 5.852 1.00 0.00 C ATOM 11 O SER A 2 -23.616 3.029 5.504 1.00 0.00 O ATOM 12 CB SER A 2 -22.311 5.669 6.154 1.00 0.00 C ATOM 13 OG SER A 2 -21.537 6.422 7.083 1.00 0.00 O ATOM 0 H SER A 2 -23.648 4.758 8.882 1.00 0.00 H new ATOM 0 HA SER A 2 -24.248 5.844 7.036 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.693 4.883 5.720 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.625 6.316 5.335 1.00 0.00 H new ATOM 0 HG SER A 2 -20.758 6.804 6.626 1.00 0.00 H new ATOM 19 N SER A 3 -25.426 4.385 5.454 1.00 0.00 N ATOM 20 CA SER A 3 -26.175 3.536 4.544 1.00 0.00 C ATOM 21 C SER A 3 -25.987 2.066 4.925 1.00 0.00 C ATOM 22 O SER A 3 -25.100 1.395 4.402 1.00 0.00 O ATOM 23 CB SER A 3 -25.746 3.768 3.094 1.00 0.00 C ATOM 24 OG SER A 3 -26.598 3.096 2.171 1.00 0.00 O ATOM 0 H SER A 3 -25.913 5.233 5.745 1.00 0.00 H new ATOM 0 HA SER A 3 -27.231 3.794 4.627 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.752 4.837 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.721 3.422 2.959 1.00 0.00 H new ATOM 0 HG SER A 3 -26.292 3.270 1.257 1.00 0.00 H new ATOM 30 N GLY A 4 -26.837 1.610 5.833 1.00 0.00 N ATOM 31 CA GLY A 4 -26.776 0.232 6.290 1.00 0.00 C ATOM 32 C GLY A 4 -25.501 -0.021 7.097 1.00 0.00 C ATOM 33 O GLY A 4 -25.507 0.083 8.323 1.00 0.00 O ATOM 0 H GLY A 4 -27.572 2.170 6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.649 0.009 6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.808 -0.441 5.433 1.00 0.00 H new ATOM 37 N SER A 5 -24.438 -0.349 6.377 1.00 0.00 N ATOM 38 CA SER A 5 -23.159 -0.619 7.011 1.00 0.00 C ATOM 39 C SER A 5 -22.083 -0.840 5.946 1.00 0.00 C ATOM 40 O SER A 5 -21.915 -1.954 5.451 1.00 0.00 O ATOM 41 CB SER A 5 -23.247 -1.834 7.937 1.00 0.00 C ATOM 42 OG SER A 5 -22.892 -1.510 9.278 1.00 0.00 O ATOM 0 H SER A 5 -24.436 -0.434 5.361 1.00 0.00 H new ATOM 0 HA SER A 5 -22.889 0.246 7.617 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.261 -2.232 7.917 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.588 -2.620 7.567 1.00 0.00 H new ATOM 0 HG SER A 5 -22.963 -2.311 9.838 1.00 0.00 H new ATOM 48 N SER A 6 -21.383 0.238 5.625 1.00 0.00 N ATOM 49 CA SER A 6 -20.328 0.175 4.627 1.00 0.00 C ATOM 50 C SER A 6 -18.964 0.072 5.313 1.00 0.00 C ATOM 51 O SER A 6 -18.268 -0.933 5.171 1.00 0.00 O ATOM 52 CB SER A 6 -20.368 1.396 3.706 1.00 0.00 C ATOM 53 OG SER A 6 -20.685 1.041 2.363 1.00 0.00 O ATOM 0 H SER A 6 -21.525 1.160 6.038 1.00 0.00 H new ATOM 0 HA SER A 6 -20.488 -0.713 4.016 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.107 2.106 4.077 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.402 1.900 3.729 1.00 0.00 H new ATOM 0 HG SER A 6 -20.703 1.848 1.807 1.00 0.00 H new ATOM 59 N GLY A 7 -18.623 1.124 6.043 1.00 0.00 N ATOM 60 CA GLY A 7 -17.355 1.164 6.751 1.00 0.00 C ATOM 61 C GLY A 7 -16.239 1.691 5.847 1.00 0.00 C ATOM 62 O GLY A 7 -16.470 1.983 4.675 1.00 0.00 O ATOM 0 H GLY A 7 -19.203 1.955 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.446 1.800 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.100 0.165 7.105 1.00 0.00 H new ATOM 66 N ASP A 8 -15.052 1.797 6.427 1.00 0.00 N ATOM 67 CA ASP A 8 -13.899 2.283 5.688 1.00 0.00 C ATOM 68 C ASP A 8 -13.030 1.096 5.268 1.00 0.00 C ATOM 69 O ASP A 8 -13.133 0.014 5.842 1.00 0.00 O ATOM 70 CB ASP A 8 -13.045 3.213 6.552 1.00 0.00 C ATOM 71 CG ASP A 8 -12.554 2.605 7.867 1.00 0.00 C ATOM 72 OD1 ASP A 8 -13.008 1.483 8.178 1.00 0.00 O ATOM 73 OD2 ASP A 8 -11.736 3.276 8.532 1.00 0.00 O ATOM 0 H ASP A 8 -14.864 1.555 7.400 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.262 2.830 4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.179 3.531 5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.624 4.109 6.777 1.00 0.00 H new ATOM 78 N SER A 9 -12.194 1.340 4.270 1.00 0.00 N ATOM 79 CA SER A 9 -11.308 0.305 3.766 1.00 0.00 C ATOM 80 C SER A 9 -12.121 -0.918 3.338 1.00 0.00 C ATOM 81 O SER A 9 -13.343 -0.934 3.476 1.00 0.00 O ATOM 82 CB SER A 9 -10.269 -0.090 4.818 1.00 0.00 C ATOM 83 OG SER A 9 -9.669 -1.350 4.529 1.00 0.00 O ATOM 0 H SER A 9 -12.111 2.240 3.797 1.00 0.00 H new ATOM 0 HA SER A 9 -10.777 0.701 2.900 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.496 0.676 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.743 -0.131 5.799 1.00 0.00 H new ATOM 0 HG SER A 9 -8.854 -1.211 4.002 1.00 0.00 H new ATOM 89 N LYS A 10 -11.410 -1.913 2.828 1.00 0.00 N ATOM 90 CA LYS A 10 -12.051 -3.137 2.379 1.00 0.00 C ATOM 91 C LYS A 10 -10.998 -4.239 2.244 1.00 0.00 C ATOM 92 O LYS A 10 -9.811 -3.953 2.099 1.00 0.00 O ATOM 93 CB LYS A 10 -12.847 -2.886 1.096 1.00 0.00 C ATOM 94 CG LYS A 10 -11.932 -2.399 -0.030 1.00 0.00 C ATOM 95 CD LYS A 10 -12.166 -3.201 -1.312 1.00 0.00 C ATOM 96 CE LYS A 10 -12.059 -2.304 -2.546 1.00 0.00 C ATOM 97 NZ LYS A 10 -12.853 -2.863 -3.663 1.00 0.00 N ATOM 0 H LYS A 10 -10.396 -1.896 2.716 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.778 -3.479 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.349 -3.804 0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.624 -2.145 1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.114 -1.341 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.890 -2.493 0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.436 -4.007 -1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.151 -3.666 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.413 -1.302 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.015 -2.210 -2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.770 -2.242 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.497 -3.810 -3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.851 -2.930 -3.380 1.00 0.00 H new ATOM 111 N PRO A 11 -11.484 -5.508 2.298 1.00 0.00 N ATOM 112 CA PRO A 11 -10.598 -6.654 2.184 1.00 0.00 C ATOM 113 C PRO A 11 -10.143 -6.853 0.736 1.00 0.00 C ATOM 114 O PRO A 11 -10.935 -7.248 -0.118 1.00 0.00 O ATOM 115 CB PRO A 11 -11.402 -7.827 2.720 1.00 0.00 C ATOM 116 CG PRO A 11 -12.857 -7.389 2.681 1.00 0.00 C ATOM 117 CD PRO A 11 -12.885 -5.884 2.469 1.00 0.00 C ATOM 0 HA PRO A 11 -9.674 -6.530 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.246 -8.718 2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.097 -8.078 3.736 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.387 -7.898 1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.360 -7.653 3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.476 -5.618 1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.331 -5.372 3.322 1.00 0.00 H new ATOM 125 N ILE A 12 -8.869 -6.570 0.506 1.00 0.00 N ATOM 126 CA ILE A 12 -8.299 -6.713 -0.823 1.00 0.00 C ATOM 127 C ILE A 12 -7.424 -7.966 -0.865 1.00 0.00 C ATOM 128 O ILE A 12 -7.100 -8.538 0.175 1.00 0.00 O ATOM 129 CB ILE A 12 -7.564 -5.434 -1.230 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.378 -5.164 -0.302 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.525 -4.245 -1.294 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.481 -4.060 -0.865 1.00 0.00 C ATOM 0 H ILE A 12 -8.216 -6.242 1.217 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.087 -6.850 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.162 -5.576 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.742 -4.874 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.798 -6.078 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.977 -3.349 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.306 -4.447 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.978 -4.090 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.646 -3.888 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.099 -4.363 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.058 -3.141 -0.971 1.00 0.00 H new ATOM 144 N LYS A 13 -7.064 -8.357 -2.079 1.00 0.00 N ATOM 145 CA LYS A 13 -6.232 -9.533 -2.271 1.00 0.00 C ATOM 146 C LYS A 13 -4.909 -9.116 -2.916 1.00 0.00 C ATOM 147 O LYS A 13 -4.899 -8.388 -3.907 1.00 0.00 O ATOM 148 CB LYS A 13 -6.990 -10.603 -3.059 1.00 0.00 C ATOM 149 CG LYS A 13 -7.453 -11.736 -2.140 1.00 0.00 C ATOM 150 CD LYS A 13 -6.437 -12.880 -2.126 1.00 0.00 C ATOM 151 CE LYS A 13 -7.115 -14.210 -1.789 1.00 0.00 C ATOM 152 NZ LYS A 13 -6.429 -14.868 -0.654 1.00 0.00 N ATOM 0 H LYS A 13 -7.333 -7.880 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.990 -9.989 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.852 -10.154 -3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.348 -11.005 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.591 -11.355 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.421 -12.109 -2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.951 -12.952 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.657 -12.670 -1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.162 -14.038 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.099 -14.864 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.776 -15.844 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.404 -14.881 -0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.624 -14.342 0.222 1.00 0.00 H new ATOM 166 N VAL A 14 -3.823 -9.595 -2.327 1.00 0.00 N ATOM 167 CA VAL A 14 -2.497 -9.282 -2.832 1.00 0.00 C ATOM 168 C VAL A 14 -1.736 -10.582 -3.098 1.00 0.00 C ATOM 169 O VAL A 14 -1.563 -11.400 -2.195 1.00 0.00 O ATOM 170 CB VAL A 14 -1.772 -8.353 -1.856 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.279 -8.272 -2.183 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.408 -6.962 -1.846 1.00 0.00 C ATOM 0 H VAL A 14 -3.834 -10.198 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.566 -8.747 -3.779 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.874 -8.774 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.213 -7.605 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.163 -9.266 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.148 -7.887 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.873 -6.322 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.353 -6.530 -2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.452 -7.041 -1.542 1.00 0.00 H new ATOM 182 N THR A 15 -1.302 -10.733 -4.340 1.00 0.00 N ATOM 183 CA THR A 15 -0.564 -11.920 -4.736 1.00 0.00 C ATOM 184 C THR A 15 0.942 -11.669 -4.639 1.00 0.00 C ATOM 185 O THR A 15 1.443 -10.669 -5.152 1.00 0.00 O ATOM 186 CB THR A 15 -1.024 -12.316 -6.140 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.345 -12.814 -5.945 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.251 -13.516 -6.693 1.00 0.00 C ATOM 0 H THR A 15 -1.447 -10.053 -5.086 1.00 0.00 H new ATOM 0 HA THR A 15 -0.767 -12.754 -4.064 1.00 0.00 H new ATOM 0 HB THR A 15 -0.906 -11.467 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.720 -13.092 -6.806 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.617 -13.756 -7.692 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.810 -13.273 -6.744 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.396 -14.375 -6.038 1.00 0.00 H new ATOM 196 N LEU A 16 1.623 -12.593 -3.977 1.00 0.00 N ATOM 197 CA LEU A 16 3.061 -12.484 -3.805 1.00 0.00 C ATOM 198 C LEU A 16 3.744 -12.613 -5.168 1.00 0.00 C ATOM 199 O LEU A 16 3.150 -13.121 -6.118 1.00 0.00 O ATOM 200 CB LEU A 16 3.556 -13.498 -2.771 1.00 0.00 C ATOM 201 CG LEU A 16 3.051 -13.297 -1.341 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.429 -14.486 -0.454 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.548 -11.971 -0.764 1.00 0.00 C ATOM 0 H LEU A 16 1.205 -13.421 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 16 3.324 -11.504 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.265 -14.495 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.646 -13.471 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 16 1.962 -13.248 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.058 -14.318 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.985 -15.396 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.514 -14.592 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.174 -11.854 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.638 -11.965 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.187 -11.148 -1.380 1.00 0.00 H new ATOM 215 N PRO A 17 5.015 -12.133 -5.222 1.00 0.00 N ATOM 216 CA PRO A 17 5.785 -12.190 -6.453 1.00 0.00 C ATOM 217 C PRO A 17 6.275 -13.613 -6.729 1.00 0.00 C ATOM 218 O PRO A 17 6.973 -13.854 -7.712 1.00 0.00 O ATOM 219 CB PRO A 17 6.921 -11.200 -6.253 1.00 0.00 C ATOM 220 CG PRO A 17 7.015 -10.971 -4.753 1.00 0.00 C ATOM 221 CD PRO A 17 5.751 -11.526 -4.117 1.00 0.00 C ATOM 0 HA PRO A 17 5.194 -11.927 -7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.857 -11.595 -6.647 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.722 -10.266 -6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.896 -11.466 -4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.117 -9.908 -4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.985 -12.261 -3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.169 -10.738 -3.639 1.00 0.00 H new ATOM 229 N ASP A 18 5.888 -14.520 -5.843 1.00 0.00 N ATOM 230 CA ASP A 18 6.278 -15.912 -5.978 1.00 0.00 C ATOM 231 C ASP A 18 5.091 -16.721 -6.505 1.00 0.00 C ATOM 232 O ASP A 18 5.253 -17.867 -6.922 1.00 0.00 O ATOM 233 CB ASP A 18 6.691 -16.503 -4.628 1.00 0.00 C ATOM 234 CG ASP A 18 7.096 -17.978 -4.664 1.00 0.00 C ATOM 235 OD1 ASP A 18 7.866 -18.332 -5.582 1.00 0.00 O ATOM 236 OD2 ASP A 18 6.626 -18.717 -3.772 1.00 0.00 O ATOM 0 H ASP A 18 5.308 -14.317 -5.029 1.00 0.00 H new ATOM 0 HA ASP A 18 7.122 -15.960 -6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.525 -15.922 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.863 -16.386 -3.929 1.00 0.00 H new ATOM 241 N GLY A 19 3.925 -16.093 -6.469 1.00 0.00 N ATOM 242 CA GLY A 19 2.712 -16.740 -6.937 1.00 0.00 C ATOM 243 C GLY A 19 1.696 -16.888 -5.803 1.00 0.00 C ATOM 244 O GLY A 19 0.489 -16.840 -6.035 1.00 0.00 O ATOM 0 H GLY A 19 3.795 -15.142 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.275 -16.157 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.953 -17.722 -7.344 1.00 0.00 H new ATOM 248 N LYS A 20 2.222 -17.064 -4.600 1.00 0.00 N ATOM 249 CA LYS A 20 1.376 -17.218 -3.428 1.00 0.00 C ATOM 250 C LYS A 20 0.421 -16.027 -3.334 1.00 0.00 C ATOM 251 O LYS A 20 0.664 -14.982 -3.936 1.00 0.00 O ATOM 252 CB LYS A 20 2.228 -17.424 -2.175 1.00 0.00 C ATOM 253 CG LYS A 20 1.957 -18.792 -1.546 1.00 0.00 C ATOM 254 CD LYS A 20 0.870 -18.697 -0.474 1.00 0.00 C ATOM 255 CE LYS A 20 1.241 -19.523 0.760 1.00 0.00 C ATOM 256 NZ LYS A 20 0.805 -20.927 0.594 1.00 0.00 N ATOM 0 H LYS A 20 3.224 -17.103 -4.411 1.00 0.00 H new ATOM 0 HA LYS A 20 0.761 -18.114 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.284 -17.341 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.013 -16.638 -1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.650 -19.497 -2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.875 -19.182 -1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.726 -17.655 -0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.078 -19.050 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.319 -19.487 0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.774 -19.093 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.064 -21.473 1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.227 -20.957 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.270 -21.339 -0.240 1.00 0.00 H new ATOM 270 N GLN A 21 -0.646 -16.224 -2.573 1.00 0.00 N ATOM 271 CA GLN A 21 -1.639 -15.178 -2.391 1.00 0.00 C ATOM 272 C GLN A 21 -1.783 -14.835 -0.907 1.00 0.00 C ATOM 273 O GLN A 21 -1.568 -15.687 -0.046 1.00 0.00 O ATOM 274 CB GLN A 21 -2.984 -15.590 -2.993 1.00 0.00 C ATOM 275 CG GLN A 21 -2.840 -15.932 -4.477 1.00 0.00 C ATOM 276 CD GLN A 21 -4.185 -16.343 -5.078 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.655 -17.457 -4.910 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.777 -15.386 -5.786 1.00 0.00 N ATOM 0 H GLN A 21 -0.845 -17.092 -2.075 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.300 -14.286 -2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.379 -16.452 -2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.704 -14.781 -2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.445 -15.071 -5.016 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.121 -16.742 -4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.329 -14.475 -5.887 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.679 -15.563 -6.228 1.00 0.00 H new ATOM 287 N VAL A 22 -2.148 -13.587 -0.654 1.00 0.00 N ATOM 288 CA VAL A 22 -2.323 -13.121 0.711 1.00 0.00 C ATOM 289 C VAL A 22 -3.539 -12.194 0.776 1.00 0.00 C ATOM 290 O VAL A 22 -4.022 -11.724 -0.253 1.00 0.00 O ATOM 291 CB VAL A 22 -1.037 -12.456 1.207 1.00 0.00 C ATOM 292 CG1 VAL A 22 -1.060 -12.286 2.727 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.195 -13.247 0.762 1.00 0.00 C ATOM 0 H VAL A 22 -2.327 -12.884 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.517 -13.960 1.379 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.978 -11.464 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.135 -11.811 3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.908 -11.662 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.154 -13.263 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.096 -12.754 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.145 -14.257 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.223 -13.294 -0.327 1.00 0.00 H new ATOM 303 N ASP A 23 -3.998 -11.958 1.997 1.00 0.00 N ATOM 304 CA ASP A 23 -5.148 -11.095 2.210 1.00 0.00 C ATOM 305 C ASP A 23 -4.673 -9.743 2.746 1.00 0.00 C ATOM 306 O ASP A 23 -3.865 -9.688 3.672 1.00 0.00 O ATOM 307 CB ASP A 23 -6.108 -11.700 3.235 1.00 0.00 C ATOM 308 CG ASP A 23 -7.250 -12.528 2.642 1.00 0.00 C ATOM 309 OD1 ASP A 23 -6.938 -13.430 1.835 1.00 0.00 O ATOM 310 OD2 ASP A 23 -8.410 -12.241 3.010 1.00 0.00 O ATOM 0 H ASP A 23 -3.595 -12.349 2.848 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.665 -10.980 1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.537 -12.331 3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.535 -10.893 3.830 1.00 0.00 H new ATOM 315 N ALA A 24 -5.196 -8.686 2.142 1.00 0.00 N ATOM 316 CA ALA A 24 -4.836 -7.338 2.548 1.00 0.00 C ATOM 317 C ALA A 24 -6.100 -6.480 2.631 1.00 0.00 C ATOM 318 O ALA A 24 -7.193 -6.946 2.312 1.00 0.00 O ATOM 319 CB ALA A 24 -3.807 -6.768 1.570 1.00 0.00 C ATOM 0 H ALA A 24 -5.866 -8.736 1.375 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.377 -7.345 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.537 -5.757 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.917 -7.397 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.233 -6.743 0.567 1.00 0.00 H new ATOM 325 N GLU A 25 -5.909 -5.242 3.061 1.00 0.00 N ATOM 326 CA GLU A 25 -7.020 -4.314 3.189 1.00 0.00 C ATOM 327 C GLU A 25 -6.638 -2.946 2.621 1.00 0.00 C ATOM 328 O GLU A 25 -5.556 -2.434 2.901 1.00 0.00 O ATOM 329 CB GLU A 25 -7.470 -4.197 4.647 1.00 0.00 C ATOM 330 CG GLU A 25 -8.329 -5.395 5.054 1.00 0.00 C ATOM 331 CD GLU A 25 -7.730 -6.113 6.265 1.00 0.00 C ATOM 332 OE1 GLU A 25 -6.485 -6.225 6.300 1.00 0.00 O ATOM 333 OE2 GLU A 25 -8.529 -6.534 7.129 1.00 0.00 O ATOM 0 H GLU A 25 -5.001 -4.859 3.325 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.860 -4.702 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.597 -4.134 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.036 -3.276 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.339 -5.060 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.410 -6.090 4.218 1.00 0.00 H new ATOM 340 N SER A 26 -7.549 -2.393 1.833 1.00 0.00 N ATOM 341 CA SER A 26 -7.321 -1.094 1.223 1.00 0.00 C ATOM 342 C SER A 26 -7.091 -0.040 2.308 1.00 0.00 C ATOM 343 O SER A 26 -7.844 0.033 3.278 1.00 0.00 O ATOM 344 CB SER A 26 -8.497 -0.691 0.331 1.00 0.00 C ATOM 345 OG SER A 26 -9.742 -0.774 1.019 1.00 0.00 O ATOM 0 H SER A 26 -8.446 -2.821 1.603 1.00 0.00 H new ATOM 0 HA SER A 26 -6.432 -1.161 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.348 0.328 -0.027 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.524 -1.337 -0.547 1.00 0.00 H new ATOM 0 HG SER A 26 -10.409 -0.225 0.556 1.00 0.00 H new ATOM 351 N TRP A 27 -6.048 0.752 2.107 1.00 0.00 N ATOM 352 CA TRP A 27 -5.710 1.799 3.056 1.00 0.00 C ATOM 353 C TRP A 27 -5.579 1.159 4.440 1.00 0.00 C ATOM 354 O TRP A 27 -5.941 1.768 5.446 1.00 0.00 O ATOM 355 CB TRP A 27 -6.739 2.930 3.015 1.00 0.00 C ATOM 356 CG TRP A 27 -7.196 3.305 1.604 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.302 2.906 0.961 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.508 4.176 0.681 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.378 3.454 -0.303 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.252 4.251 -0.479 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.298 4.877 0.822 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -6.869 5.016 -1.587 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -4.929 5.637 -0.295 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.666 5.723 -1.470 1.00 0.00 C ATOM 0 H TRP A 27 -5.426 0.690 1.301 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.758 2.263 2.796 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.610 2.637 3.602 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.314 3.812 3.494 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.041 2.239 1.380 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.123 3.302 -0.983 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.700 4.833 1.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.469 5.059 -2.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.006 6.196 -0.239 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.313 6.332 -2.289 1.00 0.00 H new ATOM 375 N LYS A 28 -5.060 -0.060 4.446 1.00 0.00 N ATOM 376 CA LYS A 28 -4.877 -0.789 5.690 1.00 0.00 C ATOM 377 C LYS A 28 -3.494 -1.442 5.694 1.00 0.00 C ATOM 378 O LYS A 28 -2.667 -1.148 6.555 1.00 0.00 O ATOM 379 CB LYS A 28 -6.025 -1.777 5.905 1.00 0.00 C ATOM 380 CG LYS A 28 -7.079 -1.196 6.850 1.00 0.00 C ATOM 381 CD LYS A 28 -7.870 -2.309 7.540 1.00 0.00 C ATOM 382 CE LYS A 28 -9.233 -1.800 8.013 1.00 0.00 C ATOM 383 NZ LYS A 28 -9.075 -0.900 9.177 1.00 0.00 N ATOM 0 H LYS A 28 -4.760 -0.561 3.610 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.910 -0.108 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.485 -2.020 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.636 -2.708 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.595 -0.570 7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.760 -0.554 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.008 -3.143 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.304 -2.689 8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.732 -1.270 7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.869 -2.643 8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.010 -0.564 9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.619 -1.417 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.485 -0.086 8.909 1.00 0.00 H new ATOM 397 N THR A 29 -3.285 -2.318 4.721 1.00 0.00 N ATOM 398 CA THR A 29 -2.016 -3.015 4.602 1.00 0.00 C ATOM 399 C THR A 29 -1.180 -2.412 3.471 1.00 0.00 C ATOM 400 O THR A 29 -1.724 -1.824 2.538 1.00 0.00 O ATOM 401 CB THR A 29 -2.311 -4.504 4.412 1.00 0.00 C ATOM 402 OG1 THR A 29 -2.978 -4.882 5.613 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.041 -5.357 4.406 1.00 0.00 C ATOM 0 H THR A 29 -3.973 -2.560 4.008 1.00 0.00 H new ATOM 0 HA THR A 29 -1.415 -2.900 5.504 1.00 0.00 H new ATOM 0 HB THR A 29 -2.850 -4.650 3.476 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.208 -5.834 5.574 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.307 -6.405 4.268 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.392 -5.037 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.518 -5.237 5.355 1.00 0.00 H new ATOM 411 N THR A 30 0.129 -2.579 3.592 1.00 0.00 N ATOM 412 CA THR A 30 1.045 -2.058 2.592 1.00 0.00 C ATOM 413 C THR A 30 1.939 -3.177 2.054 1.00 0.00 C ATOM 414 O THR A 30 1.895 -4.303 2.547 1.00 0.00 O ATOM 415 CB THR A 30 1.828 -0.905 3.223 1.00 0.00 C ATOM 416 OG1 THR A 30 3.000 -1.526 3.746 1.00 0.00 O ATOM 417 CG2 THR A 30 1.130 -0.329 4.457 1.00 0.00 C ATOM 0 H THR A 30 0.577 -3.068 4.367 1.00 0.00 H new ATOM 0 HA THR A 30 0.507 -1.670 1.727 1.00 0.00 H new ATOM 0 HB THR A 30 1.970 -0.116 2.484 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.773 -0.940 3.602 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.727 0.486 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.146 0.048 4.176 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.018 -1.110 5.209 1.00 0.00 H new ATOM 425 N PRO A 31 2.751 -2.819 1.024 1.00 0.00 N ATOM 426 CA PRO A 31 3.654 -3.780 0.413 1.00 0.00 C ATOM 427 C PRO A 31 4.860 -4.048 1.316 1.00 0.00 C ATOM 428 O PRO A 31 5.537 -5.065 1.167 1.00 0.00 O ATOM 429 CB PRO A 31 4.037 -3.166 -0.923 1.00 0.00 C ATOM 430 CG PRO A 31 3.709 -1.686 -0.811 1.00 0.00 C ATOM 431 CD PRO A 31 2.830 -1.495 0.414 1.00 0.00 C ATOM 0 HA PRO A 31 3.194 -4.758 0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.096 -3.317 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.482 -3.628 -1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.623 -1.098 -0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.195 -1.340 -1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.262 -0.767 1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.842 -1.126 0.139 1.00 0.00 H new ATOM 439 N TYR A 32 5.093 -3.119 2.231 1.00 0.00 N ATOM 440 CA TYR A 32 6.205 -3.243 3.157 1.00 0.00 C ATOM 441 C TYR A 32 5.913 -4.296 4.228 1.00 0.00 C ATOM 442 O TYR A 32 6.809 -5.030 4.642 1.00 0.00 O ATOM 443 CB TYR A 32 6.349 -1.876 3.829 1.00 0.00 C ATOM 444 CG TYR A 32 7.731 -1.621 4.433 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.861 -1.759 3.652 1.00 0.00 C ATOM 446 CD2 TYR A 32 7.849 -1.254 5.758 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.162 -1.519 4.219 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.151 -1.014 6.325 1.00 0.00 C ATOM 449 CZ TYR A 32 10.243 -1.158 5.528 1.00 0.00 C ATOM 450 OH TYR A 32 11.472 -0.931 6.064 1.00 0.00 O ATOM 0 H TYR A 32 4.530 -2.277 2.351 1.00 0.00 H new ATOM 0 HA TYR A 32 7.110 -3.548 2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.135 -1.098 3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.599 -1.788 4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.769 -2.047 2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.965 -1.147 6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.054 -1.623 3.619 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.258 -0.726 7.360 1.00 0.00 H new ATOM 0 HH TYR A 32 11.377 -0.680 7.007 1.00 0.00 H new ATOM 460 N GLN A 33 4.656 -4.337 4.645 1.00 0.00 N ATOM 461 CA GLN A 33 4.235 -5.289 5.659 1.00 0.00 C ATOM 462 C GLN A 33 4.167 -6.699 5.068 1.00 0.00 C ATOM 463 O GLN A 33 4.778 -7.627 5.596 1.00 0.00 O ATOM 464 CB GLN A 33 2.890 -4.883 6.266 1.00 0.00 C ATOM 465 CG GLN A 33 3.091 -4.055 7.537 1.00 0.00 C ATOM 466 CD GLN A 33 1.763 -3.473 8.027 1.00 0.00 C ATOM 467 OE1 GLN A 33 1.036 -4.079 8.797 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.488 -2.267 7.538 1.00 0.00 N ATOM 0 H GLN A 33 3.916 -3.727 4.299 1.00 0.00 H new ATOM 0 HA GLN A 33 4.974 -5.288 6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.318 -4.307 5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.307 -5.775 6.497 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.529 -4.679 8.316 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.796 -3.247 7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.141 -1.816 6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.625 -1.794 7.804 1.00 0.00 H new ATOM 477 N ILE A 34 3.418 -6.815 3.982 1.00 0.00 N ATOM 478 CA ILE A 34 3.262 -8.096 3.314 1.00 0.00 C ATOM 479 C ILE A 34 4.606 -8.826 3.299 1.00 0.00 C ATOM 480 O ILE A 34 4.722 -9.932 3.824 1.00 0.00 O ATOM 481 CB ILE A 34 2.650 -7.905 1.925 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.249 -7.298 2.021 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.653 -9.218 1.139 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.272 -8.024 1.094 1.00 0.00 C ATOM 0 H ILE A 34 2.912 -6.043 3.548 1.00 0.00 H new ATOM 0 HA ILE A 34 2.562 -8.728 3.861 1.00 0.00 H new ATOM 0 HB ILE A 34 3.270 -7.198 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.893 -7.358 3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.288 -6.241 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.213 -9.054 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.678 -9.571 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.071 -9.966 1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.716 -7.573 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.618 -7.942 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.217 -9.076 1.375 1.00 0.00 H new ATOM 496 N ALA A 35 5.589 -8.176 2.692 1.00 0.00 N ATOM 497 CA ALA A 35 6.921 -8.750 2.601 1.00 0.00 C ATOM 498 C ALA A 35 7.345 -9.264 3.979 1.00 0.00 C ATOM 499 O ALA A 35 7.625 -10.450 4.143 1.00 0.00 O ATOM 500 CB ALA A 35 7.890 -7.704 2.046 1.00 0.00 C ATOM 0 H ALA A 35 5.489 -7.258 2.259 1.00 0.00 H new ATOM 0 HA ALA A 35 6.928 -9.598 1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.889 -8.134 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.560 -7.392 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.912 -6.840 2.710 1.00 0.00 H new ATOM 506 N CYS A 36 7.378 -8.345 4.933 1.00 0.00 N ATOM 507 CA CYS A 36 7.763 -8.691 6.291 1.00 0.00 C ATOM 508 C CYS A 36 7.104 -10.023 6.653 1.00 0.00 C ATOM 509 O CYS A 36 7.756 -10.916 7.192 1.00 0.00 O ATOM 510 CB CYS A 36 7.396 -7.584 7.282 1.00 0.00 C ATOM 511 SG CYS A 36 8.720 -7.398 8.531 1.00 0.00 S ATOM 0 H CYS A 36 7.145 -7.362 4.793 1.00 0.00 H new ATOM 0 HA CYS A 36 8.846 -8.796 6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.251 -6.643 6.751 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.452 -7.822 7.773 1.00 0.00 H new ATOM 0 HG CYS A 36 8.400 -6.454 9.366 1.00 0.00 H new ATOM 517 N GLY A 37 5.820 -10.115 6.342 1.00 0.00 N ATOM 518 CA GLY A 37 5.065 -11.324 6.627 1.00 0.00 C ATOM 519 C GLY A 37 5.854 -12.571 6.224 1.00 0.00 C ATOM 520 O GLY A 37 6.074 -13.463 7.042 1.00 0.00 O ATOM 0 H GLY A 37 5.283 -9.372 5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.828 -11.367 7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.117 -11.300 6.090 1.00 0.00 H new ATOM 524 N ILE A 38 6.259 -12.593 4.962 1.00 0.00 N ATOM 525 CA ILE A 38 7.019 -13.716 4.440 1.00 0.00 C ATOM 526 C ILE A 38 8.039 -14.168 5.488 1.00 0.00 C ATOM 527 O ILE A 38 7.885 -15.228 6.093 1.00 0.00 O ATOM 528 CB ILE A 38 7.642 -13.360 3.089 1.00 0.00 C ATOM 529 CG1 ILE A 38 6.579 -13.319 1.989 1.00 0.00 C ATOM 530 CG2 ILE A 38 8.787 -14.314 2.745 1.00 0.00 C ATOM 531 CD1 ILE A 38 6.278 -11.879 1.571 1.00 0.00 C ATOM 0 H ILE A 38 6.075 -11.851 4.286 1.00 0.00 H new ATOM 0 HA ILE A 38 6.362 -14.564 4.248 1.00 0.00 H new ATOM 0 HB ILE A 38 8.068 -12.359 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.922 -13.888 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.666 -13.797 2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.212 -14.039 1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 38 9.558 -14.249 3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.408 -15.335 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.520 -11.878 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.912 -11.319 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.188 -11.412 1.195 1.00 0.00 H new ATOM 543 N SER A 39 9.058 -13.340 5.670 1.00 0.00 N ATOM 544 CA SER A 39 10.102 -13.641 6.634 1.00 0.00 C ATOM 545 C SER A 39 10.883 -12.369 6.973 1.00 0.00 C ATOM 546 O SER A 39 11.456 -11.734 6.090 1.00 0.00 O ATOM 547 CB SER A 39 11.049 -14.719 6.102 1.00 0.00 C ATOM 548 OG SER A 39 10.593 -16.032 6.414 1.00 0.00 O ATOM 0 H SER A 39 9.182 -12.462 5.166 1.00 0.00 H new ATOM 0 HA SER A 39 9.632 -14.024 7.540 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.145 -14.616 5.021 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.042 -14.570 6.526 1.00 0.00 H new ATOM 0 HG SER A 39 9.615 -16.059 6.363 1.00 0.00 H new ATOM 554 N GLN A 40 10.881 -12.036 8.256 1.00 0.00 N ATOM 555 CA GLN A 40 11.581 -10.852 8.723 1.00 0.00 C ATOM 556 C GLN A 40 12.957 -10.754 8.061 1.00 0.00 C ATOM 557 O GLN A 40 13.860 -11.527 8.378 1.00 0.00 O ATOM 558 CB GLN A 40 11.706 -10.854 10.248 1.00 0.00 C ATOM 559 CG GLN A 40 10.403 -10.394 10.904 1.00 0.00 C ATOM 560 CD GLN A 40 10.683 -9.616 12.192 1.00 0.00 C ATOM 561 OE1 GLN A 40 11.151 -10.153 13.183 1.00 0.00 O ATOM 562 NE2 GLN A 40 10.371 -8.325 12.123 1.00 0.00 N ATOM 0 H GLN A 40 10.405 -12.566 8.986 1.00 0.00 H new ATOM 0 HA GLN A 40 10.999 -9.975 8.440 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.958 -11.856 10.595 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.522 -10.197 10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.844 -9.766 10.210 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.778 -11.259 11.126 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.983 -7.939 11.262 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.520 -7.720 12.931 1.00 0.00 H new ATOM 571 N GLY A 41 13.074 -9.797 7.152 1.00 0.00 N ATOM 572 CA GLY A 41 14.325 -9.587 6.443 1.00 0.00 C ATOM 573 C GLY A 41 14.070 -9.142 5.001 1.00 0.00 C ATOM 574 O GLY A 41 14.782 -8.287 4.477 1.00 0.00 O ATOM 0 H GLY A 41 12.323 -9.158 6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.918 -8.833 6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.908 -10.508 6.445 1.00 0.00 H new ATOM 578 N LEU A 42 13.051 -9.741 4.402 1.00 0.00 N ATOM 579 CA LEU A 42 12.693 -9.416 3.032 1.00 0.00 C ATOM 580 C LEU A 42 12.294 -7.941 2.949 1.00 0.00 C ATOM 581 O LEU A 42 12.823 -7.197 2.125 1.00 0.00 O ATOM 582 CB LEU A 42 11.616 -10.374 2.519 1.00 0.00 C ATOM 583 CG LEU A 42 11.633 -10.659 1.015 1.00 0.00 C ATOM 584 CD1 LEU A 42 10.495 -11.604 0.623 1.00 0.00 C ATOM 585 CD2 LEU A 42 11.601 -9.358 0.210 1.00 0.00 C ATOM 0 H LEU A 42 12.462 -10.449 4.840 1.00 0.00 H new ATOM 0 HA LEU A 42 13.550 -9.552 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.718 -11.321 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.640 -9.965 2.780 1.00 0.00 H new ATOM 0 HG LEU A 42 12.568 -11.164 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.530 -11.790 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.604 -12.547 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.539 -11.149 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.614 -9.589 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.694 -8.804 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.473 -8.753 0.461 1.00 0.00 H new ATOM 597 N ALA A 43 11.365 -7.563 3.814 1.00 0.00 N ATOM 598 CA ALA A 43 10.889 -6.190 3.849 1.00 0.00 C ATOM 599 C ALA A 43 12.085 -5.244 3.978 1.00 0.00 C ATOM 600 O ALA A 43 12.104 -4.176 3.369 1.00 0.00 O ATOM 601 CB ALA A 43 9.889 -6.026 4.995 1.00 0.00 C ATOM 0 H ALA A 43 10.929 -8.183 4.496 1.00 0.00 H new ATOM 0 HA ALA A 43 10.369 -5.940 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.532 -4.997 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.045 -6.699 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.376 -6.266 5.940 1.00 0.00 H new ATOM 607 N ASP A 44 13.054 -5.671 4.775 1.00 0.00 N ATOM 608 CA ASP A 44 14.250 -4.875 4.992 1.00 0.00 C ATOM 609 C ASP A 44 15.082 -4.854 3.708 1.00 0.00 C ATOM 610 O ASP A 44 15.780 -3.879 3.433 1.00 0.00 O ATOM 611 CB ASP A 44 15.114 -5.471 6.105 1.00 0.00 C ATOM 612 CG ASP A 44 15.750 -4.448 7.047 1.00 0.00 C ATOM 613 OD1 ASP A 44 14.976 -3.679 7.657 1.00 0.00 O ATOM 614 OD2 ASP A 44 16.997 -4.458 7.137 1.00 0.00 O ATOM 0 H ASP A 44 13.035 -6.558 5.278 1.00 0.00 H new ATOM 0 HA ASP A 44 13.939 -3.870 5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.501 -6.153 6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.906 -6.066 5.650 1.00 0.00 H new ATOM 619 N ASN A 45 14.980 -5.940 2.956 1.00 0.00 N ATOM 620 CA ASN A 45 15.715 -6.057 1.708 1.00 0.00 C ATOM 621 C ASN A 45 14.763 -5.811 0.536 1.00 0.00 C ATOM 622 O ASN A 45 14.441 -6.734 -0.212 1.00 0.00 O ATOM 623 CB ASN A 45 16.308 -7.458 1.548 1.00 0.00 C ATOM 624 CG ASN A 45 17.607 -7.598 2.346 1.00 0.00 C ATOM 625 OD1 ASN A 45 18.115 -6.651 2.925 1.00 0.00 O ATOM 626 ND2 ASN A 45 18.113 -8.827 2.344 1.00 0.00 N ATOM 0 H ASN A 45 14.400 -6.747 3.187 1.00 0.00 H new ATOM 0 HA ASN A 45 16.521 -5.323 1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.587 -8.203 1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 45 16.501 -7.657 0.494 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.978 -9.023 2.848 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.636 -9.574 1.839 1.00 0.00 H new ATOM 633 N THR A 46 14.339 -4.562 0.411 1.00 0.00 N ATOM 634 CA THR A 46 13.430 -4.183 -0.657 1.00 0.00 C ATOM 635 C THR A 46 13.841 -2.835 -1.253 1.00 0.00 C ATOM 636 O THR A 46 14.362 -1.973 -0.547 1.00 0.00 O ATOM 637 CB THR A 46 12.008 -4.190 -0.093 1.00 0.00 C ATOM 638 OG1 THR A 46 11.922 -5.422 0.618 1.00 0.00 O ATOM 639 CG2 THR A 46 10.945 -4.315 -1.187 1.00 0.00 C ATOM 0 H THR A 46 14.608 -3.799 1.032 1.00 0.00 H new ATOM 0 HA THR A 46 13.471 -4.894 -1.482 1.00 0.00 H new ATOM 0 HB THR A 46 11.838 -3.275 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.379 -5.335 1.480 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.954 -4.315 -0.733 1.00 0.00 H new ATOM 0 HG22 THR A 46 11.029 -3.473 -1.874 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.094 -5.246 -1.734 1.00 0.00 H new ATOM 647 N VAL A 47 13.592 -2.696 -2.547 1.00 0.00 N ATOM 648 CA VAL A 47 13.929 -1.467 -3.246 1.00 0.00 C ATOM 649 C VAL A 47 12.647 -0.688 -3.547 1.00 0.00 C ATOM 650 O VAL A 47 12.444 0.406 -3.022 1.00 0.00 O ATOM 651 CB VAL A 47 14.743 -1.787 -4.502 1.00 0.00 C ATOM 652 CG1 VAL A 47 15.452 -0.537 -5.028 1.00 0.00 C ATOM 653 CG2 VAL A 47 15.742 -2.914 -4.236 1.00 0.00 C ATOM 0 H VAL A 47 13.161 -3.414 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 47 14.556 -0.831 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 47 14.051 -2.129 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.023 -0.791 -5.921 1.00 0.00 H new ATOM 0 HG12 VAL A 47 14.712 0.224 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.126 -0.152 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.307 -3.121 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 47 16.427 -2.613 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.205 -3.812 -3.930 1.00 0.00 H new ATOM 663 N ILE A 48 11.816 -1.282 -4.390 1.00 0.00 N ATOM 664 CA ILE A 48 10.559 -0.657 -4.767 1.00 0.00 C ATOM 665 C ILE A 48 9.513 -1.742 -5.028 1.00 0.00 C ATOM 666 O ILE A 48 9.745 -2.656 -5.818 1.00 0.00 O ATOM 667 CB ILE A 48 10.766 0.294 -5.948 1.00 0.00 C ATOM 668 CG1 ILE A 48 11.385 1.615 -5.486 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.460 0.510 -6.714 1.00 0.00 C ATOM 670 CD1 ILE A 48 10.460 2.341 -4.507 1.00 0.00 C ATOM 0 H ILE A 48 11.988 -2.189 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 48 10.182 -0.039 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 48 11.471 -0.168 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.346 1.423 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.579 2.252 -6.349 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.635 1.190 -7.548 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.099 -0.446 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.713 0.940 -6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.924 3.277 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.508 2.553 -4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.288 1.712 -3.634 1.00 0.00 H new ATOM 682 N ALA A 49 8.384 -1.606 -4.348 1.00 0.00 N ATOM 683 CA ALA A 49 7.301 -2.564 -4.497 1.00 0.00 C ATOM 684 C ALA A 49 6.343 -2.079 -5.587 1.00 0.00 C ATOM 685 O ALA A 49 5.996 -0.900 -5.634 1.00 0.00 O ATOM 686 CB ALA A 49 6.602 -2.757 -3.150 1.00 0.00 C ATOM 0 H ALA A 49 8.196 -0.847 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 49 7.687 -3.535 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.790 -3.475 -3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.319 -3.130 -2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.199 -1.803 -2.809 1.00 0.00 H new ATOM 692 N LYS A 50 5.943 -3.014 -6.436 1.00 0.00 N ATOM 693 CA LYS A 50 5.032 -2.697 -7.523 1.00 0.00 C ATOM 694 C LYS A 50 3.609 -3.093 -7.122 1.00 0.00 C ATOM 695 O LYS A 50 3.409 -4.097 -6.440 1.00 0.00 O ATOM 696 CB LYS A 50 5.506 -3.344 -8.826 1.00 0.00 C ATOM 697 CG LYS A 50 6.535 -2.460 -9.534 1.00 0.00 C ATOM 698 CD LYS A 50 6.838 -2.988 -10.938 1.00 0.00 C ATOM 699 CE LYS A 50 7.405 -1.881 -11.829 1.00 0.00 C ATOM 700 NZ LYS A 50 8.584 -2.371 -12.576 1.00 0.00 N ATOM 0 H LYS A 50 6.233 -3.991 -6.393 1.00 0.00 H new ATOM 0 HA LYS A 50 5.024 -1.624 -7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.944 -4.319 -8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.653 -3.514 -9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.159 -1.439 -9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.454 -2.425 -8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.551 -3.810 -10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.928 -3.389 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.640 -1.540 -12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.685 -1.022 -11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.123 -1.561 -12.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.189 -2.931 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.270 -2.966 -13.369 1.00 0.00 H new ATOM 714 N VAL A 51 2.657 -2.283 -7.563 1.00 0.00 N ATOM 715 CA VAL A 51 1.259 -2.537 -7.258 1.00 0.00 C ATOM 716 C VAL A 51 0.442 -2.479 -8.550 1.00 0.00 C ATOM 717 O VAL A 51 0.075 -1.399 -9.009 1.00 0.00 O ATOM 718 CB VAL A 51 0.768 -1.551 -6.196 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.755 -1.604 -6.061 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.447 -1.813 -4.850 1.00 0.00 C ATOM 0 H VAL A 51 2.826 -1.451 -8.129 1.00 0.00 H new ATOM 0 HA VAL A 51 1.134 -3.535 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 51 1.041 -0.546 -6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.078 -0.894 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.214 -1.347 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.060 -2.610 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.081 -1.099 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.219 -2.826 -4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.526 -1.701 -4.959 1.00 0.00 H new ATOM 730 N ASN A 52 0.181 -3.656 -9.101 1.00 0.00 N ATOM 731 CA ASN A 52 -0.586 -3.753 -10.331 1.00 0.00 C ATOM 732 C ASN A 52 0.334 -3.481 -11.523 1.00 0.00 C ATOM 733 O ASN A 52 -0.127 -3.067 -12.586 1.00 0.00 O ATOM 734 CB ASN A 52 -1.714 -2.720 -10.360 1.00 0.00 C ATOM 735 CG ASN A 52 -2.961 -3.289 -11.040 1.00 0.00 C ATOM 736 OD1 ASN A 52 -3.406 -2.817 -12.073 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.498 -4.327 -10.405 1.00 0.00 N ATOM 0 H ASN A 52 0.487 -4.550 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.013 -4.755 -10.384 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.958 -2.414 -9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.381 -1.828 -10.890 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.333 -4.778 -10.779 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.075 -4.672 -9.544 1.00 0.00 H new ATOM 744 N ASN A 53 1.618 -3.726 -11.307 1.00 0.00 N ATOM 745 CA ASN A 53 2.607 -3.513 -12.351 1.00 0.00 C ATOM 746 C ASN A 53 2.991 -2.033 -12.388 1.00 0.00 C ATOM 747 O ASN A 53 3.541 -1.555 -13.379 1.00 0.00 O ATOM 748 CB ASN A 53 2.048 -3.891 -13.724 1.00 0.00 C ATOM 749 CG ASN A 53 3.158 -4.399 -14.646 1.00 0.00 C ATOM 750 OD1 ASN A 53 4.186 -3.769 -14.829 1.00 0.00 O ATOM 751 ND2 ASN A 53 2.893 -5.571 -15.216 1.00 0.00 N ATOM 0 H ASN A 53 1.997 -4.070 -10.425 1.00 0.00 H new ATOM 0 HA ASN A 53 3.472 -4.138 -12.129 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.284 -4.660 -13.611 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.564 -3.025 -14.175 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.571 -5.995 -15.850 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.012 -6.046 -15.020 1.00 0.00 H new ATOM 758 N VAL A 54 2.687 -1.347 -11.296 1.00 0.00 N ATOM 759 CA VAL A 54 2.994 0.069 -11.191 1.00 0.00 C ATOM 760 C VAL A 54 3.750 0.327 -9.886 1.00 0.00 C ATOM 761 O VAL A 54 3.351 -0.155 -8.827 1.00 0.00 O ATOM 762 CB VAL A 54 1.711 0.893 -11.312 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.610 0.093 -12.011 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.245 1.386 -9.941 1.00 0.00 C ATOM 0 H VAL A 54 2.231 -1.746 -10.476 1.00 0.00 H new ATOM 0 HA VAL A 54 3.643 0.381 -12.009 1.00 0.00 H new ATOM 0 HB VAL A 54 1.930 1.767 -11.925 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.291 0.702 -12.084 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.942 -0.186 -13.011 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.394 -0.808 -11.436 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.331 1.969 -10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.051 0.531 -9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.020 2.010 -9.496 1.00 0.00 H new ATOM 774 N VAL A 55 4.829 1.088 -10.005 1.00 0.00 N ATOM 775 CA VAL A 55 5.644 1.416 -8.848 1.00 0.00 C ATOM 776 C VAL A 55 4.736 1.865 -7.700 1.00 0.00 C ATOM 777 O VAL A 55 3.809 2.646 -7.907 1.00 0.00 O ATOM 778 CB VAL A 55 6.692 2.465 -9.226 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.407 2.998 -7.984 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.693 1.900 -10.236 1.00 0.00 C ATOM 0 H VAL A 55 5.157 1.486 -10.885 1.00 0.00 H new ATOM 0 HA VAL A 55 6.191 0.538 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 55 6.175 3.300 -9.698 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.146 3.742 -8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.680 3.457 -7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.905 2.176 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.427 2.665 -10.488 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.201 1.039 -9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.165 1.593 -11.139 1.00 0.00 H new ATOM 790 N TRP A 56 5.035 1.352 -6.516 1.00 0.00 N ATOM 791 CA TRP A 56 4.258 1.690 -5.336 1.00 0.00 C ATOM 792 C TRP A 56 5.233 1.936 -4.183 1.00 0.00 C ATOM 793 O TRP A 56 6.349 1.421 -4.188 1.00 0.00 O ATOM 794 CB TRP A 56 3.229 0.601 -5.027 1.00 0.00 C ATOM 795 CG TRP A 56 1.936 1.126 -4.399 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.633 1.228 -3.098 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.778 1.620 -5.104 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.369 1.750 -2.913 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.168 1.996 -4.171 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.536 1.746 -6.483 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.418 2.522 -4.517 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.718 2.273 -6.812 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.681 2.656 -5.886 1.00 0.00 C ATOM 0 H TRP A 56 5.805 0.704 -6.348 1.00 0.00 H new ATOM 0 HA TRP A 56 3.679 2.598 -5.502 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.985 0.074 -5.949 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.678 -0.128 -4.353 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.295 0.938 -2.295 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.087 1.923 -2.017 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.261 1.459 -7.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.141 2.809 -3.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.954 2.390 -7.859 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.627 3.055 -6.220 1.00 0.00 H new ATOM 814 N ASP A 57 4.775 2.724 -3.221 1.00 0.00 N ATOM 815 CA ASP A 57 5.592 3.045 -2.063 1.00 0.00 C ATOM 816 C ASP A 57 5.358 1.997 -0.973 1.00 0.00 C ATOM 817 O ASP A 57 4.275 1.420 -0.884 1.00 0.00 O ATOM 818 CB ASP A 57 5.222 4.414 -1.490 1.00 0.00 C ATOM 819 CG ASP A 57 5.097 5.535 -2.524 1.00 0.00 C ATOM 820 OD1 ASP A 57 6.159 6.058 -2.926 1.00 0.00 O ATOM 821 OD2 ASP A 57 3.942 5.844 -2.890 1.00 0.00 O ATOM 0 H ASP A 57 3.848 3.150 -3.220 1.00 0.00 H new ATOM 0 HA ASP A 57 6.635 3.057 -2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.275 4.324 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.975 4.700 -0.756 1.00 0.00 H new ATOM 826 N LEU A 58 6.390 1.784 -0.170 1.00 0.00 N ATOM 827 CA LEU A 58 6.310 0.817 0.911 1.00 0.00 C ATOM 828 C LEU A 58 5.571 1.442 2.096 1.00 0.00 C ATOM 829 O LEU A 58 4.938 0.737 2.879 1.00 0.00 O ATOM 830 CB LEU A 58 7.703 0.290 1.263 1.00 0.00 C ATOM 831 CG LEU A 58 8.642 0.036 0.082 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.043 0.579 0.370 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.667 -1.447 -0.289 1.00 0.00 C ATOM 0 H LEU A 58 7.286 2.265 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 58 5.734 -0.055 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.181 1.003 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.588 -0.642 1.817 1.00 0.00 H new ATOM 0 HG LEU A 58 8.258 0.577 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.691 0.386 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.988 1.653 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.450 0.086 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.342 -1.600 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.014 -2.030 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.663 -1.770 -0.565 1.00 0.00 H new ATOM 845 N ASP A 59 5.677 2.759 2.190 1.00 0.00 N ATOM 846 CA ASP A 59 5.027 3.488 3.266 1.00 0.00 C ATOM 847 C ASP A 59 3.588 3.811 2.860 1.00 0.00 C ATOM 848 O ASP A 59 2.835 4.393 3.640 1.00 0.00 O ATOM 849 CB ASP A 59 5.746 4.808 3.550 1.00 0.00 C ATOM 850 CG ASP A 59 5.147 5.639 4.687 1.00 0.00 C ATOM 851 OD1 ASP A 59 4.123 6.306 4.424 1.00 0.00 O ATOM 852 OD2 ASP A 59 5.726 5.587 5.793 1.00 0.00 O ATOM 0 H ASP A 59 6.204 3.341 1.538 1.00 0.00 H new ATOM 0 HA ASP A 59 5.053 2.864 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.788 4.593 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.743 5.409 2.641 1.00 0.00 H new ATOM 857 N ARG A 60 3.248 3.421 1.640 1.00 0.00 N ATOM 858 CA ARG A 60 1.913 3.662 1.122 1.00 0.00 C ATOM 859 C ARG A 60 1.142 2.345 1.008 1.00 0.00 C ATOM 860 O ARG A 60 1.612 1.399 0.378 1.00 0.00 O ATOM 861 CB ARG A 60 1.968 4.333 -0.252 1.00 0.00 C ATOM 862 CG ARG A 60 0.573 4.764 -0.709 1.00 0.00 C ATOM 863 CD ARG A 60 0.659 5.811 -1.821 1.00 0.00 C ATOM 864 NE ARG A 60 -0.701 6.234 -2.224 1.00 0.00 N ATOM 865 CZ ARG A 60 -1.461 7.085 -1.521 1.00 0.00 C ATOM 866 NH1 ARG A 60 -1.000 7.608 -0.377 1.00 0.00 N ATOM 867 NH2 ARG A 60 -2.683 7.413 -1.963 1.00 0.00 N ATOM 0 H ARG A 60 3.875 2.939 0.995 1.00 0.00 H new ATOM 0 HA ARG A 60 1.402 4.327 1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.625 5.202 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.396 3.644 -0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.019 3.896 -1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.019 5.171 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.230 6.673 -1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.190 5.399 -2.679 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.083 5.854 -3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.070 7.359 -0.041 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.579 8.256 0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.034 7.015 -2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.262 8.061 -1.428 1.00 0.00 H new ATOM 881 N PRO A 61 -0.060 2.326 1.644 1.00 0.00 N ATOM 882 CA PRO A 61 -0.901 1.141 1.620 1.00 0.00 C ATOM 883 C PRO A 61 -1.580 0.978 0.258 1.00 0.00 C ATOM 884 O PRO A 61 -1.900 1.965 -0.402 1.00 0.00 O ATOM 885 CB PRO A 61 -1.890 1.338 2.757 1.00 0.00 C ATOM 886 CG PRO A 61 -1.868 2.824 3.077 1.00 0.00 C ATOM 887 CD PRO A 61 -0.649 3.428 2.400 1.00 0.00 C ATOM 0 HA PRO A 61 -0.335 0.220 1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.890 1.016 2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.607 0.747 3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.779 3.305 2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.824 2.982 4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.928 4.253 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.054 3.826 3.132 1.00 0.00 H new ATOM 895 N LEU A 62 -1.779 -0.275 -0.121 1.00 0.00 N ATOM 896 CA LEU A 62 -2.414 -0.581 -1.392 1.00 0.00 C ATOM 897 C LEU A 62 -3.759 0.145 -1.473 1.00 0.00 C ATOM 898 O LEU A 62 -4.189 0.772 -0.506 1.00 0.00 O ATOM 899 CB LEU A 62 -2.520 -2.094 -1.588 1.00 0.00 C ATOM 900 CG LEU A 62 -1.251 -2.899 -1.299 1.00 0.00 C ATOM 901 CD1 LEU A 62 0.001 -2.082 -1.622 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.244 -3.412 0.143 1.00 0.00 C ATOM 0 H LEU A 62 -1.512 -1.091 0.430 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.804 -0.218 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.318 -2.468 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.822 -2.287 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.244 -3.772 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.889 -2.677 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.006 -1.807 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.014 -1.179 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.332 -3.981 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.286 -2.567 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.110 -4.054 0.305 1.00 0.00 H new ATOM 914 N GLU A 63 -4.384 0.037 -2.636 1.00 0.00 N ATOM 915 CA GLU A 63 -5.671 0.675 -2.856 1.00 0.00 C ATOM 916 C GLU A 63 -6.764 -0.380 -3.034 1.00 0.00 C ATOM 917 O GLU A 63 -7.881 -0.211 -2.549 1.00 0.00 O ATOM 918 CB GLU A 63 -5.617 1.618 -4.060 1.00 0.00 C ATOM 919 CG GLU A 63 -5.200 3.027 -3.635 1.00 0.00 C ATOM 920 CD GLU A 63 -5.573 4.055 -4.705 1.00 0.00 C ATOM 921 OE1 GLU A 63 -6.730 4.527 -4.659 1.00 0.00 O ATOM 922 OE2 GLU A 63 -4.694 4.347 -5.543 1.00 0.00 O ATOM 0 H GLU A 63 -4.023 -0.483 -3.436 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.912 1.274 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.912 1.233 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.594 1.654 -4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.684 3.285 -2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.125 3.054 -3.458 1.00 0.00 H new ATOM 929 N GLU A 64 -6.403 -1.447 -3.732 1.00 0.00 N ATOM 930 CA GLU A 64 -7.339 -2.531 -3.981 1.00 0.00 C ATOM 931 C GLU A 64 -6.596 -3.767 -4.491 1.00 0.00 C ATOM 932 O GLU A 64 -5.398 -3.708 -4.763 1.00 0.00 O ATOM 933 CB GLU A 64 -8.427 -2.099 -4.966 1.00 0.00 C ATOM 934 CG GLU A 64 -7.840 -1.844 -6.355 1.00 0.00 C ATOM 935 CD GLU A 64 -8.574 -0.701 -7.059 1.00 0.00 C ATOM 936 OE1 GLU A 64 -9.569 -1.007 -7.751 1.00 0.00 O ATOM 937 OE2 GLU A 64 -8.124 0.453 -6.890 1.00 0.00 O ATOM 0 H GLU A 64 -5.475 -1.584 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.827 -2.788 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.194 -2.871 -5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.914 -1.194 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.781 -1.601 -6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.911 -2.751 -6.956 1.00 0.00 H new ATOM 944 N ASP A 65 -7.338 -4.859 -4.605 1.00 0.00 N ATOM 945 CA ASP A 65 -6.765 -6.107 -5.078 1.00 0.00 C ATOM 946 C ASP A 65 -5.800 -5.817 -6.229 1.00 0.00 C ATOM 947 O ASP A 65 -6.217 -5.374 -7.298 1.00 0.00 O ATOM 948 CB ASP A 65 -7.852 -7.050 -5.599 1.00 0.00 C ATOM 949 CG ASP A 65 -8.912 -6.389 -6.483 1.00 0.00 C ATOM 950 OD1 ASP A 65 -9.638 -5.524 -5.947 1.00 0.00 O ATOM 951 OD2 ASP A 65 -8.971 -6.763 -7.674 1.00 0.00 O ATOM 0 H ASP A 65 -8.331 -4.905 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.249 -6.579 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.376 -7.851 -6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.349 -7.514 -4.747 1.00 0.00 H new ATOM 956 N CYS A 66 -4.526 -6.078 -5.971 1.00 0.00 N ATOM 957 CA CYS A 66 -3.498 -5.850 -6.972 1.00 0.00 C ATOM 958 C CYS A 66 -2.357 -6.838 -6.721 1.00 0.00 C ATOM 959 O CYS A 66 -2.378 -7.581 -5.741 1.00 0.00 O ATOM 960 CB CYS A 66 -3.010 -4.400 -6.961 1.00 0.00 C ATOM 961 SG CYS A 66 -2.647 -3.874 -5.247 1.00 0.00 S ATOM 0 H CYS A 66 -4.183 -6.445 -5.083 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.911 -6.018 -7.967 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.116 -4.304 -7.577 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.768 -3.749 -7.397 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.761 -3.711 -4.598 1.00 0.00 H new ATOM 967 N THR A 67 -1.388 -6.814 -7.625 1.00 0.00 N ATOM 968 CA THR A 67 -0.240 -7.699 -7.514 1.00 0.00 C ATOM 969 C THR A 67 0.916 -6.987 -6.809 1.00 0.00 C ATOM 970 O THR A 67 1.112 -5.786 -6.989 1.00 0.00 O ATOM 971 CB THR A 67 0.115 -8.190 -8.919 1.00 0.00 C ATOM 972 OG1 THR A 67 -0.011 -7.028 -9.735 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.928 -9.156 -9.483 1.00 0.00 C ATOM 0 H THR A 67 -1.374 -6.196 -8.437 1.00 0.00 H new ATOM 0 HA THR A 67 -0.469 -8.569 -6.898 1.00 0.00 H new ATOM 0 HB THR A 67 1.088 -8.680 -8.897 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.203 -7.256 -10.664 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.627 -9.474 -10.481 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.006 -10.028 -8.833 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.895 -8.656 -9.537 1.00 0.00 H new ATOM 981 N LEU A 68 1.650 -7.758 -6.020 1.00 0.00 N ATOM 982 CA LEU A 68 2.782 -7.216 -5.287 1.00 0.00 C ATOM 983 C LEU A 68 4.078 -7.798 -5.854 1.00 0.00 C ATOM 984 O LEU A 68 4.181 -9.006 -6.064 1.00 0.00 O ATOM 985 CB LEU A 68 2.608 -7.450 -3.785 1.00 0.00 C ATOM 986 CG LEU A 68 3.780 -7.020 -2.900 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.123 -5.546 -3.122 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.496 -7.327 -1.428 1.00 0.00 C ATOM 0 H LEU A 68 1.483 -8.753 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 68 2.836 -6.135 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.715 -6.918 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.425 -8.512 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 68 4.656 -7.601 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.959 -5.266 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.397 -5.389 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.257 -4.930 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.344 -7.012 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.602 -6.790 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.339 -8.398 -1.304 1.00 0.00 H new ATOM 1000 N GLU A 69 5.035 -6.912 -6.087 1.00 0.00 N ATOM 1001 CA GLU A 69 6.320 -7.323 -6.626 1.00 0.00 C ATOM 1002 C GLU A 69 7.434 -6.423 -6.086 1.00 0.00 C ATOM 1003 O GLU A 69 7.355 -5.200 -6.190 1.00 0.00 O ATOM 1004 CB GLU A 69 6.301 -7.313 -8.156 1.00 0.00 C ATOM 1005 CG GLU A 69 7.650 -7.762 -8.723 1.00 0.00 C ATOM 1006 CD GLU A 69 7.583 -7.906 -10.245 1.00 0.00 C ATOM 1007 OE1 GLU A 69 7.414 -6.859 -10.907 1.00 0.00 O ATOM 1008 OE2 GLU A 69 7.703 -9.059 -10.712 1.00 0.00 O ATOM 0 H GLU A 69 4.946 -5.911 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 69 6.517 -8.346 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.512 -7.973 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.067 -6.310 -8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.420 -7.038 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.938 -8.714 -8.276 1.00 0.00 H new ATOM 1015 N LEU A 70 8.446 -7.065 -5.520 1.00 0.00 N ATOM 1016 CA LEU A 70 9.575 -6.338 -4.963 1.00 0.00 C ATOM 1017 C LEU A 70 10.705 -6.292 -5.994 1.00 0.00 C ATOM 1018 O LEU A 70 11.209 -7.333 -6.414 1.00 0.00 O ATOM 1019 CB LEU A 70 9.991 -6.942 -3.621 1.00 0.00 C ATOM 1020 CG LEU A 70 8.876 -7.112 -2.587 1.00 0.00 C ATOM 1021 CD1 LEU A 70 8.019 -5.848 -2.493 1.00 0.00 C ATOM 1022 CD2 LEU A 70 8.035 -8.354 -2.887 1.00 0.00 C ATOM 0 H LEU A 70 8.508 -8.080 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 70 9.296 -5.306 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.438 -7.918 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.768 -6.313 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 70 9.335 -7.263 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.234 -5.995 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.644 -5.006 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.567 -5.642 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.250 -8.452 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.584 -8.258 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.671 -9.239 -2.863 1.00 0.00 H new ATOM 1034 N LEU A 71 11.070 -5.076 -6.371 1.00 0.00 N ATOM 1035 CA LEU A 71 12.131 -4.881 -7.344 1.00 0.00 C ATOM 1036 C LEU A 71 13.486 -5.079 -6.662 1.00 0.00 C ATOM 1037 O LEU A 71 13.610 -4.888 -5.453 1.00 0.00 O ATOM 1038 CB LEU A 71 11.982 -3.523 -8.034 1.00 0.00 C ATOM 1039 CG LEU A 71 10.924 -3.442 -9.136 1.00 0.00 C ATOM 1040 CD1 LEU A 71 9.842 -4.505 -8.935 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.334 -2.033 -9.227 1.00 0.00 C ATOM 0 H LEU A 71 10.650 -4.215 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 71 12.062 -5.625 -8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.746 -2.777 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.946 -3.248 -8.462 1.00 0.00 H new ATOM 0 HG LEU A 71 11.407 -3.651 -10.090 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.102 -4.426 -9.731 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.296 -5.496 -8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.356 -4.352 -7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.585 -2.003 -10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.869 -1.771 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.127 -1.320 -9.451 1.00 0.00 H new ATOM 1053 N LYS A 72 14.467 -5.460 -7.466 1.00 0.00 N ATOM 1054 CA LYS A 72 15.808 -5.687 -6.955 1.00 0.00 C ATOM 1055 C LYS A 72 16.714 -4.529 -7.379 1.00 0.00 C ATOM 1056 O LYS A 72 16.808 -4.213 -8.564 1.00 0.00 O ATOM 1057 CB LYS A 72 16.322 -7.061 -7.390 1.00 0.00 C ATOM 1058 CG LYS A 72 17.678 -7.367 -6.750 1.00 0.00 C ATOM 1059 CD LYS A 72 17.990 -8.863 -6.815 1.00 0.00 C ATOM 1060 CE LYS A 72 19.169 -9.137 -7.750 1.00 0.00 C ATOM 1061 NZ LYS A 72 20.433 -9.207 -6.983 1.00 0.00 N ATOM 0 H LYS A 72 14.360 -5.617 -8.468 1.00 0.00 H new ATOM 0 HA LYS A 72 15.802 -5.705 -5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.601 -7.829 -7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.413 -7.092 -8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 72 18.460 -6.806 -7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.677 -7.037 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.220 -9.234 -5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.112 -9.407 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.008 -10.074 -8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.236 -8.350 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.223 -9.394 -7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.593 -8.303 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.372 -9.974 -6.283 1.00 0.00 H new ATOM 1075 N PHE A 73 17.356 -3.929 -6.389 1.00 0.00 N ATOM 1076 CA PHE A 73 18.251 -2.813 -6.645 1.00 0.00 C ATOM 1077 C PHE A 73 17.785 -2.003 -7.857 1.00 0.00 C ATOM 1078 O PHE A 73 18.582 -1.680 -8.736 1.00 0.00 O ATOM 1079 CB PHE A 73 19.630 -3.404 -6.942 1.00 0.00 C ATOM 1080 CG PHE A 73 20.492 -3.628 -5.697 1.00 0.00 C ATOM 1081 CD1 PHE A 73 20.527 -2.687 -4.716 1.00 0.00 C ATOM 1082 CD2 PHE A 73 21.223 -4.768 -5.573 1.00 0.00 C ATOM 1083 CE1 PHE A 73 21.327 -2.895 -3.561 1.00 0.00 C ATOM 1084 CE2 PHE A 73 22.023 -4.976 -4.418 1.00 0.00 C ATOM 1085 CZ PHE A 73 22.058 -4.035 -3.437 1.00 0.00 C ATOM 0 H PHE A 73 17.275 -4.194 -5.407 1.00 0.00 H new ATOM 0 HA PHE A 73 18.271 -2.147 -5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 73 19.503 -4.355 -7.459 1.00 0.00 H new ATOM 0 HB3 PHE A 73 20.160 -2.739 -7.624 1.00 0.00 H new ATOM 0 HD1 PHE A 73 19.947 -1.782 -4.815 1.00 0.00 H new ATOM 0 HD2 PHE A 73 21.195 -5.515 -6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 73 21.355 -2.148 -2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 73 22.603 -5.881 -4.319 1.00 0.00 H new ATOM 0 HZ PHE A 73 22.667 -4.193 -2.559 1.00 0.00 H new ATOM 1095 N GLU A 74 16.495 -1.699 -7.864 1.00 0.00 N ATOM 1096 CA GLU A 74 15.913 -0.933 -8.953 1.00 0.00 C ATOM 1097 C GLU A 74 16.886 0.153 -9.417 1.00 0.00 C ATOM 1098 O GLU A 74 17.490 0.842 -8.596 1.00 0.00 O ATOM 1099 CB GLU A 74 14.570 -0.328 -8.542 1.00 0.00 C ATOM 1100 CG GLU A 74 14.767 1.020 -7.844 1.00 0.00 C ATOM 1101 CD GLU A 74 14.745 2.169 -8.854 1.00 0.00 C ATOM 1102 OE1 GLU A 74 13.626 2.626 -9.169 1.00 0.00 O ATOM 1103 OE2 GLU A 74 15.849 2.563 -9.289 1.00 0.00 O ATOM 0 H GLU A 74 15.837 -1.969 -7.133 1.00 0.00 H new ATOM 0 HA GLU A 74 15.728 -1.608 -9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.941 -0.197 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.047 -1.014 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.982 1.168 -7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.716 1.021 -7.308 1.00 0.00 H new ATOM 1110 N ASP A 75 17.006 0.273 -10.731 1.00 0.00 N ATOM 1111 CA ASP A 75 17.895 1.265 -11.314 1.00 0.00 C ATOM 1112 C ASP A 75 17.079 2.230 -12.176 1.00 0.00 C ATOM 1113 O ASP A 75 17.613 2.849 -13.095 1.00 0.00 O ATOM 1114 CB ASP A 75 18.945 0.604 -12.208 1.00 0.00 C ATOM 1115 CG ASP A 75 20.397 0.845 -11.787 1.00 0.00 C ATOM 1116 OD1 ASP A 75 20.938 1.896 -12.192 1.00 0.00 O ATOM 1117 OD2 ASP A 75 20.932 -0.029 -11.070 1.00 0.00 O ATOM 0 H ASP A 75 16.503 -0.300 -11.409 1.00 0.00 H new ATOM 0 HA ASP A 75 18.394 1.792 -10.500 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.761 -0.470 -12.226 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.813 0.967 -13.227 1.00 0.00 H new ATOM 1122 N GLU A 76 15.799 2.329 -11.848 1.00 0.00 N ATOM 1123 CA GLU A 76 14.905 3.209 -12.580 1.00 0.00 C ATOM 1124 C GLU A 76 15.186 4.670 -12.221 1.00 0.00 C ATOM 1125 O GLU A 76 15.433 5.493 -13.102 1.00 0.00 O ATOM 1126 CB GLU A 76 13.442 2.850 -12.313 1.00 0.00 C ATOM 1127 CG GLU A 76 12.791 2.240 -13.556 1.00 0.00 C ATOM 1128 CD GLU A 76 11.395 1.703 -13.235 1.00 0.00 C ATOM 1129 OE1 GLU A 76 10.466 2.537 -13.171 1.00 0.00 O ATOM 1130 OE2 GLU A 76 11.287 0.470 -13.062 1.00 0.00 O ATOM 0 H GLU A 76 15.360 1.814 -11.085 1.00 0.00 H new ATOM 0 HA GLU A 76 15.088 3.076 -13.646 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.382 2.145 -11.484 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.894 3.743 -12.012 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.724 2.992 -14.342 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.416 1.433 -13.940 1.00 0.00 H new ATOM 1137 N GLU A 77 15.138 4.947 -10.927 1.00 0.00 N ATOM 1138 CA GLU A 77 15.384 6.294 -10.441 1.00 0.00 C ATOM 1139 C GLU A 77 16.267 6.255 -9.192 1.00 0.00 C ATOM 1140 O GLU A 77 16.822 5.211 -8.852 1.00 0.00 O ATOM 1141 CB GLU A 77 14.069 7.025 -10.159 1.00 0.00 C ATOM 1142 CG GLU A 77 14.162 8.497 -10.564 1.00 0.00 C ATOM 1143 CD GLU A 77 13.116 8.841 -11.626 1.00 0.00 C ATOM 1144 OE1 GLU A 77 11.990 8.311 -11.507 1.00 0.00 O ATOM 1145 OE2 GLU A 77 13.466 9.626 -12.534 1.00 0.00 O ATOM 0 H GLU A 77 14.932 4.262 -10.200 1.00 0.00 H new ATOM 0 HA GLU A 77 15.911 6.848 -11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.257 6.544 -10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.828 6.950 -9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.017 9.129 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.159 8.710 -10.949 1.00 0.00 H new ATOM 1152 N ALA A 78 16.371 7.405 -8.543 1.00 0.00 N ATOM 1153 CA ALA A 78 17.177 7.516 -7.339 1.00 0.00 C ATOM 1154 C ALA A 78 16.451 8.399 -6.323 1.00 0.00 C ATOM 1155 O ALA A 78 16.306 8.025 -5.161 1.00 0.00 O ATOM 1156 CB ALA A 78 18.562 8.058 -7.700 1.00 0.00 C ATOM 0 H ALA A 78 15.910 8.269 -8.828 1.00 0.00 H new ATOM 0 HA ALA A 78 17.319 6.537 -6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.167 8.141 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 78 19.047 7.378 -8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.460 9.041 -8.160 1.00 0.00 H new ATOM 1162 N GLN A 79 16.014 9.556 -6.799 1.00 0.00 N ATOM 1163 CA GLN A 79 15.307 10.497 -5.946 1.00 0.00 C ATOM 1164 C GLN A 79 14.151 9.797 -5.229 1.00 0.00 C ATOM 1165 O GLN A 79 14.032 9.881 -4.007 1.00 0.00 O ATOM 1166 CB GLN A 79 14.806 11.697 -6.751 1.00 0.00 C ATOM 1167 CG GLN A 79 15.394 13.003 -6.212 1.00 0.00 C ATOM 1168 CD GLN A 79 14.495 13.603 -5.129 1.00 0.00 C ATOM 1169 OE1 GLN A 79 13.745 14.537 -5.356 1.00 0.00 O ATOM 1170 NE2 GLN A 79 14.614 13.015 -3.942 1.00 0.00 N ATOM 0 H GLN A 79 16.136 9.863 -7.764 1.00 0.00 H new ATOM 0 HA GLN A 79 16.003 10.870 -5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 79 15.080 11.576 -7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.718 11.739 -6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 79 16.387 12.817 -5.803 1.00 0.00 H new ATOM 0 HG3 GLN A 79 15.513 13.716 -7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.262 12.237 -3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.057 13.342 -3.153 1.00 0.00 H new ATOM 1179 N ALA A 80 13.328 9.122 -6.018 1.00 0.00 N ATOM 1180 CA ALA A 80 12.186 8.408 -5.474 1.00 0.00 C ATOM 1181 C ALA A 80 12.499 6.912 -5.429 1.00 0.00 C ATOM 1182 O ALA A 80 12.298 6.202 -6.414 1.00 0.00 O ATOM 1183 CB ALA A 80 10.943 8.719 -6.310 1.00 0.00 C ATOM 0 H ALA A 80 13.430 9.055 -7.031 1.00 0.00 H new ATOM 0 HA ALA A 80 11.982 8.733 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.086 8.183 -5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.746 9.791 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.110 8.405 -7.340 1.00 0.00 H new ATOM 1189 N VAL A 81 12.987 6.475 -4.277 1.00 0.00 N ATOM 1190 CA VAL A 81 13.331 5.076 -4.092 1.00 0.00 C ATOM 1191 C VAL A 81 13.214 4.719 -2.609 1.00 0.00 C ATOM 1192 O VAL A 81 12.570 3.733 -2.252 1.00 0.00 O ATOM 1193 CB VAL A 81 14.721 4.797 -4.667 1.00 0.00 C ATOM 1194 CG1 VAL A 81 15.229 3.422 -4.230 1.00 0.00 C ATOM 1195 CG2 VAL A 81 14.719 4.922 -6.191 1.00 0.00 C ATOM 0 H VAL A 81 13.152 7.066 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 81 12.636 4.437 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 81 15.404 5.548 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.219 3.249 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.287 3.384 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.544 2.652 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.719 4.719 -6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.016 4.205 -6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.421 5.932 -6.473 1.00 0.00 H new ATOM 1205 N TYR A 82 13.848 5.540 -1.784 1.00 0.00 N ATOM 1206 CA TYR A 82 13.823 5.323 -0.347 1.00 0.00 C ATOM 1207 C TYR A 82 12.912 6.339 0.345 1.00 0.00 C ATOM 1208 O TYR A 82 12.859 7.502 -0.051 1.00 0.00 O ATOM 1209 CB TYR A 82 15.260 5.533 0.135 1.00 0.00 C ATOM 1210 CG TYR A 82 16.136 4.282 0.043 1.00 0.00 C ATOM 1211 CD1 TYR A 82 16.112 3.346 1.057 1.00 0.00 C ATOM 1212 CD2 TYR A 82 16.951 4.089 -1.055 1.00 0.00 C ATOM 1213 CE1 TYR A 82 16.937 2.168 0.970 1.00 0.00 C ATOM 1214 CE2 TYR A 82 17.775 2.912 -1.142 1.00 0.00 C ATOM 1215 CZ TYR A 82 17.727 2.010 -0.125 1.00 0.00 C ATOM 1216 OH TYR A 82 18.506 0.898 -0.208 1.00 0.00 O ATOM 0 H TYR A 82 14.382 6.356 -2.083 1.00 0.00 H new ATOM 0 HA TYR A 82 13.445 4.327 -0.115 1.00 0.00 H new ATOM 0 HB2 TYR A 82 15.717 6.328 -0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 82 15.239 5.874 1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 82 15.475 3.497 1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 82 16.970 4.821 -1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 82 16.928 1.428 1.756 1.00 0.00 H new ATOM 0 HE2 TYR A 82 18.417 2.749 -1.995 1.00 0.00 H new ATOM 0 HH TYR A 82 19.016 0.918 -1.045 1.00 0.00 H new ATOM 1226 N SER A 83 12.218 5.862 1.368 1.00 0.00 N ATOM 1227 CA SER A 83 11.312 6.714 2.119 1.00 0.00 C ATOM 1228 C SER A 83 11.401 6.385 3.611 1.00 0.00 C ATOM 1229 O SER A 83 10.588 5.623 4.132 1.00 0.00 O ATOM 1230 CB SER A 83 9.872 6.558 1.626 1.00 0.00 C ATOM 1231 OG SER A 83 9.389 5.229 1.804 1.00 0.00 O ATOM 0 H SER A 83 12.265 4.897 1.694 1.00 0.00 H new ATOM 0 HA SER A 83 11.610 7.751 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.227 7.253 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.819 6.825 0.571 1.00 0.00 H new ATOM 0 HG SER A 83 9.647 4.903 2.692 1.00 0.00 H new ATOM 1237 N GLY A 84 12.395 6.976 4.257 1.00 0.00 N ATOM 1238 CA GLY A 84 12.601 6.756 5.678 1.00 0.00 C ATOM 1239 C GLY A 84 11.554 7.504 6.506 1.00 0.00 C ATOM 1240 O GLY A 84 10.965 8.477 6.036 1.00 0.00 O ATOM 0 H GLY A 84 13.067 7.608 3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.548 5.689 5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.599 7.090 5.960 1.00 0.00 H new ATOM 1244 N PRO A 85 11.349 7.010 7.756 1.00 0.00 N ATOM 1245 CA PRO A 85 10.384 7.621 8.654 1.00 0.00 C ATOM 1246 C PRO A 85 10.921 8.935 9.224 1.00 0.00 C ATOM 1247 O PRO A 85 12.088 9.020 9.605 1.00 0.00 O ATOM 1248 CB PRO A 85 10.122 6.573 9.723 1.00 0.00 C ATOM 1249 CG PRO A 85 11.288 5.601 9.648 1.00 0.00 C ATOM 1250 CD PRO A 85 12.028 5.860 8.346 1.00 0.00 C ATOM 0 HA PRO A 85 9.457 7.897 8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.057 7.030 10.710 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.176 6.062 9.546 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.954 5.738 10.500 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.930 4.572 9.686 1.00 0.00 H new ATOM 0 HD2 PRO A 85 13.082 6.072 8.525 1.00 0.00 H new ATOM 0 HD3 PRO A 85 11.984 4.993 7.687 1.00 0.00 H new ATOM 1258 N SER A 86 10.044 9.928 9.265 1.00 0.00 N ATOM 1259 CA SER A 86 10.416 11.234 9.783 1.00 0.00 C ATOM 1260 C SER A 86 9.215 11.884 10.473 1.00 0.00 C ATOM 1261 O SER A 86 8.164 12.063 9.860 1.00 0.00 O ATOM 1262 CB SER A 86 10.941 12.139 8.667 1.00 0.00 C ATOM 1263 OG SER A 86 11.031 13.500 9.081 1.00 0.00 O ATOM 0 H SER A 86 9.077 9.854 8.948 1.00 0.00 H new ATOM 0 HA SER A 86 11.216 11.099 10.511 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.924 11.791 8.350 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.283 12.066 7.801 1.00 0.00 H new ATOM 0 HG SER A 86 11.371 14.045 8.341 1.00 0.00 H new ATOM 1269 N SER A 87 9.412 12.220 11.740 1.00 0.00 N ATOM 1270 CA SER A 87 8.358 12.846 12.520 1.00 0.00 C ATOM 1271 C SER A 87 8.956 13.537 13.747 1.00 0.00 C ATOM 1272 O SER A 87 9.355 12.875 14.704 1.00 0.00 O ATOM 1273 CB SER A 87 7.306 11.822 12.948 1.00 0.00 C ATOM 1274 OG SER A 87 6.078 11.993 12.246 1.00 0.00 O ATOM 0 H SER A 87 10.285 12.070 12.245 1.00 0.00 H new ATOM 0 HA SER A 87 7.866 13.591 11.894 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.687 10.816 12.772 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.127 11.913 14.019 1.00 0.00 H new ATOM 0 HG SER A 87 6.257 12.061 11.285 1.00 0.00 H new ATOM 1280 N GLY A 88 9.000 14.860 13.680 1.00 0.00 N ATOM 1281 CA GLY A 88 9.542 15.647 14.774 1.00 0.00 C ATOM 1282 C GLY A 88 8.779 16.964 14.933 1.00 0.00 C ATOM 1283 O GLY A 88 7.644 17.087 14.474 1.00 0.00 O ATOM 0 H GLY A 88 8.669 15.406 12.885 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.485 15.076 15.701 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.596 15.853 14.591 1.00 0.00 H new TER 1287 GLY A 88