USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 989 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 93 LYS NZ :NH3+ 141:sc= 1.17 (180deg=-0.446) USER MOD Set 1.2: A 124 GLN : amide:sc= 2.12 K(o=3.3,f=-4.9!) USER MOD Set 2.1: A 83 THR OG1 : rot -71:sc= 0.719 USER MOD Set 2.2: A 86 GLN : amide:sc= 1.12 K(o=1.8,f=-8.3!) USER MOD Set 3.1: A 46 THR OG1 : rot 142:sc= 0.264 USER MOD Set 3.2: A 115 GLN : amide:sc= -1.66 K(o=-1.4,f=-7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.367 USER MOD Single : A 3 SER OG : rot 19:sc= 0.659 USER MOD Single : A 5 SER OG : rot -57:sc= 0.177 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -123:sc= -0.815 (180deg=-4.79!) USER MOD Single : A 13 GLN : amide:sc= -0.238 K(o=-0.24,f=-2.9!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -3:sc= 0.414 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 35 SER OG : rot -170:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= -0.162 X(o=-0.16,f=-0.052) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -169:sc=-0.00671 (180deg=-0.191) USER MOD Single : A 63 HIS : no HD1:sc= -0.725 K(o=-0.72,f=-0.06) USER MOD Single : A 67 ASN : amide:sc= -5.62! C(o=-5.6!,f=-19!) USER MOD Single : A 68 TYR OH : rot -115:sc= 0.461 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= 0.0653 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.79! C(o=-2.8!,f=-2.4!) USER MOD Single : A 79 SER OG : rot 76:sc= 1.25 USER MOD Single : A 81 GLN : amide:sc= -0.0205 K(o=-0.021,f=-1.7) USER MOD Single : A 87 CYS SG : rot -35:sc= -0.663 USER MOD Single : A 89 THR OG1 : rot 74:sc= 0.65 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc=-0.00327 K(o=-0.0033,f=-1.9!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 141:sc= -0.286 (180deg=-1.3) USER MOD Single : A 108 HIS : no HD1:sc= -0.881 X(o=-0.88,f=-0.92) USER MOD Single : A 116 GLN : amide:sc= -0.42 K(o=-0.42,f=-1.1) USER MOD Single : A 117 ASN : amide:sc= 0.427 K(o=0.43,f=-0.086) USER MOD Single : A 120 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.098) USER MOD Single : A 123 SER OG : rot -131:sc= -0.654 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.659 27.213 -3.320 1.00 0.00 N ATOM 2 CA GLY A 1 -25.993 26.092 -3.957 1.00 0.00 C ATOM 3 C GLY A 1 -24.511 26.043 -3.643 1.00 0.00 C ATOM 4 O GLY A 1 -23.676 26.277 -4.516 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.669 27.202 -3.566 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.553 27.139 -2.288 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.233 28.103 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.461 25.163 -3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.131 26.157 -5.036 1.00 0.00 H new ATOM 8 N SER A 2 -24.184 25.739 -2.391 1.00 0.00 N ATOM 9 CA SER A 2 -22.792 25.666 -1.962 1.00 0.00 C ATOM 10 C SER A 2 -22.623 24.649 -0.837 1.00 0.00 C ATOM 11 O SER A 2 -23.251 24.761 0.216 1.00 0.00 O ATOM 12 CB SER A 2 -22.306 27.040 -1.499 1.00 0.00 C ATOM 13 OG SER A 2 -23.103 27.532 -0.435 1.00 0.00 O ATOM 0 H SER A 2 -24.863 25.539 -1.657 1.00 0.00 H new ATOM 0 HA SER A 2 -22.192 25.344 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.267 26.972 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.336 27.740 -2.334 1.00 0.00 H new ATOM 0 HG SER A 2 -23.408 26.783 0.118 1.00 0.00 H new ATOM 19 N SER A 3 -21.771 23.656 -1.068 1.00 0.00 N ATOM 20 CA SER A 3 -21.522 22.616 -0.077 1.00 0.00 C ATOM 21 C SER A 3 -20.157 21.970 -0.298 1.00 0.00 C ATOM 22 O SER A 3 -19.897 21.387 -1.350 1.00 0.00 O ATOM 23 CB SER A 3 -22.618 21.551 -0.137 1.00 0.00 C ATOM 24 OG SER A 3 -23.807 22.007 0.485 1.00 0.00 O ATOM 0 H SER A 3 -21.241 23.550 -1.933 1.00 0.00 H new ATOM 0 HA SER A 3 -21.530 23.080 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.823 21.294 -1.176 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.273 20.641 0.354 1.00 0.00 H new ATOM 0 HG SER A 3 -23.785 22.984 0.555 1.00 0.00 H new ATOM 30 N GLY A 4 -19.288 22.078 0.702 1.00 0.00 N ATOM 31 CA GLY A 4 -17.961 21.501 0.598 1.00 0.00 C ATOM 32 C GLY A 4 -16.911 22.526 0.217 1.00 0.00 C ATOM 33 O GLY A 4 -16.445 22.553 -0.921 1.00 0.00 O ATOM 0 H GLY A 4 -19.480 22.555 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.691 21.045 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.972 20.704 -0.145 1.00 0.00 H new ATOM 37 N SER A 5 -16.540 23.373 1.172 1.00 0.00 N ATOM 38 CA SER A 5 -15.542 24.409 0.929 1.00 0.00 C ATOM 39 C SER A 5 -14.379 24.284 1.908 1.00 0.00 C ATOM 40 O SER A 5 -13.898 25.279 2.448 1.00 0.00 O ATOM 41 CB SER A 5 -16.177 25.796 1.048 1.00 0.00 C ATOM 42 OG SER A 5 -15.318 26.796 0.529 1.00 0.00 O ATOM 0 H SER A 5 -16.915 23.362 2.121 1.00 0.00 H new ATOM 0 HA SER A 5 -15.158 24.278 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.126 25.812 0.511 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.399 26.009 2.094 1.00 0.00 H new ATOM 0 HG SER A 5 -14.460 26.768 1.002 1.00 0.00 H new ATOM 48 N SER A 6 -13.932 23.052 2.132 1.00 0.00 N ATOM 49 CA SER A 6 -12.828 22.794 3.049 1.00 0.00 C ATOM 50 C SER A 6 -11.507 23.276 2.458 1.00 0.00 C ATOM 51 O SER A 6 -11.355 23.365 1.240 1.00 0.00 O ATOM 52 CB SER A 6 -12.742 21.300 3.370 1.00 0.00 C ATOM 53 OG SER A 6 -13.906 20.856 4.046 1.00 0.00 O ATOM 0 H SER A 6 -14.318 22.217 1.691 1.00 0.00 H new ATOM 0 HA SER A 6 -13.017 23.346 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.615 20.733 2.448 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.864 21.107 3.986 1.00 0.00 H new ATOM 0 HG SER A 6 -13.827 19.898 4.238 1.00 0.00 H new ATOM 59 N GLY A 7 -10.553 23.585 3.330 1.00 0.00 N ATOM 60 CA GLY A 7 -9.257 24.054 2.877 1.00 0.00 C ATOM 61 C GLY A 7 -8.198 22.970 2.925 1.00 0.00 C ATOM 62 O GLY A 7 -7.353 22.957 3.819 1.00 0.00 O ATOM 0 H GLY A 7 -10.655 23.519 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.345 24.426 1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.941 24.894 3.496 1.00 0.00 H new ATOM 66 N MET A 8 -8.245 22.057 1.960 1.00 0.00 N ATOM 67 CA MET A 8 -7.283 20.963 1.896 1.00 0.00 C ATOM 68 C MET A 8 -6.203 21.249 0.858 1.00 0.00 C ATOM 69 O MET A 8 -6.390 22.076 -0.034 1.00 0.00 O ATOM 70 CB MET A 8 -7.993 19.650 1.562 1.00 0.00 C ATOM 71 CG MET A 8 -7.163 18.414 1.872 1.00 0.00 C ATOM 72 SD MET A 8 -6.571 18.385 3.575 1.00 0.00 S ATOM 73 CE MET A 8 -6.125 16.659 3.749 1.00 0.00 C ATOM 0 H MET A 8 -8.939 22.053 1.212 1.00 0.00 H new ATOM 0 HA MET A 8 -6.808 20.872 2.873 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.928 19.600 2.121 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.254 19.646 0.504 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.761 17.523 1.684 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.310 18.374 1.194 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.671 16.225 4.586 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.378 16.124 2.834 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.054 16.577 3.933 1.00 0.00 H new ATOM 83 N ALA A 9 -5.073 20.560 0.980 1.00 0.00 N ATOM 84 CA ALA A 9 -3.964 20.739 0.051 1.00 0.00 C ATOM 85 C ALA A 9 -4.421 20.551 -1.391 1.00 0.00 C ATOM 86 O ALA A 9 -5.519 20.056 -1.644 1.00 0.00 O ATOM 87 CB ALA A 9 -2.838 19.771 0.381 1.00 0.00 C ATOM 0 H ALA A 9 -4.902 19.872 1.714 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.594 21.759 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.016 19.916 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.485 19.955 1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.204 18.747 0.305 1.00 0.00 H new ATOM 93 N GLU A 10 -3.571 20.949 -2.333 1.00 0.00 N ATOM 94 CA GLU A 10 -3.890 20.824 -3.751 1.00 0.00 C ATOM 95 C GLU A 10 -3.846 19.364 -4.192 1.00 0.00 C ATOM 96 O GLU A 10 -4.835 18.801 -4.662 1.00 0.00 O ATOM 97 CB GLU A 10 -2.914 21.652 -4.590 1.00 0.00 C ATOM 98 CG GLU A 10 -3.421 23.048 -4.911 1.00 0.00 C ATOM 99 CD GLU A 10 -2.792 23.623 -6.166 1.00 0.00 C ATOM 100 OE1 GLU A 10 -3.347 23.403 -7.262 1.00 0.00 O ATOM 101 OE2 GLU A 10 -1.744 24.292 -6.050 1.00 0.00 O ATOM 0 H GLU A 10 -2.658 21.360 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.901 21.201 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.967 21.732 -4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.711 21.125 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.504 23.018 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.213 23.709 -4.069 1.00 0.00 H new ATOM 108 N PRO A 11 -2.671 18.736 -4.039 1.00 0.00 N ATOM 109 CA PRO A 11 -2.468 17.333 -4.416 1.00 0.00 C ATOM 110 C PRO A 11 -3.214 16.373 -3.495 1.00 0.00 C ATOM 111 O PRO A 11 -3.948 15.499 -3.957 1.00 0.00 O ATOM 112 CB PRO A 11 -0.956 17.143 -4.275 1.00 0.00 C ATOM 113 CG PRO A 11 -0.536 18.169 -3.279 1.00 0.00 C ATOM 114 CD PRO A 11 -1.450 19.345 -3.486 1.00 0.00 C ATOM 0 HA PRO A 11 -2.846 17.120 -5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.714 16.137 -3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.448 17.286 -5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.620 17.784 -2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.506 18.453 -3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.650 19.868 -2.551 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.018 20.073 -4.172 1.00 0.00 H new ATOM 122 N VAL A 12 -3.021 16.541 -2.191 1.00 0.00 N ATOM 123 CA VAL A 12 -3.677 15.689 -1.206 1.00 0.00 C ATOM 124 C VAL A 12 -5.132 15.433 -1.581 1.00 0.00 C ATOM 125 O VAL A 12 -5.586 14.290 -1.600 1.00 0.00 O ATOM 126 CB VAL A 12 -3.624 16.315 0.201 1.00 0.00 C ATOM 127 CG1 VAL A 12 -4.187 15.352 1.235 1.00 0.00 C ATOM 128 CG2 VAL A 12 -2.198 16.714 0.552 1.00 0.00 C ATOM 0 H VAL A 12 -2.416 17.259 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.136 14.743 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.240 17.214 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.141 15.811 2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.224 15.120 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.600 14.434 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.178 17.154 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.558 15.832 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.835 17.442 -0.174 1.00 0.00 H new ATOM 138 N GLN A 13 -5.857 16.506 -1.881 1.00 0.00 N ATOM 139 CA GLN A 13 -7.262 16.397 -2.256 1.00 0.00 C ATOM 140 C GLN A 13 -7.420 15.599 -3.546 1.00 0.00 C ATOM 141 O GLN A 13 -8.211 14.659 -3.611 1.00 0.00 O ATOM 142 CB GLN A 13 -7.876 17.788 -2.425 1.00 0.00 C ATOM 143 CG GLN A 13 -9.299 17.765 -2.960 1.00 0.00 C ATOM 144 CD GLN A 13 -10.300 17.274 -1.933 1.00 0.00 C ATOM 145 OE1 GLN A 13 -9.926 16.809 -0.856 1.00 0.00 O ATOM 146 NE2 GLN A 13 -11.583 17.376 -2.261 1.00 0.00 N ATOM 0 H GLN A 13 -5.495 17.460 -1.872 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.786 15.871 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.867 18.299 -1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.252 18.372 -3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.578 18.768 -3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.342 17.123 -3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.849 17.768 -3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.302 17.063 -1.609 1.00 0.00 H new ATOM 155 N GLU A 14 -6.664 15.982 -4.570 1.00 0.00 N ATOM 156 CA GLU A 14 -6.722 15.302 -5.858 1.00 0.00 C ATOM 157 C GLU A 14 -6.656 13.788 -5.678 1.00 0.00 C ATOM 158 O GLU A 14 -7.549 13.062 -6.114 1.00 0.00 O ATOM 159 CB GLU A 14 -5.577 15.769 -6.759 1.00 0.00 C ATOM 160 CG GLU A 14 -5.930 16.972 -7.618 1.00 0.00 C ATOM 161 CD GLU A 14 -4.726 17.552 -8.333 1.00 0.00 C ATOM 162 OE1 GLU A 14 -4.427 17.095 -9.457 1.00 0.00 O ATOM 163 OE2 GLU A 14 -4.082 18.462 -7.770 1.00 0.00 O ATOM 0 H GLU A 14 -6.005 16.759 -4.532 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.672 15.554 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.716 16.016 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.277 14.946 -7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.679 16.681 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.381 17.741 -6.991 1.00 0.00 H new ATOM 170 N GLU A 15 -5.592 13.320 -5.033 1.00 0.00 N ATOM 171 CA GLU A 15 -5.409 11.893 -4.797 1.00 0.00 C ATOM 172 C GLU A 15 -6.612 11.304 -4.066 1.00 0.00 C ATOM 173 O GLU A 15 -7.279 10.401 -4.572 1.00 0.00 O ATOM 174 CB GLU A 15 -4.135 11.647 -3.985 1.00 0.00 C ATOM 175 CG GLU A 15 -3.644 10.210 -4.043 1.00 0.00 C ATOM 176 CD GLU A 15 -2.387 9.990 -3.224 1.00 0.00 C ATOM 177 OE1 GLU A 15 -2.500 9.841 -1.990 1.00 0.00 O ATOM 178 OE2 GLU A 15 -1.289 9.967 -3.820 1.00 0.00 O ATOM 0 H GLU A 15 -4.844 13.908 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.316 11.400 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.348 12.306 -4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.319 11.917 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.430 9.547 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.450 9.938 -5.080 1.00 0.00 H new ATOM 185 N LEU A 16 -6.883 11.821 -2.873 1.00 0.00 N ATOM 186 CA LEU A 16 -8.006 11.347 -2.071 1.00 0.00 C ATOM 187 C LEU A 16 -9.177 10.940 -2.960 1.00 0.00 C ATOM 188 O LEU A 16 -9.925 10.018 -2.634 1.00 0.00 O ATOM 189 CB LEU A 16 -8.450 12.432 -1.088 1.00 0.00 C ATOM 190 CG LEU A 16 -7.569 12.620 0.147 1.00 0.00 C ATOM 191 CD1 LEU A 16 -7.996 13.856 0.924 1.00 0.00 C ATOM 192 CD2 LEU A 16 -7.624 11.385 1.035 1.00 0.00 C ATOM 0 H LEU A 16 -6.341 12.568 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.677 10.471 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.499 13.381 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.462 12.201 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.540 12.760 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.358 13.974 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.904 14.736 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.032 13.745 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.991 11.537 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.651 11.213 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.269 10.519 0.476 1.00 0.00 H new ATOM 204 N SER A 17 -9.328 11.631 -4.085 1.00 0.00 N ATOM 205 CA SER A 17 -10.408 11.343 -5.020 1.00 0.00 C ATOM 206 C SER A 17 -10.009 10.230 -5.984 1.00 0.00 C ATOM 207 O SER A 17 -10.707 9.223 -6.111 1.00 0.00 O ATOM 208 CB SER A 17 -10.782 12.602 -5.804 1.00 0.00 C ATOM 209 OG SER A 17 -11.890 12.363 -6.655 1.00 0.00 O ATOM 0 H SER A 17 -8.715 12.395 -4.371 1.00 0.00 H new ATOM 0 HA SER A 17 -11.273 11.011 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.019 13.409 -5.111 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.929 12.932 -6.397 1.00 0.00 H new ATOM 0 HG SER A 17 -12.110 13.183 -7.144 1.00 0.00 H new ATOM 215 N VAL A 18 -8.881 10.418 -6.661 1.00 0.00 N ATOM 216 CA VAL A 18 -8.387 9.430 -7.613 1.00 0.00 C ATOM 217 C VAL A 18 -8.337 8.041 -6.988 1.00 0.00 C ATOM 218 O VAL A 18 -8.645 7.042 -7.641 1.00 0.00 O ATOM 219 CB VAL A 18 -6.983 9.800 -8.128 1.00 0.00 C ATOM 220 CG1 VAL A 18 -6.846 11.308 -8.270 1.00 0.00 C ATOM 221 CG2 VAL A 18 -5.913 9.244 -7.200 1.00 0.00 C ATOM 0 H VAL A 18 -8.292 11.245 -6.568 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.084 9.423 -8.451 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.846 9.353 -9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.848 11.550 -8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.590 11.676 -8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.002 11.780 -7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.927 9.514 -7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.045 9.660 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.999 8.158 -7.155 1.00 0.00 H new ATOM 231 N LEU A 19 -7.949 7.983 -5.719 1.00 0.00 N ATOM 232 CA LEU A 19 -7.860 6.715 -5.003 1.00 0.00 C ATOM 233 C LEU A 19 -9.242 6.099 -4.812 1.00 0.00 C ATOM 234 O LEU A 19 -9.497 4.976 -5.247 1.00 0.00 O ATOM 235 CB LEU A 19 -7.188 6.920 -3.644 1.00 0.00 C ATOM 236 CG LEU A 19 -5.666 6.777 -3.620 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.113 7.184 -2.263 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.258 5.351 -3.957 1.00 0.00 C ATOM 0 H LEU A 19 -7.691 8.799 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.257 6.031 -5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.445 7.915 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.611 6.204 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.247 7.442 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.028 7.076 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.374 8.223 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.540 6.546 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.171 5.269 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.689 4.667 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.621 5.094 -4.952 1.00 0.00 H new ATOM 250 N ALA A 20 -10.130 6.842 -4.161 1.00 0.00 N ATOM 251 CA ALA A 20 -11.488 6.370 -3.916 1.00 0.00 C ATOM 252 C ALA A 20 -12.163 5.943 -5.215 1.00 0.00 C ATOM 253 O ALA A 20 -12.999 5.040 -5.223 1.00 0.00 O ATOM 254 CB ALA A 20 -12.305 7.452 -3.225 1.00 0.00 C ATOM 0 H ALA A 20 -9.934 7.773 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.432 5.499 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.317 7.087 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.840 7.707 -2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.345 8.338 -3.858 1.00 0.00 H new ATOM 260 N ALA A 21 -11.795 6.598 -6.311 1.00 0.00 N ATOM 261 CA ALA A 21 -12.365 6.284 -7.616 1.00 0.00 C ATOM 262 C ALA A 21 -11.967 4.883 -8.065 1.00 0.00 C ATOM 263 O ALA A 21 -12.805 4.109 -8.530 1.00 0.00 O ATOM 264 CB ALA A 21 -11.925 7.315 -8.645 1.00 0.00 C ATOM 0 H ALA A 21 -11.105 7.349 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.451 6.314 -7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.358 7.069 -9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.264 8.304 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.838 7.312 -8.721 1.00 0.00 H new ATOM 270 N ILE A 22 -10.686 4.562 -7.924 1.00 0.00 N ATOM 271 CA ILE A 22 -10.178 3.253 -8.316 1.00 0.00 C ATOM 272 C ILE A 22 -11.054 2.135 -7.759 1.00 0.00 C ATOM 273 O ILE A 22 -11.524 1.272 -8.500 1.00 0.00 O ATOM 274 CB ILE A 22 -8.730 3.043 -7.836 1.00 0.00 C ATOM 275 CG1 ILE A 22 -7.814 4.119 -8.424 1.00 0.00 C ATOM 276 CG2 ILE A 22 -8.240 1.655 -8.220 1.00 0.00 C ATOM 277 CD1 ILE A 22 -6.638 4.462 -7.536 1.00 0.00 C ATOM 0 H ILE A 22 -9.980 5.191 -7.541 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.198 3.220 -9.405 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.707 3.127 -6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.442 3.780 -9.391 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.397 5.022 -8.606 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.215 1.522 -7.874 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.879 0.903 -7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.274 1.544 -9.304 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.032 5.231 -8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.002 4.832 -6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.032 3.571 -7.375 1.00 0.00 H new ATOM 289 N PHE A 23 -11.269 2.158 -6.447 1.00 0.00 N ATOM 290 CA PHE A 23 -12.089 1.147 -5.790 1.00 0.00 C ATOM 291 C PHE A 23 -13.574 1.448 -5.972 1.00 0.00 C ATOM 292 O PHE A 23 -14.397 0.535 -6.059 1.00 0.00 O ATOM 293 CB PHE A 23 -11.750 1.076 -4.300 1.00 0.00 C ATOM 294 CG PHE A 23 -10.291 0.848 -4.026 1.00 0.00 C ATOM 295 CD1 PHE A 23 -9.391 1.900 -4.072 1.00 0.00 C ATOM 296 CD2 PHE A 23 -9.819 -0.419 -3.723 1.00 0.00 C ATOM 297 CE1 PHE A 23 -8.048 1.693 -3.822 1.00 0.00 C ATOM 298 CE2 PHE A 23 -8.477 -0.633 -3.472 1.00 0.00 C ATOM 299 CZ PHE A 23 -7.590 0.425 -3.520 1.00 0.00 C ATOM 0 H PHE A 23 -10.887 2.865 -5.819 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.873 0.183 -6.251 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -12.060 2.004 -3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.327 0.272 -3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -9.743 2.894 -4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.508 -1.249 -3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.357 2.522 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.122 -1.626 -3.239 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.541 0.261 -3.322 1.00 0.00 H new ATOM 309 N CYS A 24 -13.908 2.732 -6.029 1.00 0.00 N ATOM 310 CA CYS A 24 -15.294 3.154 -6.199 1.00 0.00 C ATOM 311 C CYS A 24 -16.236 2.265 -5.395 1.00 0.00 C ATOM 312 O CYS A 24 -17.342 1.954 -5.838 1.00 0.00 O ATOM 313 CB CYS A 24 -15.680 3.121 -7.679 1.00 0.00 C ATOM 314 SG CYS A 24 -15.722 1.461 -8.394 1.00 0.00 S ATOM 0 H CYS A 24 -13.239 3.499 -5.960 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.385 4.175 -5.829 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -16.661 3.581 -7.798 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -14.972 3.730 -8.242 1.00 0.00 H new ATOM 0 HG CYS A 24 -15.336 0.595 -7.504 1.00 0.00 H new ATOM 320 N ARG A 25 -15.790 1.858 -4.211 1.00 0.00 N ATOM 321 CA ARG A 25 -16.592 1.001 -3.346 1.00 0.00 C ATOM 322 C ARG A 25 -16.470 1.435 -1.888 1.00 0.00 C ATOM 323 O ARG A 25 -15.387 1.754 -1.398 1.00 0.00 O ATOM 324 CB ARG A 25 -16.159 -0.458 -3.493 1.00 0.00 C ATOM 325 CG ARG A 25 -16.656 -1.115 -4.771 1.00 0.00 C ATOM 326 CD ARG A 25 -18.012 -1.773 -4.568 1.00 0.00 C ATOM 327 NE ARG A 25 -18.425 -2.546 -5.736 1.00 0.00 N ATOM 328 CZ ARG A 25 -19.291 -3.552 -5.682 1.00 0.00 C ATOM 329 NH1 ARG A 25 -19.833 -3.904 -4.524 1.00 0.00 N ATOM 330 NH2 ARG A 25 -19.617 -4.209 -6.788 1.00 0.00 N ATOM 0 H ARG A 25 -14.878 2.108 -3.829 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.635 1.095 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.071 -0.509 -3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.525 -1.025 -2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -16.728 -0.368 -5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.934 -1.861 -5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.971 -2.427 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -18.759 -1.007 -4.357 1.00 0.00 H new ATOM 0 HE ARG A 25 -18.027 -2.300 -6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -19.585 -3.402 -3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.498 -4.677 -4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -19.203 -3.942 -7.681 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -20.282 -4.981 -6.745 1.00 0.00 H new ATOM 344 N PRO A 26 -17.608 1.446 -1.177 1.00 0.00 N ATOM 345 CA PRO A 26 -17.654 1.839 0.235 1.00 0.00 C ATOM 346 C PRO A 26 -16.982 0.815 1.143 1.00 0.00 C ATOM 347 O PRO A 26 -16.495 1.153 2.223 1.00 0.00 O ATOM 348 CB PRO A 26 -19.154 1.914 0.533 1.00 0.00 C ATOM 349 CG PRO A 26 -19.783 0.995 -0.457 1.00 0.00 C ATOM 350 CD PRO A 26 -18.935 1.078 -1.696 1.00 0.00 C ATOM 0 HA PRO A 26 -17.122 2.773 0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -19.371 1.603 1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -19.529 2.931 0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -19.817 -0.025 -0.075 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -20.811 1.292 -0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -18.909 0.128 -2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -19.315 1.824 -2.394 1.00 0.00 H new ATOM 358 N HIS A 27 -16.958 -0.438 0.700 1.00 0.00 N ATOM 359 CA HIS A 27 -16.343 -1.511 1.473 1.00 0.00 C ATOM 360 C HIS A 27 -14.831 -1.527 1.273 1.00 0.00 C ATOM 361 O HIS A 27 -14.073 -1.744 2.218 1.00 0.00 O ATOM 362 CB HIS A 27 -16.937 -2.862 1.072 1.00 0.00 C ATOM 363 CG HIS A 27 -18.162 -3.232 1.851 1.00 0.00 C ATOM 364 ND1 HIS A 27 -18.472 -4.532 2.191 1.00 0.00 N ATOM 365 CD2 HIS A 27 -19.155 -2.465 2.357 1.00 0.00 C ATOM 366 CE1 HIS A 27 -19.604 -4.548 2.872 1.00 0.00 C ATOM 367 NE2 HIS A 27 -20.039 -3.306 2.987 1.00 0.00 N ATOM 0 H HIS A 27 -17.357 -0.735 -0.190 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.550 -1.330 2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.184 -2.840 0.011 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.182 -3.636 1.208 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -19.237 -1.391 2.280 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.091 -5.427 3.267 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -20.893 -3.019 3.466 1.00 0.00 H new ATOM 376 N GLU A 28 -14.399 -1.297 0.037 1.00 0.00 N ATOM 377 CA GLU A 28 -12.977 -1.287 -0.286 1.00 0.00 C ATOM 378 C GLU A 28 -12.308 -0.021 0.242 1.00 0.00 C ATOM 379 O GLU A 28 -11.212 -0.072 0.798 1.00 0.00 O ATOM 380 CB GLU A 28 -12.774 -1.392 -1.799 1.00 0.00 C ATOM 381 CG GLU A 28 -13.082 -2.771 -2.360 1.00 0.00 C ATOM 382 CD GLU A 28 -12.299 -3.074 -3.622 1.00 0.00 C ATOM 383 OE1 GLU A 28 -11.106 -3.426 -3.510 1.00 0.00 O ATOM 384 OE2 GLU A 28 -12.879 -2.961 -4.722 1.00 0.00 O ATOM 0 H GLU A 28 -15.013 -1.115 -0.757 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.515 -2.149 0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.409 -0.657 -2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.742 -1.134 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.855 -3.525 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.149 -2.843 -2.572 1.00 0.00 H new ATOM 391 N TRP A 29 -12.976 1.112 0.061 1.00 0.00 N ATOM 392 CA TRP A 29 -12.447 2.392 0.518 1.00 0.00 C ATOM 393 C TRP A 29 -13.059 2.788 1.857 1.00 0.00 C ATOM 394 O TRP A 29 -14.244 3.113 1.935 1.00 0.00 O ATOM 395 CB TRP A 29 -12.718 3.480 -0.522 1.00 0.00 C ATOM 396 CG TRP A 29 -12.301 4.848 -0.074 1.00 0.00 C ATOM 397 CD1 TRP A 29 -13.119 5.860 0.341 1.00 0.00 C ATOM 398 CD2 TRP A 29 -10.964 5.354 0.003 1.00 0.00 C ATOM 399 NE1 TRP A 29 -12.372 6.964 0.671 1.00 0.00 N ATOM 400 CE2 TRP A 29 -11.046 6.680 0.473 1.00 0.00 C ATOM 401 CE3 TRP A 29 -9.705 4.816 -0.278 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -9.918 7.472 0.666 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -8.586 5.604 -0.086 1.00 0.00 C ATOM 404 CH2 TRP A 29 -8.698 6.920 0.383 1.00 0.00 C ATOM 0 H TRP A 29 -13.885 1.171 -0.399 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.370 2.285 0.650 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.191 3.231 -1.443 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.782 3.491 -0.757 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -14.196 5.801 0.401 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.744 7.852 1.009 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -9.608 3.803 -0.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -10.002 8.487 1.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.608 5.199 -0.301 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.804 7.510 0.524 1.00 0.00 H new ATOM 415 N GLU A 30 -12.245 2.759 2.907 1.00 0.00 N ATOM 416 CA GLU A 30 -12.709 3.114 4.243 1.00 0.00 C ATOM 417 C GLU A 30 -11.700 4.016 4.948 1.00 0.00 C ATOM 418 O GLU A 30 -10.528 3.664 5.088 1.00 0.00 O ATOM 419 CB GLU A 30 -12.952 1.854 5.076 1.00 0.00 C ATOM 420 CG GLU A 30 -13.873 2.076 6.263 1.00 0.00 C ATOM 421 CD GLU A 30 -15.332 1.847 5.921 1.00 0.00 C ATOM 422 OE1 GLU A 30 -15.935 2.727 5.272 1.00 0.00 O ATOM 423 OE2 GLU A 30 -15.871 0.787 6.302 1.00 0.00 O ATOM 0 H GLU A 30 -11.261 2.493 2.859 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.648 3.658 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.379 1.082 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.995 1.476 5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.584 1.406 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.746 3.094 6.631 1.00 0.00 H new ATOM 430 N VAL A 31 -12.163 5.181 5.389 1.00 0.00 N ATOM 431 CA VAL A 31 -11.302 6.134 6.080 1.00 0.00 C ATOM 432 C VAL A 31 -11.593 6.153 7.576 1.00 0.00 C ATOM 433 O VAL A 31 -12.521 6.824 8.031 1.00 0.00 O ATOM 434 CB VAL A 31 -11.473 7.557 5.516 1.00 0.00 C ATOM 435 CG1 VAL A 31 -12.946 7.933 5.455 1.00 0.00 C ATOM 436 CG2 VAL A 31 -10.693 8.559 6.353 1.00 0.00 C ATOM 0 H VAL A 31 -13.130 5.488 5.280 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.275 5.808 5.917 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.075 7.578 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.048 8.941 5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.474 7.231 4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.373 7.896 6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.825 9.559 5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.059 8.539 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.635 8.298 6.340 1.00 0.00 H new ATOM 446 N LEU A 32 -10.795 5.414 8.338 1.00 0.00 N ATOM 447 CA LEU A 32 -10.966 5.346 9.786 1.00 0.00 C ATOM 448 C LEU A 32 -11.207 6.734 10.371 1.00 0.00 C ATOM 449 O LEU A 32 -12.191 6.960 11.074 1.00 0.00 O ATOM 450 CB LEU A 32 -9.735 4.713 10.436 1.00 0.00 C ATOM 451 CG LEU A 32 -9.227 3.421 9.794 1.00 0.00 C ATOM 452 CD1 LEU A 32 -7.987 2.918 10.516 1.00 0.00 C ATOM 453 CD2 LEU A 32 -10.317 2.359 9.799 1.00 0.00 C ATOM 0 H LEU A 32 -10.023 4.853 7.978 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.838 4.727 9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.926 5.444 10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.965 4.510 11.482 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.959 3.633 8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.640 1.998 10.045 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.202 3.673 10.460 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.229 2.722 11.561 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.938 1.447 9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.616 2.150 10.826 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.178 2.719 9.236 1.00 0.00 H new ATOM 465 N SER A 33 -10.301 7.661 10.074 1.00 0.00 N ATOM 466 CA SER A 33 -10.414 9.027 10.572 1.00 0.00 C ATOM 467 C SER A 33 -9.724 10.008 9.629 1.00 0.00 C ATOM 468 O SER A 33 -8.592 9.781 9.200 1.00 0.00 O ATOM 469 CB SER A 33 -9.807 9.134 11.972 1.00 0.00 C ATOM 470 OG SER A 33 -10.513 8.326 12.898 1.00 0.00 O ATOM 0 H SER A 33 -9.481 7.491 9.491 1.00 0.00 H new ATOM 0 HA SER A 33 -11.472 9.283 10.623 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.761 8.829 11.942 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.827 10.173 12.302 1.00 0.00 H new ATOM 0 HG SER A 33 -10.104 8.411 13.785 1.00 0.00 H new ATOM 476 N ARG A 34 -10.414 11.098 9.312 1.00 0.00 N ATOM 477 CA ARG A 34 -9.869 12.114 8.419 1.00 0.00 C ATOM 478 C ARG A 34 -9.840 13.479 9.101 1.00 0.00 C ATOM 479 O ARG A 34 -10.874 13.994 9.525 1.00 0.00 O ATOM 480 CB ARG A 34 -10.696 12.191 7.134 1.00 0.00 C ATOM 481 CG ARG A 34 -12.146 12.583 7.366 1.00 0.00 C ATOM 482 CD ARG A 34 -13.062 11.973 6.317 1.00 0.00 C ATOM 483 NE ARG A 34 -14.413 12.523 6.384 1.00 0.00 N ATOM 484 CZ ARG A 34 -14.773 13.662 5.801 1.00 0.00 C ATOM 485 NH1 ARG A 34 -13.886 14.366 5.112 1.00 0.00 N ATOM 486 NH2 ARG A 34 -16.022 14.097 5.907 1.00 0.00 N ATOM 0 H ARG A 34 -11.351 11.301 9.660 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.847 11.831 8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -10.237 12.913 6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -10.666 11.223 6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.458 12.256 8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.239 13.669 7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.647 12.151 5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.103 10.893 6.456 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.119 12.005 6.907 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.925 14.034 5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.164 15.240 4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.707 13.557 6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.297 14.971 5.459 1.00 0.00 H new ATOM 500 N SER A 35 -8.648 14.058 9.203 1.00 0.00 N ATOM 501 CA SER A 35 -8.484 15.361 9.838 1.00 0.00 C ATOM 502 C SER A 35 -7.951 16.387 8.842 1.00 0.00 C ATOM 503 O SER A 35 -7.443 16.030 7.780 1.00 0.00 O ATOM 504 CB SER A 35 -7.535 15.253 11.033 1.00 0.00 C ATOM 505 OG SER A 35 -8.237 14.895 12.211 1.00 0.00 O ATOM 0 H SER A 35 -7.782 13.646 8.855 1.00 0.00 H new ATOM 0 HA SER A 35 -9.461 15.693 10.188 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.766 14.510 10.824 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.026 16.205 11.184 1.00 0.00 H new ATOM 0 HG SER A 35 -7.644 14.986 12.986 1.00 0.00 H new ATOM 511 N GLU A 36 -8.071 17.663 9.195 1.00 0.00 N ATOM 512 CA GLU A 36 -7.603 18.741 8.332 1.00 0.00 C ATOM 513 C GLU A 36 -6.106 18.975 8.518 1.00 0.00 C ATOM 514 O GLU A 36 -5.360 19.099 7.546 1.00 0.00 O ATOM 515 CB GLU A 36 -8.372 20.030 8.626 1.00 0.00 C ATOM 516 CG GLU A 36 -9.871 19.909 8.406 1.00 0.00 C ATOM 517 CD GLU A 36 -10.663 20.908 9.226 1.00 0.00 C ATOM 518 OE1 GLU A 36 -10.156 21.346 10.280 1.00 0.00 O ATOM 519 OE2 GLU A 36 -11.791 21.253 8.814 1.00 0.00 O ATOM 0 H GLU A 36 -8.488 17.975 10.072 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.782 18.448 7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.188 20.325 9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.984 20.827 7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.092 20.056 7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.192 18.899 8.662 1.00 0.00 H new ATOM 526 N THR A 37 -5.674 19.035 9.774 1.00 0.00 N ATOM 527 CA THR A 37 -4.268 19.256 10.088 1.00 0.00 C ATOM 528 C THR A 37 -3.620 17.987 10.631 1.00 0.00 C ATOM 529 O THR A 37 -2.510 17.628 10.237 1.00 0.00 O ATOM 530 CB THR A 37 -4.093 20.389 11.117 1.00 0.00 C ATOM 531 OG1 THR A 37 -2.703 20.596 11.387 1.00 0.00 O ATOM 532 CG2 THR A 37 -4.823 20.061 12.411 1.00 0.00 C ATOM 0 H THR A 37 -6.278 18.934 10.590 1.00 0.00 H new ATOM 0 HA THR A 37 -3.778 19.542 9.157 1.00 0.00 H new ATOM 0 HB THR A 37 -4.520 21.300 10.698 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.601 21.319 12.041 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.685 20.875 13.123 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.886 19.933 12.207 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.421 19.139 12.832 1.00 0.00 H new ATOM 540 N ASP A 38 -4.320 17.312 11.536 1.00 0.00 N ATOM 541 CA ASP A 38 -3.813 16.082 12.132 1.00 0.00 C ATOM 542 C ASP A 38 -3.334 15.113 11.055 1.00 0.00 C ATOM 543 O ASP A 38 -2.249 14.543 11.157 1.00 0.00 O ATOM 544 CB ASP A 38 -4.896 15.420 12.986 1.00 0.00 C ATOM 545 CG ASP A 38 -4.316 14.522 14.062 1.00 0.00 C ATOM 546 OD1 ASP A 38 -3.470 13.667 13.728 1.00 0.00 O ATOM 547 OD2 ASP A 38 -4.709 14.676 15.237 1.00 0.00 O ATOM 0 H ASP A 38 -5.240 17.596 11.873 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.965 16.338 12.768 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.509 16.191 13.452 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.554 14.835 12.344 1.00 0.00 H new ATOM 552 N GLY A 39 -4.153 14.932 10.023 1.00 0.00 N ATOM 553 CA GLY A 39 -3.796 14.031 8.943 1.00 0.00 C ATOM 554 C GLY A 39 -4.968 13.188 8.480 1.00 0.00 C ATOM 555 O GLY A 39 -6.024 13.178 9.113 1.00 0.00 O ATOM 0 H GLY A 39 -5.057 15.393 9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.414 14.610 8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.989 13.376 9.272 1.00 0.00 H new ATOM 559 N THR A 40 -4.783 12.479 7.371 1.00 0.00 N ATOM 560 CA THR A 40 -5.834 11.631 6.822 1.00 0.00 C ATOM 561 C THR A 40 -5.393 10.173 6.768 1.00 0.00 C ATOM 562 O THR A 40 -4.460 9.823 6.045 1.00 0.00 O ATOM 563 CB THR A 40 -6.240 12.086 5.407 1.00 0.00 C ATOM 564 OG1 THR A 40 -6.686 13.446 5.439 1.00 0.00 O ATOM 565 CG2 THR A 40 -7.343 11.198 4.849 1.00 0.00 C ATOM 0 H THR A 40 -3.915 12.475 6.835 1.00 0.00 H new ATOM 0 HA THR A 40 -6.693 11.723 7.486 1.00 0.00 H new ATOM 0 HB THR A 40 -5.367 12.006 4.759 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.941 13.728 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.613 11.538 3.849 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.990 10.168 4.799 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.217 11.251 5.499 1.00 0.00 H new ATOM 573 N VAL A 41 -6.069 9.326 7.537 1.00 0.00 N ATOM 574 CA VAL A 41 -5.748 7.904 7.575 1.00 0.00 C ATOM 575 C VAL A 41 -6.919 7.063 7.080 1.00 0.00 C ATOM 576 O VAL A 41 -8.073 7.328 7.415 1.00 0.00 O ATOM 577 CB VAL A 41 -5.370 7.453 8.998 1.00 0.00 C ATOM 578 CG1 VAL A 41 -5.121 5.952 9.034 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.150 8.216 9.493 1.00 0.00 C ATOM 0 H VAL A 41 -6.843 9.600 8.143 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.893 7.754 6.915 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.204 7.675 9.664 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.855 5.651 10.047 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.024 5.426 8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.305 5.702 8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.897 7.884 10.500 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.308 8.027 8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.370 9.284 9.507 1.00 0.00 H new ATOM 589 N PHE A 42 -6.613 6.046 6.282 1.00 0.00 N ATOM 590 CA PHE A 42 -7.641 5.164 5.740 1.00 0.00 C ATOM 591 C PHE A 42 -7.072 3.777 5.455 1.00 0.00 C ATOM 592 O PHE A 42 -5.900 3.634 5.105 1.00 0.00 O ATOM 593 CB PHE A 42 -8.229 5.759 4.459 1.00 0.00 C ATOM 594 CG PHE A 42 -7.189 6.192 3.466 1.00 0.00 C ATOM 595 CD1 PHE A 42 -6.460 5.254 2.752 1.00 0.00 C ATOM 596 CD2 PHE A 42 -6.940 7.537 3.245 1.00 0.00 C ATOM 597 CE1 PHE A 42 -5.502 5.650 1.839 1.00 0.00 C ATOM 598 CE2 PHE A 42 -5.983 7.939 2.332 1.00 0.00 C ATOM 599 CZ PHE A 42 -5.264 6.994 1.627 1.00 0.00 C ATOM 0 H PHE A 42 -5.662 5.812 5.996 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.432 5.068 6.484 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.881 5.021 3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.851 6.616 4.718 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.643 4.202 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.500 8.280 3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.939 4.909 1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.798 8.991 2.170 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.517 7.305 0.911 1.00 0.00 H new ATOM 609 N ARG A 43 -7.910 2.757 5.609 1.00 0.00 N ATOM 610 CA ARG A 43 -7.492 1.381 5.371 1.00 0.00 C ATOM 611 C ARG A 43 -8.391 0.711 4.336 1.00 0.00 C ATOM 612 O ARG A 43 -9.600 0.591 4.536 1.00 0.00 O ATOM 613 CB ARG A 43 -7.517 0.585 6.677 1.00 0.00 C ATOM 614 CG ARG A 43 -7.277 -0.904 6.487 1.00 0.00 C ATOM 615 CD ARG A 43 -8.579 -1.653 6.248 1.00 0.00 C ATOM 616 NE ARG A 43 -8.467 -3.068 6.590 1.00 0.00 N ATOM 617 CZ ARG A 43 -8.526 -3.531 7.834 1.00 0.00 C ATOM 618 NH1 ARG A 43 -8.695 -2.694 8.849 1.00 0.00 N ATOM 619 NH2 ARG A 43 -8.416 -4.833 8.065 1.00 0.00 N ATOM 0 H ARG A 43 -8.883 2.858 5.898 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.473 1.399 4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.758 0.984 7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.482 0.730 7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.606 -1.060 5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.780 -1.309 7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.373 -1.199 6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.867 -1.555 5.201 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.336 -3.738 5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.780 -1.692 8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.740 -3.052 9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.286 -5.480 7.287 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.461 -5.187 9.020 1.00 0.00 H new ATOM 633 N ILE A 44 -7.792 0.277 3.232 1.00 0.00 N ATOM 634 CA ILE A 44 -8.539 -0.381 2.168 1.00 0.00 C ATOM 635 C ILE A 44 -8.094 -1.830 1.999 1.00 0.00 C ATOM 636 O ILE A 44 -6.949 -2.177 2.290 1.00 0.00 O ATOM 637 CB ILE A 44 -8.372 0.355 0.825 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.890 0.469 0.462 1.00 0.00 C ATOM 639 CG2 ILE A 44 -9.014 1.732 0.893 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.354 -0.739 -0.274 1.00 0.00 C ATOM 0 H ILE A 44 -6.792 0.369 3.051 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.589 -0.357 2.458 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.874 -0.220 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.742 1.355 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.311 0.615 1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.888 2.240 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.077 1.628 1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.538 2.317 1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.298 -0.589 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.470 -1.626 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.908 -0.874 -1.203 1.00 0.00 H new ATOM 652 N HIS A 45 -9.007 -2.673 1.525 1.00 0.00 N ATOM 653 CA HIS A 45 -8.708 -4.085 1.315 1.00 0.00 C ATOM 654 C HIS A 45 -8.232 -4.332 -0.113 1.00 0.00 C ATOM 655 O HIS A 45 -8.799 -3.801 -1.069 1.00 0.00 O ATOM 656 CB HIS A 45 -9.943 -4.938 1.609 1.00 0.00 C ATOM 657 CG HIS A 45 -10.047 -5.367 3.040 1.00 0.00 C ATOM 658 ND1 HIS A 45 -11.225 -5.319 3.756 1.00 0.00 N ATOM 659 CD2 HIS A 45 -9.113 -5.855 3.889 1.00 0.00 C ATOM 660 CE1 HIS A 45 -11.010 -5.758 4.983 1.00 0.00 C ATOM 661 NE2 HIS A 45 -9.736 -6.090 5.090 1.00 0.00 N ATOM 0 H HIS A 45 -9.959 -2.402 1.279 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.909 -4.369 2.000 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.836 -4.374 1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -9.923 -5.823 0.973 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -12.122 -4.995 3.394 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.071 -6.028 3.664 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.750 -5.833 5.766 1.00 0.00 H new ATOM 670 N THR A 46 -7.187 -5.142 -0.251 1.00 0.00 N ATOM 671 CA THR A 46 -6.633 -5.459 -1.562 1.00 0.00 C ATOM 672 C THR A 46 -6.301 -6.942 -1.675 1.00 0.00 C ATOM 673 O THR A 46 -5.890 -7.573 -0.700 1.00 0.00 O ATOM 674 CB THR A 46 -5.363 -4.636 -1.849 1.00 0.00 C ATOM 675 OG1 THR A 46 -4.967 -4.807 -3.214 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.227 -5.057 -0.929 1.00 0.00 C ATOM 0 H THR A 46 -6.707 -5.591 0.529 1.00 0.00 H new ATOM 0 HA THR A 46 -7.396 -5.204 -2.298 1.00 0.00 H new ATOM 0 HB THR A 46 -5.588 -3.585 -1.666 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.635 -3.956 -3.567 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.341 -4.462 -1.150 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.521 -4.898 0.108 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.004 -6.112 -1.086 1.00 0.00 H new ATOM 684 N LYS A 47 -6.480 -7.495 -2.870 1.00 0.00 N ATOM 685 CA LYS A 47 -6.197 -8.905 -3.111 1.00 0.00 C ATOM 686 C LYS A 47 -5.134 -9.069 -4.193 1.00 0.00 C ATOM 687 O LYS A 47 -5.074 -8.287 -5.141 1.00 0.00 O ATOM 688 CB LYS A 47 -7.475 -9.639 -3.522 1.00 0.00 C ATOM 689 CG LYS A 47 -8.076 -9.135 -4.823 1.00 0.00 C ATOM 690 CD LYS A 47 -9.419 -9.786 -5.107 1.00 0.00 C ATOM 691 CE LYS A 47 -10.519 -9.196 -4.237 1.00 0.00 C ATOM 692 NZ LYS A 47 -11.120 -7.980 -4.852 1.00 0.00 N ATOM 0 H LYS A 47 -6.820 -6.988 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.818 -9.338 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.257 -10.702 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.214 -9.537 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.199 -8.053 -4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.390 -9.340 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.674 -9.653 -6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.349 -10.859 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.296 -9.944 -4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.112 -8.944 -3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.865 -7.608 -4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.384 -7.257 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.531 -8.225 -5.775 1.00 0.00 H new ATOM 706 N ALA A 48 -4.298 -10.091 -4.044 1.00 0.00 N ATOM 707 CA ALA A 48 -3.240 -10.359 -5.010 1.00 0.00 C ATOM 708 C ALA A 48 -3.580 -11.568 -5.875 1.00 0.00 C ATOM 709 O ALA A 48 -4.636 -12.178 -5.716 1.00 0.00 O ATOM 710 CB ALA A 48 -1.914 -10.575 -4.294 1.00 0.00 C ATOM 0 H ALA A 48 -4.333 -10.747 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.150 -9.492 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.133 -10.774 -5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.658 -9.681 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.001 -11.424 -3.616 1.00 0.00 H new ATOM 716 N GLU A 49 -2.677 -11.907 -6.790 1.00 0.00 N ATOM 717 CA GLU A 49 -2.884 -13.043 -7.681 1.00 0.00 C ATOM 718 C GLU A 49 -2.796 -14.359 -6.914 1.00 0.00 C ATOM 719 O GLU A 49 -3.136 -15.419 -7.438 1.00 0.00 O ATOM 720 CB GLU A 49 -1.851 -13.028 -8.810 1.00 0.00 C ATOM 721 CG GLU A 49 -2.275 -13.825 -10.033 1.00 0.00 C ATOM 722 CD GLU A 49 -3.562 -13.310 -10.648 1.00 0.00 C ATOM 723 OE1 GLU A 49 -4.643 -13.616 -10.105 1.00 0.00 O ATOM 724 OE2 GLU A 49 -3.486 -12.601 -11.673 1.00 0.00 O ATOM 0 H GLU A 49 -1.797 -11.412 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.882 -12.959 -8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.664 -11.996 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.909 -13.428 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.481 -13.789 -10.779 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.403 -14.871 -9.754 1.00 0.00 H new ATOM 731 N GLY A 50 -2.337 -14.282 -5.669 1.00 0.00 N ATOM 732 CA GLY A 50 -2.212 -15.473 -4.849 1.00 0.00 C ATOM 733 C GLY A 50 -1.063 -16.360 -5.287 1.00 0.00 C ATOM 734 O GLY A 50 -0.920 -16.663 -6.472 1.00 0.00 O ATOM 0 H GLY A 50 -2.049 -13.416 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.066 -15.181 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.142 -16.040 -4.893 1.00 0.00 H new ATOM 738 N PHE A 51 -0.241 -16.777 -4.330 1.00 0.00 N ATOM 739 CA PHE A 51 0.903 -17.632 -4.623 1.00 0.00 C ATOM 740 C PHE A 51 0.474 -18.861 -5.420 1.00 0.00 C ATOM 741 O PHE A 51 1.093 -19.210 -6.424 1.00 0.00 O ATOM 742 CB PHE A 51 1.589 -18.065 -3.326 1.00 0.00 C ATOM 743 CG PHE A 51 1.854 -16.929 -2.379 1.00 0.00 C ATOM 744 CD1 PHE A 51 2.685 -15.884 -2.747 1.00 0.00 C ATOM 745 CD2 PHE A 51 1.271 -16.907 -1.123 1.00 0.00 C ATOM 746 CE1 PHE A 51 2.931 -14.838 -1.877 1.00 0.00 C ATOM 747 CE2 PHE A 51 1.512 -15.864 -0.249 1.00 0.00 C ATOM 748 CZ PHE A 51 2.343 -14.827 -0.628 1.00 0.00 C ATOM 0 H PHE A 51 -0.346 -16.537 -3.344 1.00 0.00 H new ATOM 0 HA PHE A 51 1.608 -17.059 -5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.967 -18.807 -2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.533 -18.553 -3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.146 -15.886 -3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.620 -17.715 -0.823 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.583 -14.030 -2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.052 -15.859 0.728 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.532 -14.009 0.052 1.00 0.00 H new ATOM 758 N MET A 52 -0.591 -19.512 -4.963 1.00 0.00 N ATOM 759 CA MET A 52 -1.104 -20.701 -5.633 1.00 0.00 C ATOM 760 C MET A 52 -2.341 -20.368 -6.461 1.00 0.00 C ATOM 761 O MET A 52 -3.304 -21.134 -6.492 1.00 0.00 O ATOM 762 CB MET A 52 -1.440 -21.785 -4.607 1.00 0.00 C ATOM 763 CG MET A 52 -2.606 -21.424 -3.701 1.00 0.00 C ATOM 764 SD MET A 52 -2.878 -22.642 -2.400 1.00 0.00 S ATOM 765 CE MET A 52 -3.460 -24.039 -3.359 1.00 0.00 C ATOM 0 H MET A 52 -1.115 -19.236 -4.132 1.00 0.00 H new ATOM 0 HA MET A 52 -0.329 -21.072 -6.304 1.00 0.00 H new ATOM 0 HB2 MET A 52 -1.672 -22.711 -5.132 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.560 -21.978 -3.993 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.421 -20.450 -3.248 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.511 -21.330 -4.301 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.855 -24.802 -2.688 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.247 -23.711 -4.039 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.633 -24.455 -3.935 1.00 0.00 H new ATOM 775 N ASP A 53 -2.307 -19.221 -7.131 1.00 0.00 N ATOM 776 CA ASP A 53 -3.425 -18.787 -7.960 1.00 0.00 C ATOM 777 C ASP A 53 -4.701 -18.665 -7.133 1.00 0.00 C ATOM 778 O ASP A 53 -5.762 -19.140 -7.535 1.00 0.00 O ATOM 779 CB ASP A 53 -3.643 -19.767 -9.114 1.00 0.00 C ATOM 780 CG ASP A 53 -4.223 -19.095 -10.343 1.00 0.00 C ATOM 781 OD1 ASP A 53 -3.982 -17.884 -10.526 1.00 0.00 O ATOM 782 OD2 ASP A 53 -4.918 -19.781 -11.122 1.00 0.00 O ATOM 0 H ASP A 53 -1.517 -18.575 -7.116 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.182 -17.806 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.693 -20.235 -9.374 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.313 -20.563 -8.789 1.00 0.00 H new ATOM 787 N ALA A 54 -4.588 -18.025 -5.973 1.00 0.00 N ATOM 788 CA ALA A 54 -5.732 -17.840 -5.089 1.00 0.00 C ATOM 789 C ALA A 54 -5.675 -16.484 -4.394 1.00 0.00 C ATOM 790 O ALA A 54 -4.828 -16.254 -3.530 1.00 0.00 O ATOM 791 CB ALA A 54 -5.792 -18.960 -4.061 1.00 0.00 C ATOM 0 H ALA A 54 -3.716 -17.626 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.637 -17.870 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.651 -18.809 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.889 -19.918 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.879 -18.957 -3.466 1.00 0.00 H new ATOM 797 N ASP A 55 -6.580 -15.590 -4.776 1.00 0.00 N ATOM 798 CA ASP A 55 -6.632 -14.256 -4.188 1.00 0.00 C ATOM 799 C ASP A 55 -6.384 -14.314 -2.684 1.00 0.00 C ATOM 800 O ASP A 55 -7.178 -14.885 -1.936 1.00 0.00 O ATOM 801 CB ASP A 55 -7.987 -13.604 -4.469 1.00 0.00 C ATOM 802 CG ASP A 55 -8.528 -13.960 -5.840 1.00 0.00 C ATOM 803 OD1 ASP A 55 -9.081 -15.070 -5.990 1.00 0.00 O ATOM 804 OD2 ASP A 55 -8.398 -13.129 -6.762 1.00 0.00 O ATOM 0 H ASP A 55 -7.287 -15.764 -5.490 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.846 -13.654 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.702 -13.916 -3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.889 -12.521 -4.390 1.00 0.00 H new ATOM 809 N ILE A 56 -5.277 -13.722 -2.249 1.00 0.00 N ATOM 810 CA ILE A 56 -4.925 -13.707 -0.835 1.00 0.00 C ATOM 811 C ILE A 56 -5.412 -12.429 -0.160 1.00 0.00 C ATOM 812 O ILE A 56 -5.291 -11.328 -0.698 1.00 0.00 O ATOM 813 CB ILE A 56 -3.403 -13.832 -0.632 1.00 0.00 C ATOM 814 CG1 ILE A 56 -2.891 -15.138 -1.244 1.00 0.00 C ATOM 815 CG2 ILE A 56 -3.058 -13.764 0.848 1.00 0.00 C ATOM 816 CD1 ILE A 56 -3.301 -16.370 -0.468 1.00 0.00 C ATOM 0 H ILE A 56 -4.609 -13.247 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.417 -14.566 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.914 -12.999 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.262 -15.221 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.803 -15.101 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.979 -13.854 0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.393 -12.811 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.554 -14.579 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.903 -17.258 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.907 -16.309 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.389 -16.432 -0.431 1.00 0.00 H new ATOM 828 N PRO A 57 -5.976 -12.576 1.048 1.00 0.00 N ATOM 829 CA PRO A 57 -6.491 -11.444 1.824 1.00 0.00 C ATOM 830 C PRO A 57 -5.376 -10.543 2.345 1.00 0.00 C ATOM 831 O PRO A 57 -4.774 -10.819 3.384 1.00 0.00 O ATOM 832 CB PRO A 57 -7.223 -12.116 2.988 1.00 0.00 C ATOM 833 CG PRO A 57 -6.562 -13.443 3.136 1.00 0.00 C ATOM 834 CD PRO A 57 -6.153 -13.858 1.750 1.00 0.00 C ATOM 0 HA PRO A 57 -7.125 -10.793 1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.138 -11.527 3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.287 -12.225 2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.696 -13.377 3.795 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.243 -14.171 3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.232 -14.441 1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.915 -14.475 1.274 1.00 0.00 H new ATOM 842 N LEU A 58 -5.106 -9.464 1.618 1.00 0.00 N ATOM 843 CA LEU A 58 -4.063 -8.521 2.007 1.00 0.00 C ATOM 844 C LEU A 58 -4.668 -7.264 2.624 1.00 0.00 C ATOM 845 O LEU A 58 -5.860 -7.000 2.473 1.00 0.00 O ATOM 846 CB LEU A 58 -3.207 -8.148 0.795 1.00 0.00 C ATOM 847 CG LEU A 58 -2.536 -9.310 0.063 1.00 0.00 C ATOM 848 CD1 LEU A 58 -2.297 -8.955 -1.396 1.00 0.00 C ATOM 849 CD2 LEU A 58 -1.227 -9.684 0.744 1.00 0.00 C ATOM 0 H LEU A 58 -5.595 -9.221 0.756 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.432 -9.002 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.835 -7.611 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.432 -7.455 1.122 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.202 -10.172 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.819 -9.794 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.250 -8.737 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.651 -8.079 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.763 -10.513 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.555 -8.826 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.425 -9.981 1.774 1.00 0.00 H new ATOM 861 N GLU A 59 -3.837 -6.493 3.318 1.00 0.00 N ATOM 862 CA GLU A 59 -4.290 -5.263 3.957 1.00 0.00 C ATOM 863 C GLU A 59 -3.272 -4.143 3.765 1.00 0.00 C ATOM 864 O GLU A 59 -2.093 -4.299 4.087 1.00 0.00 O ATOM 865 CB GLU A 59 -4.534 -5.497 5.449 1.00 0.00 C ATOM 866 CG GLU A 59 -5.524 -4.522 6.064 1.00 0.00 C ATOM 867 CD GLU A 59 -4.910 -3.164 6.344 1.00 0.00 C ATOM 868 OE1 GLU A 59 -4.864 -2.331 5.416 1.00 0.00 O ATOM 869 OE2 GLU A 59 -4.475 -2.936 7.492 1.00 0.00 O ATOM 0 H GLU A 59 -2.847 -6.698 3.452 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.226 -4.963 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.900 -6.513 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.585 -5.422 5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.373 -4.401 5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.910 -4.940 6.993 1.00 0.00 H new ATOM 876 N LEU A 60 -3.735 -3.014 3.239 1.00 0.00 N ATOM 877 CA LEU A 60 -2.865 -1.867 3.004 1.00 0.00 C ATOM 878 C LEU A 60 -3.457 -0.601 3.614 1.00 0.00 C ATOM 879 O LEU A 60 -4.580 -0.211 3.294 1.00 0.00 O ATOM 880 CB LEU A 60 -2.644 -1.669 1.503 1.00 0.00 C ATOM 881 CG LEU A 60 -1.480 -2.446 0.888 1.00 0.00 C ATOM 882 CD1 LEU A 60 -1.730 -2.699 -0.591 1.00 0.00 C ATOM 883 CD2 LEU A 60 -0.172 -1.694 1.088 1.00 0.00 C ATOM 0 H LEU A 60 -4.707 -2.869 2.967 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.906 -2.065 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.559 -1.951 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.485 -0.607 1.317 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.404 -3.409 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.891 -3.253 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.645 -3.279 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.833 -1.746 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.646 -2.262 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.237 -0.717 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.014 -1.564 2.154 1.00 0.00 H new ATOM 895 N VAL A 61 -2.693 0.039 4.493 1.00 0.00 N ATOM 896 CA VAL A 61 -3.141 1.264 5.146 1.00 0.00 C ATOM 897 C VAL A 61 -2.205 2.427 4.833 1.00 0.00 C ATOM 898 O VAL A 61 -1.072 2.473 5.313 1.00 0.00 O ATOM 899 CB VAL A 61 -3.228 1.086 6.674 1.00 0.00 C ATOM 900 CG1 VAL A 61 -3.584 2.404 7.345 1.00 0.00 C ATOM 901 CG2 VAL A 61 -4.240 0.007 7.027 1.00 0.00 C ATOM 0 H VAL A 61 -1.761 -0.270 4.770 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.135 1.486 4.756 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.252 0.771 7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.641 2.259 8.424 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.818 3.146 7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.548 2.752 6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.289 -0.106 8.110 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.222 0.290 6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.936 -0.938 6.577 1.00 0.00 H new ATOM 911 N PHE A 62 -2.687 3.366 4.026 1.00 0.00 N ATOM 912 CA PHE A 62 -1.894 4.530 3.647 1.00 0.00 C ATOM 913 C PHE A 62 -2.359 5.773 4.401 1.00 0.00 C ATOM 914 O PHE A 62 -3.557 5.979 4.600 1.00 0.00 O ATOM 915 CB PHE A 62 -1.988 4.769 2.139 1.00 0.00 C ATOM 916 CG PHE A 62 -1.418 3.647 1.318 1.00 0.00 C ATOM 917 CD1 PHE A 62 -0.048 3.517 1.155 1.00 0.00 C ATOM 918 CD2 PHE A 62 -2.252 2.723 0.710 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.478 2.487 0.399 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.731 1.690 -0.046 1.00 0.00 C ATOM 921 CZ PHE A 62 -0.364 1.571 -0.201 1.00 0.00 C ATOM 0 H PHE A 62 -3.623 3.344 3.622 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.855 4.333 3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.033 4.913 1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.464 5.692 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.616 4.228 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.322 2.811 0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.547 2.398 0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.392 0.977 -0.515 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.046 0.764 -0.790 1.00 0.00 H new ATOM 931 N HIS A 63 -1.404 6.597 4.817 1.00 0.00 N ATOM 932 CA HIS A 63 -1.714 7.820 5.548 1.00 0.00 C ATOM 933 C HIS A 63 -1.103 9.036 4.859 1.00 0.00 C ATOM 934 O HIS A 63 0.108 9.096 4.642 1.00 0.00 O ATOM 935 CB HIS A 63 -1.203 7.724 6.986 1.00 0.00 C ATOM 936 CG HIS A 63 -0.885 9.053 7.599 1.00 0.00 C ATOM 937 ND1 HIS A 63 0.301 9.317 8.251 1.00 0.00 N ATOM 938 CD2 HIS A 63 -1.606 10.197 7.655 1.00 0.00 C ATOM 939 CE1 HIS A 63 0.295 10.565 8.683 1.00 0.00 C ATOM 940 NE2 HIS A 63 -0.851 11.122 8.334 1.00 0.00 N ATOM 0 H HIS A 63 -0.408 6.440 4.660 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.797 7.939 5.562 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.953 7.222 7.597 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.308 7.101 7.004 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.592 10.354 7.242 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.092 11.048 9.229 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.130 12.082 8.536 1.00 0.00 H new ATOM 949 N LEU A 64 -1.947 10.002 4.515 1.00 0.00 N ATOM 950 CA LEU A 64 -1.490 11.217 3.849 1.00 0.00 C ATOM 951 C LEU A 64 -1.486 12.398 4.813 1.00 0.00 C ATOM 952 O LEU A 64 -2.506 13.050 5.039 1.00 0.00 O ATOM 953 CB LEU A 64 -2.382 11.529 2.645 1.00 0.00 C ATOM 954 CG LEU A 64 -2.590 10.386 1.650 1.00 0.00 C ATOM 955 CD1 LEU A 64 -3.502 10.827 0.516 1.00 0.00 C ATOM 956 CD2 LEU A 64 -1.254 9.903 1.106 1.00 0.00 C ATOM 0 H LEU A 64 -2.952 9.968 4.686 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.470 11.051 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.358 11.846 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.953 12.376 2.110 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.068 9.557 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.639 10.002 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.469 11.124 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.052 11.672 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.421 9.090 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.749 10.725 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.633 9.547 1.928 1.00 0.00 H new ATOM 968 N PRO A 65 -0.312 12.684 5.394 1.00 0.00 N ATOM 969 CA PRO A 65 -0.146 13.791 6.342 1.00 0.00 C ATOM 970 C PRO A 65 -0.255 15.154 5.666 1.00 0.00 C ATOM 971 O PRO A 65 -0.716 15.259 4.529 1.00 0.00 O ATOM 972 CB PRO A 65 1.267 13.578 6.892 1.00 0.00 C ATOM 973 CG PRO A 65 1.980 12.825 5.822 1.00 0.00 C ATOM 974 CD PRO A 65 0.945 11.950 5.171 1.00 0.00 C ATOM 0 HA PRO A 65 -0.921 13.791 7.109 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.758 14.528 7.102 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.248 13.016 7.826 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.427 13.506 5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.790 12.227 6.239 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.146 11.812 4.109 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.916 10.958 5.622 1.00 0.00 H new ATOM 982 N VAL A 66 0.172 16.195 6.373 1.00 0.00 N ATOM 983 CA VAL A 66 0.123 17.552 5.841 1.00 0.00 C ATOM 984 C VAL A 66 1.382 17.875 5.043 1.00 0.00 C ATOM 985 O VAL A 66 1.348 18.671 4.107 1.00 0.00 O ATOM 986 CB VAL A 66 -0.038 18.591 6.966 1.00 0.00 C ATOM 987 CG1 VAL A 66 -1.410 18.470 7.612 1.00 0.00 C ATOM 988 CG2 VAL A 66 1.063 18.429 8.003 1.00 0.00 C ATOM 0 H VAL A 66 0.556 16.125 7.315 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.745 17.603 5.183 1.00 0.00 H new ATOM 0 HB VAL A 66 0.047 19.587 6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.506 19.212 8.405 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.182 18.639 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.527 17.472 8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.933 19.171 8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.012 17.429 8.435 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.034 18.570 7.528 1.00 0.00 H new ATOM 998 N ASN A 67 2.492 17.249 5.422 1.00 0.00 N ATOM 999 CA ASN A 67 3.763 17.470 4.741 1.00 0.00 C ATOM 1000 C ASN A 67 3.793 16.748 3.397 1.00 0.00 C ATOM 1001 O ASN A 67 4.280 17.287 2.403 1.00 0.00 O ATOM 1002 CB ASN A 67 4.923 16.990 5.616 1.00 0.00 C ATOM 1003 CG ASN A 67 4.556 15.778 6.450 1.00 0.00 C ATOM 1004 OD1 ASN A 67 3.639 15.031 6.109 1.00 0.00 O ATOM 1005 ND2 ASN A 67 5.273 15.577 7.549 1.00 0.00 N ATOM 0 H ASN A 67 2.537 16.586 6.196 1.00 0.00 H new ATOM 0 HA ASN A 67 3.870 18.540 4.561 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.776 16.747 4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.236 17.800 6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.073 14.777 8.149 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.024 16.222 7.793 1.00 0.00 H new ATOM 1012 N TYR A 68 3.269 15.528 3.375 1.00 0.00 N ATOM 1013 CA TYR A 68 3.237 14.732 2.154 1.00 0.00 C ATOM 1014 C TYR A 68 2.853 15.591 0.953 1.00 0.00 C ATOM 1015 O TYR A 68 2.058 16.526 1.055 1.00 0.00 O ATOM 1016 CB TYR A 68 2.250 13.573 2.302 1.00 0.00 C ATOM 1017 CG TYR A 68 1.783 13.003 0.981 1.00 0.00 C ATOM 1018 CD1 TYR A 68 0.941 13.728 0.148 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.185 11.739 0.567 1.00 0.00 C ATOM 1020 CE1 TYR A 68 0.512 13.211 -1.059 1.00 0.00 C ATOM 1021 CE2 TYR A 68 1.762 11.214 -0.639 1.00 0.00 C ATOM 1022 CZ TYR A 68 0.925 11.954 -1.448 1.00 0.00 C ATOM 1023 OH TYR A 68 0.500 11.436 -2.650 1.00 0.00 O ATOM 0 H TYR A 68 2.860 15.069 4.189 1.00 0.00 H new ATOM 0 HA TYR A 68 4.236 14.331 1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.718 12.780 2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.383 13.915 2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.616 14.713 0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.839 11.157 1.199 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.143 13.788 -1.695 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.085 10.230 -0.946 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.058 10.647 -2.487 1.00 0.00 H new ATOM 1033 N PRO A 69 3.430 15.268 -0.213 1.00 0.00 N ATOM 1034 CA PRO A 69 4.378 14.158 -0.346 1.00 0.00 C ATOM 1035 C PRO A 69 5.707 14.444 0.344 1.00 0.00 C ATOM 1036 O PRO A 69 6.518 13.541 0.550 1.00 0.00 O ATOM 1037 CB PRO A 69 4.577 14.040 -1.859 1.00 0.00 C ATOM 1038 CG PRO A 69 4.271 15.398 -2.389 1.00 0.00 C ATOM 1039 CD PRO A 69 3.203 15.961 -1.492 1.00 0.00 C ATOM 0 HA PRO A 69 4.005 13.247 0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.597 13.741 -2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.914 13.289 -2.288 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.160 16.029 -2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.926 15.345 -3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.297 17.042 -1.385 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.205 15.765 -1.884 1.00 0.00 H new ATOM 1047 N SER A 70 5.924 15.706 0.700 1.00 0.00 N ATOM 1048 CA SER A 70 7.157 16.112 1.365 1.00 0.00 C ATOM 1049 C SER A 70 7.667 15.007 2.285 1.00 0.00 C ATOM 1050 O SER A 70 8.863 14.712 2.315 1.00 0.00 O ATOM 1051 CB SER A 70 6.929 17.395 2.168 1.00 0.00 C ATOM 1052 OG SER A 70 8.158 18.037 2.462 1.00 0.00 O ATOM 0 H SER A 70 5.262 16.465 0.539 1.00 0.00 H new ATOM 0 HA SER A 70 7.910 16.300 0.599 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.287 18.072 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.407 17.160 3.095 1.00 0.00 H new ATOM 0 HG SER A 70 7.986 18.855 2.974 1.00 0.00 H new ATOM 1058 N CYS A 71 6.753 14.400 3.033 1.00 0.00 N ATOM 1059 CA CYS A 71 7.109 13.327 3.955 1.00 0.00 C ATOM 1060 C CYS A 71 6.650 11.975 3.420 1.00 0.00 C ATOM 1061 O CYS A 71 5.962 11.900 2.401 1.00 0.00 O ATOM 1062 CB CYS A 71 6.490 13.582 5.330 1.00 0.00 C ATOM 1063 SG CYS A 71 7.375 12.794 6.696 1.00 0.00 S ATOM 0 H CYS A 71 5.760 14.632 3.019 1.00 0.00 H new ATOM 0 HA CYS A 71 8.195 13.309 4.051 1.00 0.00 H new ATOM 0 HB2 CYS A 71 6.454 14.657 5.507 1.00 0.00 H new ATOM 0 HB3 CYS A 71 5.460 13.225 5.325 1.00 0.00 H new ATOM 0 HG CYS A 71 6.777 13.070 7.817 1.00 0.00 H new ATOM 1069 N LEU A 72 7.038 10.909 4.111 1.00 0.00 N ATOM 1070 CA LEU A 72 6.667 9.557 3.704 1.00 0.00 C ATOM 1071 C LEU A 72 5.353 9.135 4.351 1.00 0.00 C ATOM 1072 O LEU A 72 5.154 9.273 5.559 1.00 0.00 O ATOM 1073 CB LEU A 72 7.774 8.570 4.078 1.00 0.00 C ATOM 1074 CG LEU A 72 9.029 8.605 3.204 1.00 0.00 C ATOM 1075 CD1 LEU A 72 10.218 8.025 3.954 1.00 0.00 C ATOM 1076 CD2 LEU A 72 8.795 7.848 1.905 1.00 0.00 C ATOM 0 H LEU A 72 7.609 10.954 4.955 1.00 0.00 H new ATOM 0 HA LEU A 72 6.535 9.552 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.069 8.760 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.361 7.562 4.045 1.00 0.00 H new ATOM 0 HG LEU A 72 9.251 9.644 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.102 8.058 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.399 8.609 4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.007 6.991 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.698 7.883 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.548 6.810 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.971 8.308 1.359 1.00 0.00 H new ATOM 1088 N PRO A 73 4.433 8.604 3.532 1.00 0.00 N ATOM 1089 CA PRO A 73 3.122 8.148 4.003 1.00 0.00 C ATOM 1090 C PRO A 73 3.220 6.893 4.865 1.00 0.00 C ATOM 1091 O PRO A 73 4.001 5.988 4.574 1.00 0.00 O ATOM 1092 CB PRO A 73 2.364 7.849 2.708 1.00 0.00 C ATOM 1093 CG PRO A 73 3.426 7.550 1.707 1.00 0.00 C ATOM 1094 CD PRO A 73 4.602 8.409 2.082 1.00 0.00 C ATOM 0 HA PRO A 73 2.636 8.890 4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.687 7.003 2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.757 8.700 2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.693 6.493 1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.085 7.775 0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.548 7.919 1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.594 9.358 1.545 1.00 0.00 H new ATOM 1102 N GLY A 74 2.422 6.846 5.927 1.00 0.00 N ATOM 1103 CA GLY A 74 2.435 5.697 6.814 1.00 0.00 C ATOM 1104 C GLY A 74 1.802 4.472 6.185 1.00 0.00 C ATOM 1105 O GLY A 74 0.594 4.444 5.944 1.00 0.00 O ATOM 0 H GLY A 74 1.767 7.583 6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.464 5.468 7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.904 5.945 7.733 1.00 0.00 H new ATOM 1109 N ILE A 75 2.617 3.458 5.917 1.00 0.00 N ATOM 1110 CA ILE A 75 2.130 2.225 5.311 1.00 0.00 C ATOM 1111 C ILE A 75 2.181 1.068 6.303 1.00 0.00 C ATOM 1112 O ILE A 75 3.119 0.954 7.091 1.00 0.00 O ATOM 1113 CB ILE A 75 2.946 1.851 4.060 1.00 0.00 C ATOM 1114 CG1 ILE A 75 2.728 2.885 2.954 1.00 0.00 C ATOM 1115 CG2 ILE A 75 2.565 0.460 3.575 1.00 0.00 C ATOM 1116 CD1 ILE A 75 3.840 2.916 1.929 1.00 0.00 C ATOM 0 H ILE A 75 3.619 3.466 6.110 1.00 0.00 H new ATOM 0 HA ILE A 75 1.095 2.405 5.018 1.00 0.00 H new ATOM 0 HB ILE A 75 4.004 1.846 4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.785 2.672 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.633 3.873 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.150 0.210 2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.767 -0.267 4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.504 0.439 3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.619 3.672 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.782 3.159 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.922 1.940 1.451 1.00 0.00 H new ATOM 1128 N SER A 76 1.166 0.211 6.257 1.00 0.00 N ATOM 1129 CA SER A 76 1.094 -0.937 7.153 1.00 0.00 C ATOM 1130 C SER A 76 0.630 -2.183 6.404 1.00 0.00 C ATOM 1131 O SER A 76 -0.283 -2.120 5.579 1.00 0.00 O ATOM 1132 CB SER A 76 0.145 -0.645 8.316 1.00 0.00 C ATOM 1133 OG SER A 76 0.767 0.179 9.287 1.00 0.00 O ATOM 0 H SER A 76 0.382 0.290 5.609 1.00 0.00 H new ATOM 0 HA SER A 76 2.093 -1.122 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.754 -0.156 7.942 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.170 -1.581 8.777 1.00 0.00 H new ATOM 0 HG SER A 76 0.139 0.353 10.019 1.00 0.00 H new ATOM 1139 N ILE A 77 1.265 -3.313 6.696 1.00 0.00 N ATOM 1140 CA ILE A 77 0.917 -4.573 6.052 1.00 0.00 C ATOM 1141 C ILE A 77 0.685 -5.672 7.083 1.00 0.00 C ATOM 1142 O ILE A 77 1.567 -5.985 7.881 1.00 0.00 O ATOM 1143 CB ILE A 77 2.016 -5.027 5.073 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.353 -3.901 4.093 1.00 0.00 C ATOM 1145 CG2 ILE A 77 1.575 -6.275 4.324 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.234 -3.590 3.123 1.00 0.00 C ATOM 0 H ILE A 77 2.023 -3.382 7.375 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.004 -4.399 5.496 1.00 0.00 H new ATOM 0 HB ILE A 77 2.914 -5.268 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.596 -3.000 4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.245 -4.175 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.362 -6.584 3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.380 -7.077 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.666 -6.060 3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.542 -2.783 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.006 -4.478 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.346 -3.285 3.677 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.509 -6.255 7.060 1.00 0.00 N ATOM 1159 CA ASN A 78 -0.858 -7.321 7.992 1.00 0.00 C ATOM 1160 C ASN A 78 -1.987 -8.183 7.435 1.00 0.00 C ATOM 1161 O ASN A 78 -3.085 -7.693 7.172 1.00 0.00 O ATOM 1162 CB ASN A 78 -1.270 -6.731 9.342 1.00 0.00 C ATOM 1163 CG ASN A 78 -0.452 -5.509 9.713 1.00 0.00 C ATOM 1164 OD1 ASN A 78 0.554 -5.611 10.415 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -0.882 -4.345 9.242 1.00 0.00 N ATOM 0 H ASN A 78 -1.251 -6.007 6.406 1.00 0.00 H new ATOM 0 HA ASN A 78 0.021 -7.951 8.131 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.326 -6.462 9.311 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.157 -7.489 10.117 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.373 -3.488 9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.721 -4.308 8.664 1.00 0.00 H new ATOM 1172 N SER A 79 -1.709 -9.471 7.259 1.00 0.00 N ATOM 1173 CA SER A 79 -2.699 -10.402 6.731 1.00 0.00 C ATOM 1174 C SER A 79 -2.869 -11.600 7.660 1.00 0.00 C ATOM 1175 O SER A 79 -1.897 -12.106 8.220 1.00 0.00 O ATOM 1176 CB SER A 79 -2.290 -10.878 5.336 1.00 0.00 C ATOM 1177 OG SER A 79 -3.121 -11.937 4.894 1.00 0.00 O ATOM 0 H SER A 79 -0.806 -9.893 7.474 1.00 0.00 H new ATOM 0 HA SER A 79 -3.653 -9.879 6.663 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.350 -10.047 4.633 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.251 -11.209 5.351 1.00 0.00 H new ATOM 0 HG SER A 79 -3.988 -11.577 4.612 1.00 0.00 H new ATOM 1183 N GLU A 80 -4.111 -12.047 7.818 1.00 0.00 N ATOM 1184 CA GLU A 80 -4.408 -13.185 8.680 1.00 0.00 C ATOM 1185 C GLU A 80 -3.485 -14.360 8.368 1.00 0.00 C ATOM 1186 O GLU A 80 -3.217 -15.196 9.230 1.00 0.00 O ATOM 1187 CB GLU A 80 -5.868 -13.612 8.513 1.00 0.00 C ATOM 1188 CG GLU A 80 -6.841 -12.791 9.343 1.00 0.00 C ATOM 1189 CD GLU A 80 -6.961 -13.296 10.768 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -5.998 -13.117 11.544 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -8.017 -13.870 11.108 1.00 0.00 O ATOM 0 H GLU A 80 -4.927 -11.639 7.361 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.242 -12.879 9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.143 -13.532 7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.964 -14.662 8.789 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.514 -11.751 9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.823 -12.811 8.870 1.00 0.00 H new ATOM 1198 N GLN A 81 -3.003 -14.414 7.131 1.00 0.00 N ATOM 1199 CA GLN A 81 -2.112 -15.486 6.705 1.00 0.00 C ATOM 1200 C GLN A 81 -0.654 -15.112 6.951 1.00 0.00 C ATOM 1201 O GLN A 81 0.049 -15.779 7.711 1.00 0.00 O ATOM 1202 CB GLN A 81 -2.327 -15.799 5.223 1.00 0.00 C ATOM 1203 CG GLN A 81 -3.704 -16.364 4.914 1.00 0.00 C ATOM 1204 CD GLN A 81 -3.841 -17.820 5.313 1.00 0.00 C ATOM 1205 OE1 GLN A 81 -2.931 -18.401 5.906 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -4.981 -18.418 4.990 1.00 0.00 N ATOM 0 H GLN A 81 -3.215 -13.728 6.406 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.345 -16.373 7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.178 -14.888 4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.569 -16.512 4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.459 -15.776 5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.903 -16.264 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.708 -17.898 4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.130 -19.397 5.233 1.00 0.00 H new ATOM 1215 N LEU A 82 -0.206 -14.042 6.303 1.00 0.00 N ATOM 1216 CA LEU A 82 1.170 -13.579 6.452 1.00 0.00 C ATOM 1217 C LEU A 82 1.639 -13.718 7.896 1.00 0.00 C ATOM 1218 O LEU A 82 0.834 -13.684 8.828 1.00 0.00 O ATOM 1219 CB LEU A 82 1.288 -12.121 6.003 1.00 0.00 C ATOM 1220 CG LEU A 82 1.381 -11.888 4.495 1.00 0.00 C ATOM 1221 CD1 LEU A 82 1.212 -10.411 4.172 1.00 0.00 C ATOM 1222 CD2 LEU A 82 2.706 -12.406 3.956 1.00 0.00 C ATOM 0 H LEU A 82 -0.774 -13.479 5.670 1.00 0.00 H new ATOM 0 HA LEU A 82 1.807 -14.200 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.425 -11.574 6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.171 -11.688 6.472 1.00 0.00 H new ATOM 0 HG LEU A 82 0.575 -12.439 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.281 -10.264 3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.238 -10.071 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.996 -9.838 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.755 -12.232 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.527 -11.883 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.787 -13.475 4.154 1.00 0.00 H new ATOM 1234 N THR A 83 2.947 -13.874 8.076 1.00 0.00 N ATOM 1235 CA THR A 83 3.523 -14.018 9.407 1.00 0.00 C ATOM 1236 C THR A 83 4.181 -12.721 9.864 1.00 0.00 C ATOM 1237 O THR A 83 4.585 -11.896 9.044 1.00 0.00 O ATOM 1238 CB THR A 83 4.566 -15.151 9.448 1.00 0.00 C ATOM 1239 OG1 THR A 83 5.342 -15.146 8.245 1.00 0.00 O ATOM 1240 CG2 THR A 83 3.889 -16.503 9.615 1.00 0.00 C ATOM 0 H THR A 83 3.627 -13.904 7.317 1.00 0.00 H new ATOM 0 HA THR A 83 2.703 -14.264 10.082 1.00 0.00 H new ATOM 0 HB THR A 83 5.221 -14.982 10.303 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.788 -15.453 7.497 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.645 -17.288 9.641 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.322 -16.514 10.546 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.214 -16.678 8.777 1.00 0.00 H new ATOM 1248 N ARG A 84 4.285 -12.546 11.177 1.00 0.00 N ATOM 1249 CA ARG A 84 4.894 -11.349 11.743 1.00 0.00 C ATOM 1250 C ARG A 84 6.159 -10.969 10.979 1.00 0.00 C ATOM 1251 O ARG A 84 6.369 -9.803 10.647 1.00 0.00 O ATOM 1252 CB ARG A 84 5.224 -11.568 13.221 1.00 0.00 C ATOM 1253 CG ARG A 84 5.344 -10.278 14.016 1.00 0.00 C ATOM 1254 CD ARG A 84 3.989 -9.613 14.206 1.00 0.00 C ATOM 1255 NE ARG A 84 3.262 -10.169 15.344 1.00 0.00 N ATOM 1256 CZ ARG A 84 2.436 -11.206 15.252 1.00 0.00 C ATOM 1257 NH1 ARG A 84 2.235 -11.796 14.082 1.00 0.00 N ATOM 1258 NH2 ARG A 84 1.810 -11.655 16.332 1.00 0.00 N ATOM 0 H ARG A 84 3.955 -13.219 11.869 1.00 0.00 H new ATOM 0 HA ARG A 84 4.178 -10.532 11.655 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.449 -12.190 13.669 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.161 -12.120 13.297 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.787 -10.489 14.989 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.018 -9.593 13.501 1.00 0.00 H new ATOM 0 HD2 ARG A 84 4.128 -8.542 14.353 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.395 -9.736 13.301 1.00 0.00 H new ATOM 0 HE ARG A 84 3.395 -9.738 16.259 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.715 -11.454 13.249 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.600 -12.592 14.014 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.962 -11.204 17.234 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.176 -12.451 16.260 1.00 0.00 H new ATOM 1272 N ALA A 85 6.999 -11.962 10.705 1.00 0.00 N ATOM 1273 CA ALA A 85 8.242 -11.732 9.979 1.00 0.00 C ATOM 1274 C ALA A 85 7.967 -11.244 8.560 1.00 0.00 C ATOM 1275 O ALA A 85 8.648 -10.350 8.060 1.00 0.00 O ATOM 1276 CB ALA A 85 9.078 -13.003 9.950 1.00 0.00 C ATOM 0 H ALA A 85 6.841 -12.933 10.975 1.00 0.00 H new ATOM 0 HA ALA A 85 8.800 -10.954 10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.003 -12.817 9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.313 -13.308 10.970 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.518 -13.796 9.454 1.00 0.00 H new ATOM 1282 N GLN A 86 6.967 -11.839 7.918 1.00 0.00 N ATOM 1283 CA GLN A 86 6.605 -11.465 6.557 1.00 0.00 C ATOM 1284 C GLN A 86 5.917 -10.104 6.530 1.00 0.00 C ATOM 1285 O GLN A 86 6.433 -9.148 5.952 1.00 0.00 O ATOM 1286 CB GLN A 86 5.689 -12.525 5.941 1.00 0.00 C ATOM 1287 CG GLN A 86 6.396 -13.835 5.632 1.00 0.00 C ATOM 1288 CD GLN A 86 5.432 -14.950 5.279 1.00 0.00 C ATOM 1289 OE1 GLN A 86 4.341 -15.043 5.843 1.00 0.00 O ATOM 1290 NE2 GLN A 86 5.829 -15.802 4.342 1.00 0.00 N ATOM 0 H GLN A 86 6.394 -12.581 8.319 1.00 0.00 H new ATOM 0 HA GLN A 86 7.521 -11.400 5.970 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.862 -12.720 6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.256 -12.130 5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.088 -13.683 4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.991 -14.134 6.495 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.742 -15.687 3.901 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.221 -16.572 4.063 1.00 0.00 H new ATOM 1299 N CYS A 87 4.749 -10.025 7.159 1.00 0.00 N ATOM 1300 CA CYS A 87 3.990 -8.781 7.207 1.00 0.00 C ATOM 1301 C CYS A 87 4.922 -7.578 7.314 1.00 0.00 C ATOM 1302 O CYS A 87 4.607 -6.491 6.831 1.00 0.00 O ATOM 1303 CB CYS A 87 3.019 -8.797 8.389 1.00 0.00 C ATOM 1304 SG CYS A 87 3.800 -8.480 9.989 1.00 0.00 S ATOM 0 H CYS A 87 4.308 -10.807 7.642 1.00 0.00 H new ATOM 0 HA CYS A 87 3.422 -8.695 6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.245 -8.049 8.220 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.523 -9.767 8.425 1.00 0.00 H new ATOM 0 HG CYS A 87 4.992 -8.998 10.000 1.00 0.00 H new ATOM 1310 N VAL A 88 6.069 -7.781 7.953 1.00 0.00 N ATOM 1311 CA VAL A 88 7.047 -6.714 8.125 1.00 0.00 C ATOM 1312 C VAL A 88 7.885 -6.528 6.866 1.00 0.00 C ATOM 1313 O VAL A 88 8.020 -5.416 6.354 1.00 0.00 O ATOM 1314 CB VAL A 88 7.984 -6.997 9.315 1.00 0.00 C ATOM 1315 CG1 VAL A 88 9.024 -5.895 9.450 1.00 0.00 C ATOM 1316 CG2 VAL A 88 7.183 -7.146 10.599 1.00 0.00 C ATOM 0 H VAL A 88 6.344 -8.675 8.360 1.00 0.00 H new ATOM 0 HA VAL A 88 6.486 -5.800 8.323 1.00 0.00 H new ATOM 0 HB VAL A 88 8.507 -7.935 9.129 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.677 -6.112 10.296 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.618 -5.842 8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.524 -4.941 9.614 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.860 -7.346 11.429 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.632 -6.226 10.793 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.481 -7.974 10.496 1.00 0.00 H new ATOM 1326 N THR A 89 8.448 -7.625 6.368 1.00 0.00 N ATOM 1327 CA THR A 89 9.273 -7.584 5.168 1.00 0.00 C ATOM 1328 C THR A 89 8.570 -6.836 4.042 1.00 0.00 C ATOM 1329 O THR A 89 9.158 -5.966 3.398 1.00 0.00 O ATOM 1330 CB THR A 89 9.630 -9.002 4.683 1.00 0.00 C ATOM 1331 OG1 THR A 89 10.273 -9.732 5.733 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.542 -8.944 3.467 1.00 0.00 C ATOM 0 H THR A 89 8.347 -8.553 6.778 1.00 0.00 H new ATOM 0 HA THR A 89 10.190 -7.057 5.433 1.00 0.00 H new ATOM 0 HB THR A 89 8.707 -9.509 4.402 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.608 -9.994 6.404 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.781 -9.957 3.142 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.038 -8.413 2.659 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.462 -8.420 3.727 1.00 0.00 H new ATOM 1340 N VAL A 90 7.307 -7.178 3.808 1.00 0.00 N ATOM 1341 CA VAL A 90 6.522 -6.537 2.760 1.00 0.00 C ATOM 1342 C VAL A 90 6.452 -5.029 2.971 1.00 0.00 C ATOM 1343 O VAL A 90 6.785 -4.250 2.078 1.00 0.00 O ATOM 1344 CB VAL A 90 5.091 -7.104 2.704 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.294 -6.434 1.595 1.00 0.00 C ATOM 1346 CG2 VAL A 90 5.123 -8.613 2.513 1.00 0.00 C ATOM 0 H VAL A 90 6.805 -7.896 4.331 1.00 0.00 H new ATOM 0 HA VAL A 90 7.024 -6.746 1.815 1.00 0.00 H new ATOM 0 HB VAL A 90 4.597 -6.892 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.286 -6.847 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.242 -5.361 1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.782 -6.613 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.103 -8.997 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.635 -8.851 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.654 -9.074 3.346 1.00 0.00 H new ATOM 1356 N LYS A 91 6.016 -4.623 4.159 1.00 0.00 N ATOM 1357 CA LYS A 91 5.903 -3.207 4.490 1.00 0.00 C ATOM 1358 C LYS A 91 7.242 -2.498 4.311 1.00 0.00 C ATOM 1359 O LYS A 91 7.352 -1.548 3.536 1.00 0.00 O ATOM 1360 CB LYS A 91 5.412 -3.037 5.929 1.00 0.00 C ATOM 1361 CG LYS A 91 5.460 -1.601 6.422 1.00 0.00 C ATOM 1362 CD LYS A 91 6.792 -1.281 7.079 1.00 0.00 C ATOM 1363 CE LYS A 91 6.757 0.066 7.784 1.00 0.00 C ATOM 1364 NZ LYS A 91 6.269 -0.054 9.186 1.00 0.00 N ATOM 0 H LYS A 91 5.735 -5.255 4.909 1.00 0.00 H new ATOM 0 HA LYS A 91 5.180 -2.757 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.388 -3.403 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.019 -3.659 6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.294 -0.922 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.652 -1.433 7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.042 -2.062 7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.579 -1.278 6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.756 0.502 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.111 0.748 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.260 0.885 9.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.306 -0.447 9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.900 -0.685 9.720 1.00 0.00 H new ATOM 1378 N GLU A 92 8.256 -2.967 5.031 1.00 0.00 N ATOM 1379 CA GLU A 92 9.587 -2.377 4.949 1.00 0.00 C ATOM 1380 C GLU A 92 9.934 -2.014 3.508 1.00 0.00 C ATOM 1381 O GLU A 92 10.264 -0.867 3.207 1.00 0.00 O ATOM 1382 CB GLU A 92 10.633 -3.343 5.509 1.00 0.00 C ATOM 1383 CG GLU A 92 10.748 -3.304 7.024 1.00 0.00 C ATOM 1384 CD GLU A 92 11.250 -1.968 7.536 1.00 0.00 C ATOM 1385 OE1 GLU A 92 12.481 -1.760 7.542 1.00 0.00 O ATOM 1386 OE2 GLU A 92 10.411 -1.131 7.931 1.00 0.00 O ATOM 0 H GLU A 92 8.181 -3.753 5.677 1.00 0.00 H new ATOM 0 HA GLU A 92 9.589 -1.465 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.382 -4.357 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.604 -3.107 5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.773 -3.515 7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.424 -4.093 7.354 1.00 0.00 H new ATOM 1393 N LYS A 93 9.857 -3.000 2.621 1.00 0.00 N ATOM 1394 CA LYS A 93 10.162 -2.787 1.211 1.00 0.00 C ATOM 1395 C LYS A 93 9.372 -1.606 0.656 1.00 0.00 C ATOM 1396 O LYS A 93 9.949 -0.646 0.143 1.00 0.00 O ATOM 1397 CB LYS A 93 9.849 -4.049 0.404 1.00 0.00 C ATOM 1398 CG LYS A 93 10.724 -5.236 0.767 1.00 0.00 C ATOM 1399 CD LYS A 93 12.166 -5.017 0.340 1.00 0.00 C ATOM 1400 CE LYS A 93 12.901 -6.336 0.159 1.00 0.00 C ATOM 1401 NZ LYS A 93 12.570 -6.981 -1.142 1.00 0.00 N ATOM 0 H LYS A 93 9.586 -3.955 2.854 1.00 0.00 H new ATOM 0 HA LYS A 93 11.225 -2.563 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.804 -4.318 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.969 -3.831 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.684 -5.403 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.335 -6.135 0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.189 -4.456 -0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.680 -4.413 1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.976 -6.164 0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.643 -7.011 0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.427 -7.413 -1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.850 -7.716 -0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.202 -6.265 -1.801 1.00 0.00 H new ATOM 1415 N LEU A 94 8.050 -1.683 0.763 1.00 0.00 N ATOM 1416 CA LEU A 94 7.180 -0.619 0.273 1.00 0.00 C ATOM 1417 C LEU A 94 7.698 0.750 0.704 1.00 0.00 C ATOM 1418 O LEU A 94 7.824 1.663 -0.113 1.00 0.00 O ATOM 1419 CB LEU A 94 5.754 -0.822 0.787 1.00 0.00 C ATOM 1420 CG LEU A 94 4.960 -1.954 0.134 1.00 0.00 C ATOM 1421 CD1 LEU A 94 3.900 -2.482 1.088 1.00 0.00 C ATOM 1422 CD2 LEU A 94 4.323 -1.478 -1.164 1.00 0.00 C ATOM 0 H LEU A 94 7.557 -2.470 1.184 1.00 0.00 H new ATOM 0 HA LEU A 94 7.176 -0.659 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.799 -1.009 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.203 0.108 0.648 1.00 0.00 H new ATOM 0 HG LEU A 94 5.647 -2.767 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.345 -3.287 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.379 -2.861 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.215 -1.677 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.762 -2.296 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.649 -0.647 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.102 -1.149 -1.852 1.00 0.00 H new ATOM 1434 N LEU A 95 7.999 0.884 1.991 1.00 0.00 N ATOM 1435 CA LEU A 95 8.506 2.141 2.530 1.00 0.00 C ATOM 1436 C LEU A 95 9.766 2.582 1.792 1.00 0.00 C ATOM 1437 O LEU A 95 9.863 3.722 1.338 1.00 0.00 O ATOM 1438 CB LEU A 95 8.801 1.996 4.024 1.00 0.00 C ATOM 1439 CG LEU A 95 7.627 2.254 4.969 1.00 0.00 C ATOM 1440 CD1 LEU A 95 7.223 3.720 4.930 1.00 0.00 C ATOM 1441 CD2 LEU A 95 6.446 1.364 4.608 1.00 0.00 C ATOM 0 H LEU A 95 7.901 0.138 2.680 1.00 0.00 H new ATOM 0 HA LEU A 95 7.740 2.903 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.171 0.987 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.607 2.682 4.283 1.00 0.00 H new ATOM 0 HG LEU A 95 7.942 2.012 5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.386 3.885 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.067 4.338 5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.926 3.989 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.620 1.561 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.130 1.575 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.741 0.318 4.688 1.00 0.00 H new ATOM 1453 N GLU A 96 10.726 1.671 1.675 1.00 0.00 N ATOM 1454 CA GLU A 96 11.979 1.966 0.990 1.00 0.00 C ATOM 1455 C GLU A 96 11.718 2.528 -0.405 1.00 0.00 C ATOM 1456 O GLU A 96 12.298 3.541 -0.795 1.00 0.00 O ATOM 1457 CB GLU A 96 12.841 0.706 0.890 1.00 0.00 C ATOM 1458 CG GLU A 96 13.696 0.454 2.121 1.00 0.00 C ATOM 1459 CD GLU A 96 14.292 -0.940 2.142 1.00 0.00 C ATOM 1460 OE1 GLU A 96 14.479 -1.523 1.054 1.00 0.00 O ATOM 1461 OE2 GLU A 96 14.572 -1.448 3.248 1.00 0.00 O ATOM 0 H GLU A 96 10.660 0.723 2.045 1.00 0.00 H new ATOM 0 HA GLU A 96 12.512 2.717 1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.193 -0.155 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.490 0.788 0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 96 14.500 1.189 2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.090 0.600 3.015 1.00 0.00 H new ATOM 1468 N GLN A 97 10.840 1.863 -1.149 1.00 0.00 N ATOM 1469 CA GLN A 97 10.503 2.296 -2.500 1.00 0.00 C ATOM 1470 C GLN A 97 9.858 3.678 -2.484 1.00 0.00 C ATOM 1471 O GLN A 97 10.248 4.564 -3.244 1.00 0.00 O ATOM 1472 CB GLN A 97 9.561 1.288 -3.161 1.00 0.00 C ATOM 1473 CG GLN A 97 10.283 0.145 -3.856 1.00 0.00 C ATOM 1474 CD GLN A 97 10.726 0.504 -5.261 1.00 0.00 C ATOM 1475 OE1 GLN A 97 11.212 1.609 -5.508 1.00 0.00 O ATOM 1476 NE2 GLN A 97 10.561 -0.429 -6.191 1.00 0.00 N ATOM 0 H GLN A 97 10.350 1.024 -0.840 1.00 0.00 H new ATOM 0 HA GLN A 97 11.426 2.353 -3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.893 0.878 -2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.938 1.809 -3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.154 -0.142 -3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.626 -0.724 -3.897 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.154 -1.331 -5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.841 -0.244 -7.154 1.00 0.00 H new ATOM 1485 N ALA A 98 8.869 3.854 -1.614 1.00 0.00 N ATOM 1486 CA ALA A 98 8.171 5.128 -1.499 1.00 0.00 C ATOM 1487 C ALA A 98 9.129 6.298 -1.695 1.00 0.00 C ATOM 1488 O ALA A 98 8.951 7.112 -2.601 1.00 0.00 O ATOM 1489 CB ALA A 98 7.479 5.230 -0.147 1.00 0.00 C ATOM 0 H ALA A 98 8.533 3.130 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 98 7.417 5.174 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.961 6.187 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.758 4.419 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.221 5.158 0.648 1.00 0.00 H new ATOM 1495 N GLU A 99 10.143 6.377 -0.839 1.00 0.00 N ATOM 1496 CA GLU A 99 11.127 7.449 -0.918 1.00 0.00 C ATOM 1497 C GLU A 99 11.423 7.810 -2.371 1.00 0.00 C ATOM 1498 O GLU A 99 11.122 8.915 -2.822 1.00 0.00 O ATOM 1499 CB GLU A 99 12.420 7.039 -0.210 1.00 0.00 C ATOM 1500 CG GLU A 99 12.438 7.381 1.271 1.00 0.00 C ATOM 1501 CD GLU A 99 13.843 7.546 1.814 1.00 0.00 C ATOM 1502 OE1 GLU A 99 14.431 8.631 1.622 1.00 0.00 O ATOM 1503 OE2 GLU A 99 14.355 6.590 2.433 1.00 0.00 O ATOM 0 H GLU A 99 10.304 5.711 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 99 10.711 8.325 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.564 5.965 -0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.263 7.529 -0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.879 8.302 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.927 6.595 1.828 1.00 0.00 H new ATOM 1510 N SER A 100 12.016 6.869 -3.099 1.00 0.00 N ATOM 1511 CA SER A 100 12.357 7.087 -4.500 1.00 0.00 C ATOM 1512 C SER A 100 11.173 7.675 -5.262 1.00 0.00 C ATOM 1513 O SER A 100 11.349 8.441 -6.211 1.00 0.00 O ATOM 1514 CB SER A 100 12.796 5.774 -5.151 1.00 0.00 C ATOM 1515 OG SER A 100 14.108 5.420 -4.750 1.00 0.00 O ATOM 0 H SER A 100 12.270 5.948 -2.742 1.00 0.00 H new ATOM 0 HA SER A 100 13.182 7.798 -4.541 1.00 0.00 H new ATOM 0 HB2 SER A 100 12.102 4.979 -4.878 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.758 5.872 -6.236 1.00 0.00 H new ATOM 0 HG SER A 100 14.365 4.577 -5.178 1.00 0.00 H new ATOM 1521 N LEU A 101 9.967 7.312 -4.841 1.00 0.00 N ATOM 1522 CA LEU A 101 8.752 7.802 -5.482 1.00 0.00 C ATOM 1523 C LEU A 101 8.193 9.010 -4.738 1.00 0.00 C ATOM 1524 O LEU A 101 6.978 9.181 -4.633 1.00 0.00 O ATOM 1525 CB LEU A 101 7.700 6.693 -5.541 1.00 0.00 C ATOM 1526 CG LEU A 101 7.774 5.761 -6.751 1.00 0.00 C ATOM 1527 CD1 LEU A 101 7.057 4.452 -6.460 1.00 0.00 C ATOM 1528 CD2 LEU A 101 7.181 6.434 -7.980 1.00 0.00 C ATOM 0 H LEU A 101 9.804 6.679 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 101 9.005 8.109 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.786 6.090 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.713 7.155 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 101 8.822 5.541 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.120 3.801 -7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.526 3.962 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.010 4.653 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.242 5.756 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.137 6.684 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.738 7.345 -8.201 1.00 0.00 H new ATOM 1540 N LEU A 102 9.087 9.848 -4.225 1.00 0.00 N ATOM 1541 CA LEU A 102 8.684 11.043 -3.492 1.00 0.00 C ATOM 1542 C LEU A 102 8.079 12.080 -4.433 1.00 0.00 C ATOM 1543 O LEU A 102 8.304 12.043 -5.643 1.00 0.00 O ATOM 1544 CB LEU A 102 9.883 11.644 -2.757 1.00 0.00 C ATOM 1545 CG LEU A 102 10.121 11.137 -1.334 1.00 0.00 C ATOM 1546 CD1 LEU A 102 11.549 11.422 -0.897 1.00 0.00 C ATOM 1547 CD2 LEU A 102 9.129 11.770 -0.369 1.00 0.00 C ATOM 0 H LEU A 102 10.096 9.722 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 102 7.927 10.754 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.780 11.449 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.756 12.726 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 102 9.969 10.058 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.699 11.054 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.243 10.920 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.730 12.497 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.313 11.398 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.249 12.853 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.114 11.513 -0.671 1.00 0.00 H new ATOM 1559 N SER A 103 7.311 13.007 -3.869 1.00 0.00 N ATOM 1560 CA SER A 103 6.672 14.054 -4.657 1.00 0.00 C ATOM 1561 C SER A 103 5.785 13.452 -5.743 1.00 0.00 C ATOM 1562 O SER A 103 5.812 13.888 -6.893 1.00 0.00 O ATOM 1563 CB SER A 103 7.728 14.962 -5.290 1.00 0.00 C ATOM 1564 OG SER A 103 8.156 15.960 -4.379 1.00 0.00 O ATOM 0 H SER A 103 7.116 13.054 -2.869 1.00 0.00 H new ATOM 0 HA SER A 103 6.047 14.647 -3.989 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.583 14.365 -5.607 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.319 15.433 -6.184 1.00 0.00 H new ATOM 0 HG SER A 103 8.832 16.526 -4.807 1.00 0.00 H new ATOM 1570 N GLU A 104 5.000 12.447 -5.367 1.00 0.00 N ATOM 1571 CA GLU A 104 4.106 11.784 -6.309 1.00 0.00 C ATOM 1572 C GLU A 104 3.207 10.781 -5.592 1.00 0.00 C ATOM 1573 O GLU A 104 3.525 10.288 -4.509 1.00 0.00 O ATOM 1574 CB GLU A 104 4.912 11.075 -7.399 1.00 0.00 C ATOM 1575 CG GLU A 104 6.132 10.338 -6.872 1.00 0.00 C ATOM 1576 CD GLU A 104 7.258 10.274 -7.886 1.00 0.00 C ATOM 1577 OE1 GLU A 104 6.979 9.970 -9.064 1.00 0.00 O ATOM 1578 OE2 GLU A 104 8.418 10.527 -7.499 1.00 0.00 O ATOM 0 H GLU A 104 4.965 12.075 -4.418 1.00 0.00 H new ATOM 0 HA GLU A 104 3.477 12.545 -6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.264 10.366 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.233 11.810 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.489 10.833 -5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.846 9.325 -6.588 1.00 0.00 H new ATOM 1585 N PRO A 105 2.057 10.471 -6.208 1.00 0.00 N ATOM 1586 CA PRO A 105 1.088 9.524 -5.648 1.00 0.00 C ATOM 1587 C PRO A 105 1.601 8.088 -5.670 1.00 0.00 C ATOM 1588 O PRO A 105 1.349 7.344 -6.617 1.00 0.00 O ATOM 1589 CB PRO A 105 -0.126 9.673 -6.568 1.00 0.00 C ATOM 1590 CG PRO A 105 0.435 10.159 -7.860 1.00 0.00 C ATOM 1591 CD PRO A 105 1.614 11.020 -7.501 1.00 0.00 C ATOM 0 HA PRO A 105 0.874 9.732 -4.600 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.646 8.723 -6.694 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.848 10.380 -6.159 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.739 9.325 -8.492 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.308 10.728 -8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.400 10.959 -8.254 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.334 12.070 -7.417 1.00 0.00 H new ATOM 1599 N MET A 106 2.321 7.705 -4.621 1.00 0.00 N ATOM 1600 CA MET A 106 2.868 6.357 -4.520 1.00 0.00 C ATOM 1601 C MET A 106 1.802 5.372 -4.052 1.00 0.00 C ATOM 1602 O MET A 106 1.718 4.249 -4.551 1.00 0.00 O ATOM 1603 CB MET A 106 4.057 6.336 -3.557 1.00 0.00 C ATOM 1604 CG MET A 106 3.720 6.846 -2.166 1.00 0.00 C ATOM 1605 SD MET A 106 5.168 6.949 -1.095 1.00 0.00 S ATOM 1606 CE MET A 106 5.956 8.425 -1.732 1.00 0.00 C ATOM 0 H MET A 106 2.539 8.309 -3.829 1.00 0.00 H new ATOM 0 HA MET A 106 3.207 6.054 -5.511 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.434 5.316 -3.480 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.862 6.943 -3.973 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.261 7.831 -2.246 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.982 6.186 -1.710 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.365 9.005 -0.905 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.761 8.144 -2.411 1.00 0.00 H new ATOM 0 HE3 MET A 106 5.222 9.027 -2.268 1.00 0.00 H new ATOM 1616 N VAL A 107 0.989 5.799 -3.091 1.00 0.00 N ATOM 1617 CA VAL A 107 -0.072 4.954 -2.556 1.00 0.00 C ATOM 1618 C VAL A 107 -0.648 4.045 -3.636 1.00 0.00 C ATOM 1619 O VAL A 107 -0.680 2.823 -3.482 1.00 0.00 O ATOM 1620 CB VAL A 107 -1.210 5.798 -1.951 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -2.295 4.899 -1.378 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.667 6.737 -0.885 1.00 0.00 C ATOM 0 H VAL A 107 1.045 6.725 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 107 0.375 4.343 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.653 6.401 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.090 5.513 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.703 4.271 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.870 4.268 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.484 7.326 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.198 6.155 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.071 7.405 -1.330 1.00 0.00 H new ATOM 1632 N HIS A 108 -1.101 4.648 -4.730 1.00 0.00 N ATOM 1633 CA HIS A 108 -1.675 3.892 -5.838 1.00 0.00 C ATOM 1634 C HIS A 108 -0.627 2.988 -6.479 1.00 0.00 C ATOM 1635 O HIS A 108 -0.737 1.763 -6.430 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.255 4.843 -6.886 1.00 0.00 C ATOM 1637 CG HIS A 108 -2.908 4.140 -8.035 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -2.887 4.627 -9.325 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -3.603 2.980 -8.084 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -3.542 3.798 -10.118 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -3.986 2.789 -9.389 1.00 0.00 N ATOM 0 H HIS A 108 -1.082 5.658 -4.873 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.476 3.267 -5.443 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -2.985 5.496 -6.408 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.458 5.481 -7.267 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.817 2.326 -7.252 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.689 3.923 -11.181 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -4.525 1.997 -9.739 1.00 0.00 H new ATOM 1650 N GLU A 109 0.388 3.600 -7.080 1.00 0.00 N ATOM 1651 CA GLU A 109 1.455 2.849 -7.733 1.00 0.00 C ATOM 1652 C GLU A 109 1.826 1.613 -6.918 1.00 0.00 C ATOM 1653 O GLU A 109 1.723 0.484 -7.400 1.00 0.00 O ATOM 1654 CB GLU A 109 2.687 3.734 -7.927 1.00 0.00 C ATOM 1655 CG GLU A 109 2.633 4.585 -9.185 1.00 0.00 C ATOM 1656 CD GLU A 109 2.919 3.787 -10.442 1.00 0.00 C ATOM 1657 OE1 GLU A 109 3.803 2.907 -10.398 1.00 0.00 O ATOM 1658 OE2 GLU A 109 2.256 4.043 -11.470 1.00 0.00 O ATOM 0 H GLU A 109 0.494 4.613 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 109 1.093 2.525 -8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.795 4.387 -7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.575 3.103 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.648 5.044 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.356 5.396 -9.102 1.00 0.00 H new ATOM 1665 N LEU A 110 2.259 1.835 -5.682 1.00 0.00 N ATOM 1666 CA LEU A 110 2.647 0.740 -4.799 1.00 0.00 C ATOM 1667 C LEU A 110 1.627 -0.393 -4.856 1.00 0.00 C ATOM 1668 O LEU A 110 1.963 -1.529 -5.191 1.00 0.00 O ATOM 1669 CB LEU A 110 2.788 1.243 -3.362 1.00 0.00 C ATOM 1670 CG LEU A 110 3.719 2.439 -3.157 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.289 3.249 -1.944 1.00 0.00 C ATOM 1672 CD2 LEU A 110 5.160 1.972 -3.005 1.00 0.00 C ATOM 0 H LEU A 110 2.350 2.763 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 110 3.609 0.356 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.798 1.512 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.146 0.420 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 110 3.656 3.080 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.963 4.096 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.273 3.614 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.323 2.619 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.809 2.836 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.239 1.310 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.465 1.436 -3.903 1.00 0.00 H new ATOM 1684 N VAL A 111 0.379 -0.075 -4.529 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.692 -1.065 -4.546 1.00 0.00 C ATOM 1686 C VAL A 111 -0.560 -1.996 -5.745 1.00 0.00 C ATOM 1687 O VAL A 111 -0.708 -3.213 -5.620 1.00 0.00 O ATOM 1688 CB VAL A 111 -2.077 -0.393 -4.581 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -3.177 -1.440 -4.674 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -2.272 0.489 -3.357 1.00 0.00 C ATOM 0 H VAL A 111 0.084 0.860 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.602 -1.645 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.133 0.238 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.148 -0.946 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.046 -2.026 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.126 -2.099 -3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.256 0.956 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.196 -0.118 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.504 1.262 -3.340 1.00 0.00 H new ATOM 1700 N LEU A 112 -0.280 -1.418 -6.908 1.00 0.00 N ATOM 1701 CA LEU A 112 -0.128 -2.196 -8.132 1.00 0.00 C ATOM 1702 C LEU A 112 1.214 -2.922 -8.153 1.00 0.00 C ATOM 1703 O LEU A 112 1.291 -4.095 -8.518 1.00 0.00 O ATOM 1704 CB LEU A 112 -0.247 -1.286 -9.357 1.00 0.00 C ATOM 1705 CG LEU A 112 -1.572 -0.539 -9.511 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -1.416 0.632 -10.469 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -2.664 -1.483 -9.992 1.00 0.00 C ATOM 0 H LEU A 112 -0.154 -0.413 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.924 -2.940 -8.161 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.558 -0.553 -9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.087 -1.890 -10.250 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.862 -0.148 -8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.369 1.152 -10.566 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.665 1.321 -10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.102 0.264 -11.446 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.600 -0.934 -10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.382 -1.905 -10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.794 -2.288 -9.268 1.00 0.00 H new ATOM 1719 N TRP A 113 2.267 -2.217 -7.756 1.00 0.00 N ATOM 1720 CA TRP A 113 3.606 -2.796 -7.726 1.00 0.00 C ATOM 1721 C TRP A 113 3.629 -4.073 -6.894 1.00 0.00 C ATOM 1722 O TRP A 113 4.087 -5.118 -7.357 1.00 0.00 O ATOM 1723 CB TRP A 113 4.608 -1.786 -7.163 1.00 0.00 C ATOM 1724 CG TRP A 113 5.957 -2.378 -6.888 1.00 0.00 C ATOM 1725 CD1 TRP A 113 6.868 -2.806 -7.812 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.546 -2.610 -5.604 1.00 0.00 C ATOM 1727 NE1 TRP A 113 7.988 -3.289 -7.179 1.00 0.00 N ATOM 1728 CE2 TRP A 113 7.816 -3.179 -5.824 1.00 0.00 C ATOM 1729 CE3 TRP A 113 6.126 -2.390 -4.289 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 8.665 -3.531 -4.779 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 6.970 -2.740 -3.253 1.00 0.00 C ATOM 1732 CH2 TRP A 113 8.228 -3.304 -3.502 1.00 0.00 C ATOM 0 H TRP A 113 2.220 -1.245 -7.451 1.00 0.00 H new ATOM 0 HA TRP A 113 3.889 -3.047 -8.748 1.00 0.00 H new ATOM 0 HB2 TRP A 113 4.718 -0.962 -7.868 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.209 -1.365 -6.240 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.728 -2.770 -8.882 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.814 -3.668 -7.643 1.00 0.00 H new ATOM 0 HE3 TRP A 113 5.159 -1.954 -4.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 9.634 -3.968 -4.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 6.655 -2.576 -2.233 1.00 0.00 H new ATOM 0 HH2 TRP A 113 8.865 -3.565 -2.670 1.00 0.00 H new ATOM 1743 N ILE A 114 3.134 -3.981 -5.664 1.00 0.00 N ATOM 1744 CA ILE A 114 3.097 -5.131 -4.769 1.00 0.00 C ATOM 1745 C ILE A 114 2.137 -6.198 -5.283 1.00 0.00 C ATOM 1746 O ILE A 114 2.454 -7.387 -5.275 1.00 0.00 O ATOM 1747 CB ILE A 114 2.676 -4.722 -3.345 1.00 0.00 C ATOM 1748 CG1 ILE A 114 2.734 -5.928 -2.406 1.00 0.00 C ATOM 1749 CG2 ILE A 114 1.279 -4.120 -3.357 1.00 0.00 C ATOM 1750 CD1 ILE A 114 4.143 -6.379 -2.087 1.00 0.00 C ATOM 0 H ILE A 114 2.753 -3.123 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 114 4.107 -5.539 -4.738 1.00 0.00 H new ATOM 0 HB ILE A 114 3.372 -3.967 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.222 -5.679 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.190 -6.757 -2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.996 -3.836 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.268 -3.238 -3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.570 -4.854 -3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.107 -7.238 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.653 -6.659 -3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.685 -5.565 -1.606 1.00 0.00 H new ATOM 1762 N GLN A 115 0.963 -5.764 -5.732 1.00 0.00 N ATOM 1763 CA GLN A 115 -0.042 -6.683 -6.251 1.00 0.00 C ATOM 1764 C GLN A 115 0.588 -7.703 -7.194 1.00 0.00 C ATOM 1765 O GLN A 115 0.290 -8.895 -7.121 1.00 0.00 O ATOM 1766 CB GLN A 115 -1.143 -5.909 -6.980 1.00 0.00 C ATOM 1767 CG GLN A 115 -2.295 -5.496 -6.078 1.00 0.00 C ATOM 1768 CD GLN A 115 -3.244 -4.525 -6.752 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -2.925 -3.947 -7.791 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -4.420 -4.342 -6.162 1.00 0.00 N ATOM 0 H GLN A 115 0.685 -4.783 -5.747 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.480 -7.217 -5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.710 -5.017 -7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.531 -6.524 -7.792 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.847 -6.384 -5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.897 -5.039 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.642 -4.842 -5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -5.101 -3.701 -6.570 1.00 0.00 H new ATOM 1779 N GLN A 116 1.458 -7.226 -8.078 1.00 0.00 N ATOM 1780 CA GLN A 116 2.128 -8.097 -9.036 1.00 0.00 C ATOM 1781 C GLN A 116 3.414 -8.667 -8.446 1.00 0.00 C ATOM 1782 O GLN A 116 3.681 -9.863 -8.554 1.00 0.00 O ATOM 1783 CB GLN A 116 2.440 -7.331 -10.323 1.00 0.00 C ATOM 1784 CG GLN A 116 1.312 -7.369 -11.342 1.00 0.00 C ATOM 1785 CD GLN A 116 0.902 -8.782 -11.706 1.00 0.00 C ATOM 1786 OE1 GLN A 116 1.709 -9.711 -11.643 1.00 0.00 O ATOM 1787 NE2 GLN A 116 -0.357 -8.953 -12.091 1.00 0.00 N ATOM 0 H GLN A 116 1.715 -6.242 -8.151 1.00 0.00 H new ATOM 0 HA GLN A 116 1.457 -8.924 -9.267 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.659 -6.293 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.341 -7.747 -10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.449 -6.836 -10.943 1.00 0.00 H new ATOM 0 HG3 GLN A 116 1.624 -6.842 -12.243 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.992 -8.155 -12.129 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -0.690 -9.882 -12.349 1.00 0.00 H new ATOM 1796 N ASN A 117 4.207 -7.803 -7.822 1.00 0.00 N ATOM 1797 CA ASN A 117 5.466 -8.221 -7.216 1.00 0.00 C ATOM 1798 C ASN A 117 5.251 -8.676 -5.775 1.00 0.00 C ATOM 1799 O ASN A 117 6.078 -8.414 -4.900 1.00 0.00 O ATOM 1800 CB ASN A 117 6.480 -7.076 -7.255 1.00 0.00 C ATOM 1801 CG ASN A 117 6.791 -6.627 -8.670 1.00 0.00 C ATOM 1802 OD1 ASN A 117 7.871 -6.896 -9.195 1.00 0.00 O ATOM 1803 ND2 ASN A 117 5.842 -5.938 -9.294 1.00 0.00 N ATOM 0 H ASN A 117 4.000 -6.809 -7.723 1.00 0.00 H new ATOM 0 HA ASN A 117 5.855 -9.062 -7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.092 -6.231 -6.686 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.401 -7.393 -6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 117 5.994 -5.609 -10.247 1.00 0.00 H new ATOM 0 HD22 ASN A 117 4.961 -5.738 -8.820 1.00 0.00 H new ATOM 1810 N LEU A 118 4.137 -9.358 -5.536 1.00 0.00 N ATOM 1811 CA LEU A 118 3.813 -9.851 -4.202 1.00 0.00 C ATOM 1812 C LEU A 118 4.707 -11.027 -3.823 1.00 0.00 C ATOM 1813 O LEU A 118 5.154 -11.137 -2.682 1.00 0.00 O ATOM 1814 CB LEU A 118 2.343 -10.270 -4.135 1.00 0.00 C ATOM 1815 CG LEU A 118 1.748 -10.408 -2.733 1.00 0.00 C ATOM 1816 CD1 LEU A 118 2.537 -11.419 -1.915 1.00 0.00 C ATOM 1817 CD2 LEU A 118 1.718 -9.058 -2.031 1.00 0.00 C ATOM 0 H LEU A 118 3.443 -9.582 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 118 3.987 -9.043 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.752 -9.540 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.234 -11.225 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 118 0.724 -10.769 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.099 -11.504 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.506 -12.390 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.572 -11.089 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.292 -9.175 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.733 -8.669 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.108 -8.362 -2.607 1.00 0.00 H new ATOM 1829 N ARG A 119 4.965 -11.902 -4.790 1.00 0.00 N ATOM 1830 CA ARG A 119 5.807 -13.069 -4.558 1.00 0.00 C ATOM 1831 C ARG A 119 7.283 -12.715 -4.714 1.00 0.00 C ATOM 1832 O ARG A 119 8.126 -13.162 -3.935 1.00 0.00 O ATOM 1833 CB ARG A 119 5.436 -14.193 -5.528 1.00 0.00 C ATOM 1834 CG ARG A 119 6.481 -15.293 -5.614 1.00 0.00 C ATOM 1835 CD ARG A 119 5.852 -16.633 -5.961 1.00 0.00 C ATOM 1836 NE ARG A 119 5.223 -17.260 -4.801 1.00 0.00 N ATOM 1837 CZ ARG A 119 5.885 -17.992 -3.912 1.00 0.00 C ATOM 1838 NH1 ARG A 119 7.189 -18.188 -4.050 1.00 0.00 N ATOM 1839 NH2 ARG A 119 5.243 -18.529 -2.883 1.00 0.00 N ATOM 0 H ARG A 119 4.603 -11.825 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 119 5.639 -13.409 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 119 4.486 -14.629 -5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.284 -13.769 -6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.224 -15.032 -6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.007 -15.372 -4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 119 5.108 -16.492 -6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 119 6.616 -17.299 -6.363 1.00 0.00 H new ATOM 0 HE ARG A 119 4.221 -17.128 -4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 119 7.686 -17.776 -4.840 1.00 0.00 H new ATOM 0 HH12 ARG A 119 7.695 -18.750 -3.366 1.00 0.00 H new ATOM 0 HH21 ARG A 119 4.240 -18.380 -2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 119 5.752 -19.091 -2.201 1.00 0.00 H new ATOM 1853 N HIS A 120 7.589 -11.909 -5.726 1.00 0.00 N ATOM 1854 CA HIS A 120 8.963 -11.494 -5.984 1.00 0.00 C ATOM 1855 C HIS A 120 9.608 -10.931 -4.720 1.00 0.00 C ATOM 1856 O HIS A 120 10.808 -11.092 -4.500 1.00 0.00 O ATOM 1857 CB HIS A 120 9.002 -10.449 -7.099 1.00 0.00 C ATOM 1858 CG HIS A 120 8.528 -10.967 -8.422 1.00 0.00 C ATOM 1859 ND1 HIS A 120 8.886 -12.202 -8.919 1.00 0.00 N ATOM 1860 CD2 HIS A 120 7.718 -10.409 -9.352 1.00 0.00 C ATOM 1861 CE1 HIS A 120 8.318 -12.382 -10.098 1.00 0.00 C ATOM 1862 NE2 HIS A 120 7.603 -11.308 -10.384 1.00 0.00 N ATOM 0 H HIS A 120 6.904 -11.531 -6.380 1.00 0.00 H new ATOM 0 HA HIS A 120 9.528 -12.372 -6.299 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.386 -9.598 -6.810 1.00 0.00 H new ATOM 0 HB3 HIS A 120 10.023 -10.082 -7.206 1.00 0.00 H new ATOM 0 HD2 HIS A 120 7.249 -9.438 -9.293 1.00 0.00 H new ATOM 0 HE1 HIS A 120 8.420 -13.258 -10.722 1.00 0.00 H new ATOM 0 HE2 HIS A 120 7.055 -11.169 -11.233 1.00 0.00 H new ATOM 1871 N ILE A 121 8.802 -10.270 -3.896 1.00 0.00 N ATOM 1872 CA ILE A 121 9.294 -9.684 -2.655 1.00 0.00 C ATOM 1873 C ILE A 121 9.535 -10.757 -1.598 1.00 0.00 C ATOM 1874 O ILE A 121 10.593 -10.796 -0.968 1.00 0.00 O ATOM 1875 CB ILE A 121 8.309 -8.641 -2.096 1.00 0.00 C ATOM 1876 CG1 ILE A 121 8.192 -7.453 -3.053 1.00 0.00 C ATOM 1877 CG2 ILE A 121 8.756 -8.175 -0.718 1.00 0.00 C ATOM 1878 CD1 ILE A 121 7.062 -6.508 -2.710 1.00 0.00 C ATOM 0 H ILE A 121 7.806 -10.127 -4.065 1.00 0.00 H new ATOM 0 HA ILE A 121 10.237 -9.191 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 121 7.327 -9.105 -2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 121 9.131 -6.900 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 121 8.047 -7.827 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 121 8.050 -7.438 -0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.793 -9.028 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 121 9.746 -7.725 -0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 121 7.040 -5.691 -3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 121 6.115 -7.046 -2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.216 -6.105 -1.709 1.00 0.00 H new ATOM 1890 N LEU A 122 8.549 -11.626 -1.410 1.00 0.00 N ATOM 1891 CA LEU A 122 8.654 -12.702 -0.430 1.00 0.00 C ATOM 1892 C LEU A 122 9.723 -13.710 -0.841 1.00 0.00 C ATOM 1893 O LEU A 122 10.697 -13.924 -0.119 1.00 0.00 O ATOM 1894 CB LEU A 122 7.306 -13.408 -0.272 1.00 0.00 C ATOM 1895 CG LEU A 122 6.374 -12.843 0.800 1.00 0.00 C ATOM 1896 CD1 LEU A 122 5.994 -11.407 0.475 1.00 0.00 C ATOM 1897 CD2 LEU A 122 5.130 -13.708 0.936 1.00 0.00 C ATOM 0 H LEU A 122 7.667 -11.607 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 122 8.942 -12.263 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 122 6.787 -13.375 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.493 -14.458 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 122 6.903 -12.850 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.330 -11.022 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 122 6.894 -10.794 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 122 5.485 -11.374 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 122 4.479 -13.290 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 122 4.599 -13.734 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 122 5.420 -14.720 1.218 1.00 0.00 H new ATOM 1909 N SER A 123 9.535 -14.324 -2.004 1.00 0.00 N ATOM 1910 CA SER A 123 10.482 -15.310 -2.510 1.00 0.00 C ATOM 1911 C SER A 123 11.909 -14.947 -2.112 1.00 0.00 C ATOM 1912 O SER A 123 12.609 -15.738 -1.480 1.00 0.00 O ATOM 1913 CB SER A 123 10.377 -15.416 -4.033 1.00 0.00 C ATOM 1914 OG SER A 123 9.178 -16.066 -4.417 1.00 0.00 O ATOM 0 H SER A 123 8.735 -14.156 -2.614 1.00 0.00 H new ATOM 0 HA SER A 123 10.234 -16.275 -2.068 1.00 0.00 H new ATOM 0 HB2 SER A 123 10.411 -14.419 -4.473 1.00 0.00 H new ATOM 0 HB3 SER A 123 11.234 -15.966 -4.422 1.00 0.00 H new ATOM 0 HG SER A 123 9.381 -16.768 -5.070 1.00 0.00 H new ATOM 1920 N GLN A 124 12.333 -13.744 -2.486 1.00 0.00 N ATOM 1921 CA GLN A 124 13.677 -13.275 -2.169 1.00 0.00 C ATOM 1922 C GLN A 124 13.853 -13.107 -0.663 1.00 0.00 C ATOM 1923 O GLN A 124 12.937 -12.701 0.052 1.00 0.00 O ATOM 1924 CB GLN A 124 13.959 -11.950 -2.879 1.00 0.00 C ATOM 1925 CG GLN A 124 13.045 -10.818 -2.439 1.00 0.00 C ATOM 1926 CD GLN A 124 13.362 -9.509 -3.135 1.00 0.00 C ATOM 1927 OE1 GLN A 124 14.083 -8.667 -2.599 1.00 0.00 O ATOM 1928 NE2 GLN A 124 12.823 -9.330 -4.335 1.00 0.00 N ATOM 0 H GLN A 124 11.766 -13.077 -3.009 1.00 0.00 H new ATOM 0 HA GLN A 124 14.388 -14.024 -2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 124 14.994 -11.662 -2.696 1.00 0.00 H new ATOM 0 HB3 GLN A 124 13.854 -12.094 -3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 124 12.010 -11.092 -2.642 1.00 0.00 H new ATOM 0 HG3 GLN A 124 13.133 -10.683 -1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 124 12.231 -10.055 -4.742 1.00 0.00 H new ATOM 0 HE22 GLN A 124 13.001 -8.468 -4.850 1.00 0.00 H new ATOM 1937 N PRO A 125 15.059 -13.424 -0.169 1.00 0.00 N ATOM 1938 CA PRO A 125 15.384 -13.316 1.256 1.00 0.00 C ATOM 1939 C PRO A 125 15.466 -11.866 1.723 1.00 0.00 C ATOM 1940 O PRO A 125 15.452 -10.942 0.911 1.00 0.00 O ATOM 1941 CB PRO A 125 16.754 -13.989 1.360 1.00 0.00 C ATOM 1942 CG PRO A 125 17.350 -13.849 0.002 1.00 0.00 C ATOM 1943 CD PRO A 125 16.198 -13.914 -0.963 1.00 0.00 C ATOM 0 HA PRO A 125 14.620 -13.775 1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 125 17.375 -13.508 2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 125 16.660 -15.037 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.887 -12.905 -0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 125 18.068 -14.645 -0.193 1.00 0.00 H new ATOM 0 HD2 PRO A 125 16.373 -13.292 -1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 125 16.031 -14.930 -1.321 1.00 0.00 H new ATOM 1951 N GLU A 126 15.552 -11.676 3.036 1.00 0.00 N ATOM 1952 CA GLU A 126 15.636 -10.338 3.610 1.00 0.00 C ATOM 1953 C GLU A 126 16.939 -10.158 4.383 1.00 0.00 C ATOM 1954 O GLU A 126 17.608 -11.132 4.730 1.00 0.00 O ATOM 1955 CB GLU A 126 14.443 -10.079 4.533 1.00 0.00 C ATOM 1956 CG GLU A 126 14.343 -11.060 5.689 1.00 0.00 C ATOM 1957 CD GLU A 126 13.049 -10.917 6.465 1.00 0.00 C ATOM 1958 OE1 GLU A 126 12.854 -9.862 7.104 1.00 0.00 O ATOM 1959 OE2 GLU A 126 12.230 -11.860 6.434 1.00 0.00 O ATOM 0 H GLU A 126 15.565 -12.431 3.722 1.00 0.00 H new ATOM 0 HA GLU A 126 15.617 -9.618 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 126 14.516 -9.067 4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 126 13.525 -10.126 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 126 14.422 -12.077 5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 126 15.186 -10.908 6.364 1.00 0.00 H new ATOM 1966 N THR A 127 17.295 -8.905 4.648 1.00 0.00 N ATOM 1967 CA THR A 127 18.518 -8.596 5.378 1.00 0.00 C ATOM 1968 C THR A 127 18.300 -8.694 6.883 1.00 0.00 C ATOM 1969 O THR A 127 17.375 -8.091 7.427 1.00 0.00 O ATOM 1970 CB THR A 127 19.035 -7.186 5.036 1.00 0.00 C ATOM 1971 OG1 THR A 127 19.250 -7.072 3.625 1.00 0.00 O ATOM 1972 CG2 THR A 127 20.330 -6.890 5.777 1.00 0.00 C ATOM 0 H THR A 127 16.753 -8.087 4.368 1.00 0.00 H new ATOM 0 HA THR A 127 19.262 -9.332 5.073 1.00 0.00 H new ATOM 0 HB THR A 127 18.283 -6.462 5.348 1.00 0.00 H new ATOM 0 HG1 THR A 127 19.577 -6.172 3.416 1.00 0.00 H new ATOM 0 HG21 THR A 127 20.676 -5.889 5.520 1.00 0.00 H new ATOM 0 HG22 THR A 127 20.156 -6.949 6.851 1.00 0.00 H new ATOM 0 HG23 THR A 127 21.087 -7.620 5.492 1.00 0.00 H new ATOM 1980 N GLY A 128 19.158 -9.457 7.553 1.00 0.00 N ATOM 1981 CA GLY A 128 19.042 -9.619 8.991 1.00 0.00 C ATOM 1982 C GLY A 128 19.901 -10.751 9.518 1.00 0.00 C ATOM 1983 O GLY A 128 20.706 -10.556 10.429 1.00 0.00 O ATOM 0 H GLY A 128 19.932 -9.966 7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 128 19.330 -8.690 9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 128 18.000 -9.807 9.249 1.00 0.00 H new TER 1987 GLY A 128