USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 749 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 57 ASN : amide:sc= 0.527 X(o=0.35,f=-0.014) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.179 X(o=0.35,f=-0.014) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -176:sc= 0.166 (180deg=0) USER MOD Set 2.2: A 29 GLN : amide:sc= -1.88 K(o=-1.7,f=-8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -2.57 K(o=-2.6,f=-5.4!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0154 K(o=-0.015,f=-1.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 54 ASN : amide:sc= -2.44 K(o=-2.4,f=-8.4!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 89:sc= 0.493 USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= -0.314 (180deg=-2.42!) USER MOD Single : A 64 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.12) USER MOD Single : A 65 SER OG : rot -139:sc= -0.787 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.0833 F(o=-0.63,f=-0.083) USER MOD Single : A 70 SER OG : rot 180:sc= -0.318 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= -0.0617 (180deg=-0.0617) USER MOD Single : A 73 TYR OH : rot -123:sc= 0.0164 USER MOD Single : A 80 LYS NZ :NH3+ -161:sc= -0.317 (180deg=-0.42) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.117 -8.792 -12.305 1.00 0.00 N ATOM 2 CA GLY A 1 -18.770 -8.913 -11.686 1.00 0.00 C ATOM 3 C GLY A 1 -18.832 -9.454 -10.269 1.00 0.00 C ATOM 4 O GLY A 1 -18.992 -8.685 -9.319 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.023 -8.419 -13.271 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.569 -9.728 -12.338 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.702 -8.145 -11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.150 -9.570 -12.296 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.287 -7.936 -11.678 1.00 0.00 H new ATOM 10 N PRO A 2 -18.710 -10.786 -10.094 1.00 0.00 N ATOM 11 CA PRO A 2 -18.758 -11.423 -8.770 1.00 0.00 C ATOM 12 C PRO A 2 -17.554 -11.066 -7.899 1.00 0.00 C ATOM 13 O PRO A 2 -16.445 -10.876 -8.400 1.00 0.00 O ATOM 14 CB PRO A 2 -18.762 -12.920 -9.092 1.00 0.00 C ATOM 15 CG PRO A 2 -18.127 -13.021 -10.435 1.00 0.00 C ATOM 16 CD PRO A 2 -18.522 -11.773 -11.173 1.00 0.00 C ATOM 0 HA PRO A 2 -19.625 -11.094 -8.197 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -18.204 -13.487 -8.347 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -19.776 -13.320 -9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -17.043 -13.098 -10.350 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -18.469 -13.911 -10.963 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.749 -11.459 -11.875 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -19.436 -11.918 -11.749 1.00 0.00 H new ATOM 24 N GLY A 3 -17.788 -10.981 -6.590 1.00 0.00 N ATOM 25 CA GLY A 3 -16.724 -10.650 -5.656 1.00 0.00 C ATOM 26 C GLY A 3 -17.217 -10.586 -4.221 1.00 0.00 C ATOM 27 O GLY A 3 -17.480 -11.624 -3.614 1.00 0.00 O ATOM 0 H GLY A 3 -18.699 -11.136 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -15.931 -11.394 -5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -16.287 -9.690 -5.931 1.00 0.00 H new ATOM 31 N PRO A 4 -17.356 -9.374 -3.646 1.00 0.00 N ATOM 32 CA PRO A 4 -17.823 -9.192 -2.270 1.00 0.00 C ATOM 33 C PRO A 4 -19.342 -9.302 -2.150 1.00 0.00 C ATOM 34 O PRO A 4 -20.062 -9.217 -3.147 1.00 0.00 O ATOM 35 CB PRO A 4 -17.368 -7.767 -1.910 1.00 0.00 C ATOM 36 CG PRO A 4 -16.648 -7.238 -3.112 1.00 0.00 C ATOM 37 CD PRO A 4 -17.071 -8.083 -4.278 1.00 0.00 C ATOM 0 HA PRO A 4 -17.423 -9.961 -1.609 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -18.222 -7.138 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.714 -7.777 -1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -16.898 -6.191 -3.283 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.569 -7.289 -2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -17.948 -7.674 -4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -16.284 -8.163 -5.028 1.00 0.00 H new ATOM 45 N ALA A 5 -19.821 -9.481 -0.920 1.00 0.00 N ATOM 46 CA ALA A 5 -21.254 -9.592 -0.657 1.00 0.00 C ATOM 47 C ALA A 5 -21.676 -8.689 0.505 1.00 0.00 C ATOM 48 O ALA A 5 -22.626 -8.997 1.229 1.00 0.00 O ATOM 49 CB ALA A 5 -21.625 -11.041 -0.371 1.00 0.00 C ATOM 0 H ALA A 5 -19.235 -9.552 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 5 -21.789 -9.261 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -22.695 -11.111 -0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -21.372 -11.658 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -21.074 -11.392 0.501 1.00 0.00 H new ATOM 55 N ILE A 6 -20.965 -7.571 0.680 1.00 0.00 N ATOM 56 CA ILE A 6 -21.265 -6.628 1.754 1.00 0.00 C ATOM 57 C ILE A 6 -21.439 -5.205 1.217 1.00 0.00 C ATOM 58 O ILE A 6 -22.469 -4.572 1.458 1.00 0.00 O ATOM 59 CB ILE A 6 -20.162 -6.634 2.835 1.00 0.00 C ATOM 60 CG1 ILE A 6 -19.864 -8.067 3.287 1.00 0.00 C ATOM 61 CG2 ILE A 6 -20.579 -5.776 4.023 1.00 0.00 C ATOM 62 CD1 ILE A 6 -18.622 -8.189 4.143 1.00 0.00 C ATOM 0 H ILE A 6 -20.178 -7.300 0.090 1.00 0.00 H new ATOM 0 HA ILE A 6 -22.203 -6.954 2.204 1.00 0.00 H new ATOM 0 HB ILE A 6 -19.253 -6.212 2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -20.719 -8.447 3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -19.752 -8.700 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -19.791 -5.790 4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -20.745 -4.751 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -21.499 -6.172 4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -18.475 -9.232 4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -17.756 -7.840 3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -18.739 -7.583 5.042 1.00 0.00 H new ATOM 74 N GLY A 7 -20.431 -4.703 0.497 1.00 0.00 N ATOM 75 CA GLY A 7 -20.510 -3.355 -0.045 1.00 0.00 C ATOM 76 C GLY A 7 -19.608 -3.128 -1.243 1.00 0.00 C ATOM 77 O GLY A 7 -18.919 -4.043 -1.699 1.00 0.00 O ATOM 0 H GLY A 7 -19.569 -5.203 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.541 -3.148 -0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.248 -2.642 0.737 1.00 0.00 H new ATOM 81 N GLU A 8 -19.619 -1.897 -1.752 1.00 0.00 N ATOM 82 CA GLU A 8 -18.807 -1.529 -2.907 1.00 0.00 C ATOM 83 C GLU A 8 -17.438 -1.015 -2.468 1.00 0.00 C ATOM 84 O GLU A 8 -17.334 -0.248 -1.510 1.00 0.00 O ATOM 85 CB GLU A 8 -19.523 -0.463 -3.741 1.00 0.00 C ATOM 86 CG GLU A 8 -20.824 -0.948 -4.359 1.00 0.00 C ATOM 87 CD GLU A 8 -22.048 -0.506 -3.578 1.00 0.00 C ATOM 88 OE1 GLU A 8 -22.328 -1.110 -2.521 1.00 0.00 O ATOM 89 OE2 GLU A 8 -22.728 0.439 -4.027 1.00 0.00 O ATOM 0 H GLU A 8 -20.185 -1.135 -1.379 1.00 0.00 H new ATOM 0 HA GLU A 8 -18.661 -2.420 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.730 0.402 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.856 -0.126 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -20.897 -0.575 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -20.810 -2.036 -4.417 1.00 0.00 H new ATOM 96 N VAL A 9 -16.392 -1.446 -3.174 1.00 0.00 N ATOM 97 CA VAL A 9 -15.026 -1.031 -2.852 1.00 0.00 C ATOM 98 C VAL A 9 -14.338 -0.393 -4.056 1.00 0.00 C ATOM 99 O VAL A 9 -14.524 -0.825 -5.195 1.00 0.00 O ATOM 100 CB VAL A 9 -14.155 -2.209 -2.350 1.00 0.00 C ATOM 101 CG1 VAL A 9 -13.527 -1.874 -1.006 1.00 0.00 C ATOM 102 CG2 VAL A 9 -14.961 -3.499 -2.259 1.00 0.00 C ATOM 0 H VAL A 9 -16.464 -2.080 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.119 -0.298 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.358 -2.367 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.919 -2.713 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.899 -0.989 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.312 -1.679 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.319 -4.305 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.790 -3.362 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.352 -3.754 -3.244 1.00 0.00 H new ATOM 112 N ILE A 10 -13.537 0.635 -3.786 1.00 0.00 N ATOM 113 CA ILE A 10 -12.803 1.348 -4.828 1.00 0.00 C ATOM 114 C ILE A 10 -11.400 1.723 -4.346 1.00 0.00 C ATOM 115 O ILE A 10 -11.110 1.658 -3.150 1.00 0.00 O ATOM 116 CB ILE A 10 -13.547 2.625 -5.268 1.00 0.00 C ATOM 117 CG1 ILE A 10 -13.978 3.448 -4.050 1.00 0.00 C ATOM 118 CG2 ILE A 10 -14.751 2.268 -6.130 1.00 0.00 C ATOM 119 CD1 ILE A 10 -14.553 4.802 -4.403 1.00 0.00 C ATOM 0 H ILE A 10 -13.379 0.995 -2.845 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.725 0.676 -5.682 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.865 3.233 -5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.721 2.884 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.118 3.588 -3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.265 3.180 -6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.417 1.729 -7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.434 1.639 -5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.835 5.327 -3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.806 5.386 -4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.433 4.671 -5.033 1.00 0.00 H new ATOM 131 N GLY A 11 -10.532 2.113 -5.281 1.00 0.00 N ATOM 132 CA GLY A 11 -9.172 2.488 -4.920 1.00 0.00 C ATOM 133 C GLY A 11 -8.463 3.278 -6.005 1.00 0.00 C ATOM 134 O GLY A 11 -9.100 3.755 -6.946 1.00 0.00 O ATOM 0 H GLY A 11 -10.745 2.176 -6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.196 3.080 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.599 1.587 -4.702 1.00 0.00 H new ATOM 138 N ILE A 12 -7.138 3.424 -5.877 1.00 0.00 N ATOM 139 CA ILE A 12 -6.358 4.165 -6.860 1.00 0.00 C ATOM 140 C ILE A 12 -5.649 3.222 -7.829 1.00 0.00 C ATOM 141 O ILE A 12 -5.505 2.028 -7.560 1.00 0.00 O ATOM 142 CB ILE A 12 -5.306 5.063 -6.180 1.00 0.00 C ATOM 143 CG1 ILE A 12 -4.287 4.198 -5.419 1.00 0.00 C ATOM 144 CG2 ILE A 12 -5.983 6.077 -5.266 1.00 0.00 C ATOM 145 CD1 ILE A 12 -4.252 4.426 -3.921 1.00 0.00 C ATOM 0 H ILE A 12 -6.592 3.039 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.060 4.789 -7.412 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.764 5.623 -6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.511 3.148 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.294 4.390 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.226 6.703 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.657 6.702 -5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.551 5.552 -4.498 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.505 3.773 -3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.995 5.466 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.231 4.204 -3.496 1.00 0.00 H new ATOM 157 N SER A 13 -5.197 3.776 -8.950 1.00 0.00 N ATOM 158 CA SER A 13 -4.486 3.003 -9.963 1.00 0.00 C ATOM 159 C SER A 13 -2.983 3.061 -9.716 1.00 0.00 C ATOM 160 O SER A 13 -2.473 4.059 -9.199 1.00 0.00 O ATOM 161 CB SER A 13 -4.793 3.550 -11.356 1.00 0.00 C ATOM 162 OG SER A 13 -6.118 3.236 -11.751 1.00 0.00 O ATOM 0 H SER A 13 -5.311 4.763 -9.181 1.00 0.00 H new ATOM 0 HA SER A 13 -4.819 1.967 -9.901 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.655 4.631 -11.363 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.088 3.134 -12.076 1.00 0.00 H new ATOM 0 HG SER A 13 -6.288 3.600 -12.645 1.00 0.00 H new ATOM 168 N VAL A 14 -2.267 2.004 -10.108 1.00 0.00 N ATOM 169 CA VAL A 14 -0.819 1.973 -9.938 1.00 0.00 C ATOM 170 C VAL A 14 -0.169 3.048 -10.807 1.00 0.00 C ATOM 171 O VAL A 14 0.942 3.503 -10.526 1.00 0.00 O ATOM 172 CB VAL A 14 -0.213 0.599 -10.280 1.00 0.00 C ATOM 173 CG1 VAL A 14 -0.408 0.271 -11.751 1.00 0.00 C ATOM 174 CG2 VAL A 14 1.263 0.574 -9.907 1.00 0.00 C ATOM 0 H VAL A 14 -2.664 1.169 -10.540 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.617 2.167 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.731 -0.165 -9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.029 -0.704 -11.967 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.473 0.251 -11.981 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.081 1.031 -12.361 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.684 -0.401 -10.152 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.792 1.348 -10.463 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.371 0.758 -8.838 1.00 0.00 H new ATOM 184 N ASN A 15 -0.888 3.460 -11.857 1.00 0.00 N ATOM 185 CA ASN A 15 -0.417 4.494 -12.764 1.00 0.00 C ATOM 186 C ASN A 15 -0.017 5.746 -11.985 1.00 0.00 C ATOM 187 O ASN A 15 0.929 6.442 -12.354 1.00 0.00 O ATOM 188 CB ASN A 15 -1.514 4.839 -13.763 1.00 0.00 C ATOM 189 CG ASN A 15 -0.992 5.576 -14.983 1.00 0.00 C ATOM 190 OD1 ASN A 15 -1.346 6.729 -15.221 1.00 0.00 O ATOM 191 ND2 ASN A 15 -0.149 4.911 -15.767 1.00 0.00 N ATOM 0 H ASN A 15 -1.806 3.084 -12.095 1.00 0.00 H new ATOM 0 HA ASN A 15 0.457 4.120 -13.298 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.008 3.922 -14.083 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.268 5.452 -13.269 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.230 5.357 -16.603 1.00 0.00 H new ATOM 0 HD22 ASN A 15 0.119 3.955 -15.533 1.00 0.00 H new ATOM 198 N ASP A 16 -0.752 6.015 -10.900 1.00 0.00 N ATOM 199 CA ASP A 16 -0.490 7.170 -10.048 1.00 0.00 C ATOM 200 C ASP A 16 0.943 7.124 -9.511 1.00 0.00 C ATOM 201 O ASP A 16 1.308 6.216 -8.763 1.00 0.00 O ATOM 202 CB ASP A 16 -1.503 7.210 -8.898 1.00 0.00 C ATOM 203 CG ASP A 16 -1.496 8.532 -8.153 1.00 0.00 C ATOM 204 OD1 ASP A 16 -0.483 8.840 -7.494 1.00 0.00 O ATOM 205 OD2 ASP A 16 -2.508 9.259 -8.229 1.00 0.00 O ATOM 0 H ASP A 16 -1.538 5.441 -10.594 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.599 8.079 -10.639 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.502 7.027 -9.294 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.284 6.403 -8.199 1.00 0.00 H new ATOM 210 N PRO A 17 1.777 8.104 -9.912 1.00 0.00 N ATOM 211 CA PRO A 17 3.190 8.183 -9.500 1.00 0.00 C ATOM 212 C PRO A 17 3.391 8.325 -7.991 1.00 0.00 C ATOM 213 O PRO A 17 4.406 7.878 -7.458 1.00 0.00 O ATOM 214 CB PRO A 17 3.710 9.432 -10.221 1.00 0.00 C ATOM 215 CG PRO A 17 2.493 10.213 -10.577 1.00 0.00 C ATOM 216 CD PRO A 17 1.413 9.205 -10.818 1.00 0.00 C ATOM 0 HA PRO A 17 3.716 7.263 -9.755 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.374 10.010 -9.578 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.280 9.164 -11.111 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.218 10.895 -9.773 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.665 10.821 -11.465 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.427 9.608 -10.587 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.389 8.880 -11.858 1.00 0.00 H new ATOM 224 N ARG A 18 2.431 8.941 -7.304 1.00 0.00 N ATOM 225 CA ARG A 18 2.528 9.128 -5.859 1.00 0.00 C ATOM 226 C ARG A 18 2.192 7.837 -5.132 1.00 0.00 C ATOM 227 O ARG A 18 2.870 7.445 -4.185 1.00 0.00 O ATOM 228 CB ARG A 18 1.593 10.245 -5.404 1.00 0.00 C ATOM 229 CG ARG A 18 2.056 11.618 -5.842 1.00 0.00 C ATOM 230 CD ARG A 18 1.794 11.849 -7.322 1.00 0.00 C ATOM 231 NE ARG A 18 1.339 13.210 -7.601 1.00 0.00 N ATOM 232 CZ ARG A 18 0.520 13.533 -8.604 1.00 0.00 C ATOM 233 NH1 ARG A 18 0.067 12.599 -9.435 1.00 0.00 N ATOM 234 NH2 ARG A 18 0.155 14.798 -8.779 1.00 0.00 N ATOM 0 H ARG A 18 1.581 9.318 -7.723 1.00 0.00 H new ATOM 0 HA ARG A 18 3.553 9.408 -5.617 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.595 10.060 -5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.513 10.224 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.541 12.380 -5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.121 11.726 -5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.706 11.651 -7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.044 11.139 -7.671 1.00 0.00 H new ATOM 0 HE ARG A 18 1.668 13.959 -6.992 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.345 11.626 -9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.559 12.856 -10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.501 15.521 -8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.471 15.047 -9.545 1.00 0.00 H new ATOM 248 N VAL A 19 1.144 7.179 -5.599 1.00 0.00 N ATOM 249 CA VAL A 19 0.698 5.919 -5.023 1.00 0.00 C ATOM 250 C VAL A 19 1.786 4.848 -5.147 1.00 0.00 C ATOM 251 O VAL A 19 2.038 4.098 -4.205 1.00 0.00 O ATOM 252 CB VAL A 19 -0.602 5.427 -5.706 1.00 0.00 C ATOM 253 CG1 VAL A 19 -0.930 3.995 -5.297 1.00 0.00 C ATOM 254 CG2 VAL A 19 -1.766 6.347 -5.373 1.00 0.00 C ATOM 0 H VAL A 19 0.579 7.501 -6.385 1.00 0.00 H new ATOM 0 HA VAL A 19 0.494 6.093 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.438 5.446 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.848 3.676 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.112 3.337 -5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.065 3.947 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.669 5.983 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.920 6.363 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.545 7.355 -5.723 1.00 0.00 H new ATOM 264 N LYS A 20 2.421 4.782 -6.321 1.00 0.00 N ATOM 265 CA LYS A 20 3.476 3.802 -6.587 1.00 0.00 C ATOM 266 C LYS A 20 4.767 4.103 -5.813 1.00 0.00 C ATOM 267 O LYS A 20 5.453 3.180 -5.374 1.00 0.00 O ATOM 268 CB LYS A 20 3.776 3.753 -8.087 1.00 0.00 C ATOM 269 CG LYS A 20 4.118 5.109 -8.684 1.00 0.00 C ATOM 270 CD LYS A 20 5.612 5.265 -8.910 1.00 0.00 C ATOM 271 CE LYS A 20 6.097 4.421 -10.082 1.00 0.00 C ATOM 272 NZ LYS A 20 7.388 3.735 -9.786 1.00 0.00 N ATOM 0 H LYS A 20 2.220 5.401 -7.107 1.00 0.00 H new ATOM 0 HA LYS A 20 3.108 2.834 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.607 3.069 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.911 3.343 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.592 5.232 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.767 5.898 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.844 6.314 -9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.149 4.975 -8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.340 3.676 -10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.218 5.056 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.679 3.173 -10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.118 4.445 -9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.268 3.108 -8.965 1.00 0.00 H new ATOM 286 N GLU A 21 5.098 5.390 -5.652 1.00 0.00 N ATOM 287 CA GLU A 21 6.312 5.787 -4.937 1.00 0.00 C ATOM 288 C GLU A 21 6.122 5.655 -3.431 1.00 0.00 C ATOM 289 O GLU A 21 7.033 5.255 -2.704 1.00 0.00 O ATOM 290 CB GLU A 21 6.705 7.222 -5.303 1.00 0.00 C ATOM 291 CG GLU A 21 5.771 8.291 -4.757 1.00 0.00 C ATOM 292 CD GLU A 21 6.139 9.684 -5.233 1.00 0.00 C ATOM 293 OE1 GLU A 21 5.645 10.099 -6.302 1.00 0.00 O ATOM 294 OE2 GLU A 21 6.923 10.361 -4.539 1.00 0.00 O ATOM 0 H GLU A 21 4.543 6.169 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 21 7.118 5.118 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.712 7.415 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.741 7.309 -6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.749 8.065 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.793 8.266 -3.668 1.00 0.00 H new ATOM 301 N ILE A 22 4.929 5.991 -2.973 1.00 0.00 N ATOM 302 CA ILE A 22 4.604 5.905 -1.561 1.00 0.00 C ATOM 303 C ILE A 22 4.410 4.436 -1.140 1.00 0.00 C ATOM 304 O ILE A 22 4.772 4.047 -0.024 1.00 0.00 O ATOM 305 CB ILE A 22 3.358 6.768 -1.240 1.00 0.00 C ATOM 306 CG1 ILE A 22 3.663 8.235 -1.558 1.00 0.00 C ATOM 307 CG2 ILE A 22 2.936 6.628 0.218 1.00 0.00 C ATOM 308 CD1 ILE A 22 2.431 9.086 -1.753 1.00 0.00 C ATOM 0 H ILE A 22 4.167 6.327 -3.561 1.00 0.00 H new ATOM 0 HA ILE A 22 5.437 6.303 -0.981 1.00 0.00 H new ATOM 0 HB ILE A 22 2.531 6.416 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.259 8.656 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.272 8.282 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.059 7.248 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.695 5.586 0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.752 6.950 0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.728 10.111 -1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.844 8.691 -2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.831 9.071 -0.843 1.00 0.00 H new ATOM 320 N ALA A 23 3.877 3.615 -2.058 1.00 0.00 N ATOM 321 CA ALA A 23 3.673 2.184 -1.803 1.00 0.00 C ATOM 322 C ALA A 23 5.013 1.446 -1.735 1.00 0.00 C ATOM 323 O ALA A 23 5.260 0.668 -0.806 1.00 0.00 O ATOM 324 CB ALA A 23 2.790 1.574 -2.882 1.00 0.00 C ATOM 0 H ALA A 23 3.580 3.920 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 23 3.174 2.078 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.648 0.513 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.822 2.075 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.267 1.697 -3.855 1.00 0.00 H new ATOM 330 N GLU A 24 5.883 1.703 -2.719 1.00 0.00 N ATOM 331 CA GLU A 24 7.197 1.080 -2.763 1.00 0.00 C ATOM 332 C GLU A 24 7.967 1.394 -1.486 1.00 0.00 C ATOM 333 O GLU A 24 8.556 0.499 -0.877 1.00 0.00 O ATOM 334 CB GLU A 24 7.970 1.545 -3.999 1.00 0.00 C ATOM 335 CG GLU A 24 8.513 2.963 -3.913 1.00 0.00 C ATOM 336 CD GLU A 24 8.912 3.528 -5.266 1.00 0.00 C ATOM 337 OE1 GLU A 24 8.177 3.302 -6.251 1.00 0.00 O ATOM 338 OE2 GLU A 24 9.961 4.199 -5.339 1.00 0.00 O ATOM 0 H GLU A 24 5.694 2.340 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 24 7.073 -0.001 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.802 0.862 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.316 1.473 -4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.758 3.609 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.378 2.975 -3.250 1.00 0.00 H new ATOM 345 N PHE A 25 7.924 2.663 -1.061 1.00 0.00 N ATOM 346 CA PHE A 25 8.585 3.070 0.175 1.00 0.00 C ATOM 347 C PHE A 25 8.033 2.249 1.334 1.00 0.00 C ATOM 348 O PHE A 25 8.770 1.861 2.238 1.00 0.00 O ATOM 349 CB PHE A 25 8.375 4.561 0.457 1.00 0.00 C ATOM 350 CG PHE A 25 9.126 5.055 1.667 1.00 0.00 C ATOM 351 CD1 PHE A 25 8.641 4.832 2.952 1.00 0.00 C ATOM 352 CD2 PHE A 25 10.319 5.744 1.518 1.00 0.00 C ATOM 353 CE1 PHE A 25 9.335 5.289 4.056 1.00 0.00 C ATOM 354 CE2 PHE A 25 11.014 6.202 2.621 1.00 0.00 C ATOM 355 CZ PHE A 25 10.522 5.974 3.889 1.00 0.00 C ATOM 0 H PHE A 25 7.442 3.416 -1.553 1.00 0.00 H new ATOM 0 HA PHE A 25 9.655 2.895 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.688 5.135 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.311 4.750 0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.713 4.296 3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.710 5.925 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.949 5.110 5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.942 6.738 2.490 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.065 6.331 4.751 1.00 0.00 H new ATOM 365 N ALA A 26 6.726 1.975 1.287 1.00 0.00 N ATOM 366 CA ALA A 26 6.075 1.180 2.322 1.00 0.00 C ATOM 367 C ALA A 26 6.783 -0.167 2.497 1.00 0.00 C ATOM 368 O ALA A 26 7.084 -0.576 3.620 1.00 0.00 O ATOM 369 CB ALA A 26 4.603 0.975 1.987 1.00 0.00 C ATOM 0 H ALA A 26 6.103 2.293 0.544 1.00 0.00 H new ATOM 0 HA ALA A 26 6.142 1.722 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.131 0.380 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.107 1.943 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.516 0.455 1.033 1.00 0.00 H new ATOM 375 N LEU A 27 7.056 -0.848 1.376 1.00 0.00 N ATOM 376 CA LEU A 27 7.739 -2.148 1.411 1.00 0.00 C ATOM 377 C LEU A 27 9.193 -2.008 1.889 1.00 0.00 C ATOM 378 O LEU A 27 9.652 -2.793 2.718 1.00 0.00 O ATOM 379 CB LEU A 27 7.694 -2.826 0.026 1.00 0.00 C ATOM 380 CG LEU A 27 8.930 -3.648 -0.356 1.00 0.00 C ATOM 381 CD1 LEU A 27 9.099 -4.829 0.589 1.00 0.00 C ATOM 382 CD2 LEU A 27 8.828 -4.127 -1.797 1.00 0.00 C ATOM 0 H LEU A 27 6.816 -0.523 0.439 1.00 0.00 H new ATOM 0 HA LEU A 27 7.209 -2.777 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.822 -3.479 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.546 -2.055 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 27 9.809 -3.009 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.981 -5.401 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.219 -4.464 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.218 -5.469 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.714 -4.709 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.940 -4.749 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.756 -3.267 -2.462 1.00 0.00 H new ATOM 394 N LYS A 28 9.915 -1.019 1.351 1.00 0.00 N ATOM 395 CA LYS A 28 11.321 -0.800 1.717 1.00 0.00 C ATOM 396 C LYS A 28 11.487 -0.288 3.156 1.00 0.00 C ATOM 397 O LYS A 28 12.581 -0.366 3.717 1.00 0.00 O ATOM 398 CB LYS A 28 11.989 0.169 0.732 1.00 0.00 C ATOM 399 CG LYS A 28 11.580 1.621 0.915 1.00 0.00 C ATOM 400 CD LYS A 28 12.729 2.467 1.438 1.00 0.00 C ATOM 401 CE LYS A 28 12.481 2.922 2.868 1.00 0.00 C ATOM 402 NZ LYS A 28 13.644 3.664 3.433 1.00 0.00 N ATOM 0 H LYS A 28 9.552 -0.359 0.663 1.00 0.00 H new ATOM 0 HA LYS A 28 11.813 -1.771 1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.071 0.091 0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.747 -0.140 -0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.235 2.025 -0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.741 1.678 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.655 1.893 1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.863 3.338 0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.597 3.559 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.268 2.054 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.457 3.895 4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.497 3.073 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.790 4.542 2.895 1.00 0.00 H new ATOM 416 N GLN A 29 10.411 0.236 3.750 1.00 0.00 N ATOM 417 CA GLN A 29 10.467 0.755 5.117 1.00 0.00 C ATOM 418 C GLN A 29 10.300 -0.368 6.141 1.00 0.00 C ATOM 419 O GLN A 29 10.959 -0.367 7.183 1.00 0.00 O ATOM 420 CB GLN A 29 9.395 1.825 5.333 1.00 0.00 C ATOM 421 CG GLN A 29 9.638 2.684 6.567 1.00 0.00 C ATOM 422 CD GLN A 29 10.764 3.686 6.381 1.00 0.00 C ATOM 423 OE1 GLN A 29 11.747 3.417 5.694 1.00 0.00 O ATOM 424 NE2 GLN A 29 10.624 4.854 6.997 1.00 0.00 N ATOM 0 H GLN A 29 9.495 0.311 3.307 1.00 0.00 H new ATOM 0 HA GLN A 29 11.449 1.206 5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.352 2.468 4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.422 1.341 5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.721 3.218 6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.871 2.037 7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.792 5.038 7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.348 5.567 6.909 1.00 0.00 H new ATOM 433 N HIS A 30 9.429 -1.332 5.833 1.00 0.00 N ATOM 434 CA HIS A 30 9.193 -2.469 6.718 1.00 0.00 C ATOM 435 C HIS A 30 10.008 -3.670 6.262 1.00 0.00 C ATOM 436 O HIS A 30 9.964 -4.047 5.090 1.00 0.00 O ATOM 437 CB HIS A 30 7.716 -2.838 6.748 1.00 0.00 C ATOM 438 CG HIS A 30 7.296 -3.449 8.045 1.00 0.00 C ATOM 439 ND1 HIS A 30 6.633 -2.751 9.030 1.00 0.00 N ATOM 440 CD2 HIS A 30 7.462 -4.702 8.519 1.00 0.00 C ATOM 441 CE1 HIS A 30 6.410 -3.552 10.056 1.00 0.00 C ATOM 442 NE2 HIS A 30 6.902 -4.741 9.770 1.00 0.00 N ATOM 0 H HIS A 30 8.876 -1.345 4.976 1.00 0.00 H new ATOM 0 HA HIS A 30 9.502 -2.182 7.723 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.120 -1.945 6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.504 -3.536 5.938 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.946 -5.521 8.008 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.910 -3.279 10.973 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.871 -5.558 10.380 1.00 0.00 H new ATOM 451 N ALA A 31 10.757 -4.265 7.185 1.00 0.00 N ATOM 452 CA ALA A 31 11.588 -5.421 6.856 1.00 0.00 C ATOM 453 C ALA A 31 12.264 -6.028 8.091 1.00 0.00 C ATOM 454 O ALA A 31 13.399 -6.501 8.013 1.00 0.00 O ATOM 455 CB ALA A 31 12.624 -5.021 5.816 1.00 0.00 C ATOM 0 H ALA A 31 10.807 -3.970 8.160 1.00 0.00 H new ATOM 0 HA ALA A 31 10.938 -6.195 6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.244 -5.883 5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.119 -4.669 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.252 -4.224 6.215 1.00 0.00 H new ATOM 461 N GLU A 32 11.559 -6.031 9.224 1.00 0.00 N ATOM 462 CA GLU A 32 12.091 -6.598 10.457 1.00 0.00 C ATOM 463 C GLU A 32 11.943 -8.119 10.445 1.00 0.00 C ATOM 464 O GLU A 32 12.828 -8.845 10.897 1.00 0.00 O ATOM 465 CB GLU A 32 11.376 -5.972 11.666 1.00 0.00 C ATOM 466 CG GLU A 32 10.532 -6.938 12.491 1.00 0.00 C ATOM 467 CD GLU A 32 9.044 -6.801 12.220 1.00 0.00 C ATOM 468 OE1 GLU A 32 8.671 -6.475 11.074 1.00 0.00 O ATOM 469 OE2 GLU A 32 8.251 -7.027 13.156 1.00 0.00 O ATOM 0 H GLU A 32 10.618 -5.646 9.310 1.00 0.00 H new ATOM 0 HA GLU A 32 13.154 -6.370 10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.125 -5.521 12.317 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.734 -5.165 11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.843 -7.960 12.275 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.721 -6.764 13.550 1.00 0.00 H new ATOM 476 N GLN A 33 10.817 -8.582 9.908 1.00 0.00 N ATOM 477 CA GLN A 33 10.526 -10.010 9.803 1.00 0.00 C ATOM 478 C GLN A 33 11.160 -10.613 8.542 1.00 0.00 C ATOM 479 O GLN A 33 11.352 -11.826 8.462 1.00 0.00 O ATOM 480 CB GLN A 33 9.014 -10.233 9.782 1.00 0.00 C ATOM 481 CG GLN A 33 8.288 -9.616 10.966 1.00 0.00 C ATOM 482 CD GLN A 33 7.050 -10.394 11.369 1.00 0.00 C ATOM 483 OE1 GLN A 33 6.943 -10.866 12.500 1.00 0.00 O ATOM 484 NE2 GLN A 33 6.103 -10.530 10.446 1.00 0.00 N ATOM 0 H GLN A 33 10.083 -7.981 9.534 1.00 0.00 H new ATOM 0 HA GLN A 33 10.955 -10.509 10.672 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.607 -9.816 8.861 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.814 -11.304 9.763 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.969 -9.561 11.815 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.004 -8.593 10.719 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.231 -10.123 9.520 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.248 -11.041 10.664 1.00 0.00 H new ATOM 493 N ASN A 34 11.489 -9.750 7.570 1.00 0.00 N ATOM 494 CA ASN A 34 12.115 -10.158 6.311 1.00 0.00 C ATOM 495 C ASN A 34 11.126 -10.838 5.356 1.00 0.00 C ATOM 496 O ASN A 34 10.950 -12.057 5.385 1.00 0.00 O ATOM 497 CB ASN A 34 13.317 -11.068 6.577 1.00 0.00 C ATOM 498 CG ASN A 34 13.994 -11.536 5.300 1.00 0.00 C ATOM 499 OD1 ASN A 34 13.830 -12.683 4.882 1.00 0.00 O ATOM 500 ND2 ASN A 34 14.762 -10.650 4.672 1.00 0.00 N ATOM 0 H ASN A 34 11.326 -8.745 7.639 1.00 0.00 H new ATOM 0 HA ASN A 34 12.459 -9.249 5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.041 -10.535 7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.990 -11.936 7.149 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.242 -10.911 3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.871 -9.710 5.052 1.00 0.00 H new ATOM 507 N LEU A 35 10.507 -10.031 4.491 1.00 0.00 N ATOM 508 CA LEU A 35 9.560 -10.524 3.492 1.00 0.00 C ATOM 509 C LEU A 35 9.743 -9.768 2.179 1.00 0.00 C ATOM 510 O LEU A 35 10.450 -8.758 2.132 1.00 0.00 O ATOM 511 CB LEU A 35 8.118 -10.414 4.000 1.00 0.00 C ATOM 512 CG LEU A 35 7.501 -9.012 3.973 1.00 0.00 C ATOM 513 CD1 LEU A 35 6.220 -9.011 3.154 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.224 -8.522 5.387 1.00 0.00 C ATOM 0 H LEU A 35 10.648 -9.021 4.464 1.00 0.00 H new ATOM 0 HA LEU A 35 9.762 -11.580 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.492 -11.076 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.086 -10.784 5.025 1.00 0.00 H new ATOM 0 HG LEU A 35 8.214 -8.333 3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.795 -8.007 3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.441 -9.321 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.505 -9.704 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.786 -7.525 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.530 -9.204 5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.157 -8.486 5.949 1.00 0.00 H new ATOM 526 N ILE A 36 9.143 -10.278 1.105 1.00 0.00 N ATOM 527 CA ILE A 36 9.297 -9.659 -0.207 1.00 0.00 C ATOM 528 C ILE A 36 7.961 -9.315 -0.850 1.00 0.00 C ATOM 529 O ILE A 36 7.110 -10.181 -1.027 1.00 0.00 O ATOM 530 CB ILE A 36 10.072 -10.596 -1.158 1.00 0.00 C ATOM 531 CG1 ILE A 36 10.811 -11.691 -0.371 1.00 0.00 C ATOM 532 CG2 ILE A 36 11.039 -9.799 -2.017 1.00 0.00 C ATOM 533 CD1 ILE A 36 11.200 -12.882 -1.217 1.00 0.00 C ATOM 0 H ILE A 36 8.552 -11.109 1.118 1.00 0.00 H new ATOM 0 HA ILE A 36 9.850 -8.733 -0.047 1.00 0.00 H new ATOM 0 HB ILE A 36 9.354 -11.086 -1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.709 -11.264 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.177 -12.029 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.577 -10.475 -2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.484 -9.072 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.750 -9.278 -1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.717 -13.615 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.304 -13.334 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.860 -12.557 -2.022 1.00 0.00 H new ATOM 545 N LEU A 37 7.798 -8.044 -1.221 1.00 0.00 N ATOM 546 CA LEU A 37 6.577 -7.584 -1.867 1.00 0.00 C ATOM 547 C LEU A 37 6.699 -7.703 -3.384 1.00 0.00 C ATOM 548 O LEU A 37 7.499 -7.004 -4.006 1.00 0.00 O ATOM 549 CB LEU A 37 6.293 -6.137 -1.478 1.00 0.00 C ATOM 550 CG LEU A 37 4.863 -5.661 -1.732 1.00 0.00 C ATOM 551 CD1 LEU A 37 3.941 -6.138 -0.621 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.822 -4.145 -1.850 1.00 0.00 C ATOM 0 H LEU A 37 8.500 -7.317 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 37 5.750 -8.211 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.517 -6.012 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.977 -5.490 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 37 4.516 -6.088 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.926 -5.791 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.951 -7.227 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.284 -5.738 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.797 -3.822 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.186 -3.698 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.454 -3.827 -2.679 1.00 0.00 H new ATOM 564 N ALA A 38 5.902 -8.594 -3.972 1.00 0.00 N ATOM 565 CA ALA A 38 5.921 -8.805 -5.416 1.00 0.00 C ATOM 566 C ALA A 38 5.431 -7.573 -6.172 1.00 0.00 C ATOM 567 O ALA A 38 5.832 -7.349 -7.315 1.00 0.00 O ATOM 568 CB ALA A 38 5.085 -10.018 -5.793 1.00 0.00 C ATOM 0 H ALA A 38 5.236 -9.181 -3.470 1.00 0.00 H new ATOM 0 HA ALA A 38 6.957 -8.986 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.113 -10.157 -6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.488 -10.904 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.054 -9.863 -5.473 1.00 0.00 H new ATOM 574 N GLY A 39 4.570 -6.768 -5.539 1.00 0.00 N ATOM 575 CA GLY A 39 4.074 -5.575 -6.209 1.00 0.00 C ATOM 576 C GLY A 39 2.821 -4.992 -5.584 1.00 0.00 C ATOM 577 O GLY A 39 2.275 -5.544 -4.629 1.00 0.00 O ATOM 0 H GLY A 39 4.215 -6.918 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.857 -4.816 -6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.869 -5.815 -7.252 1.00 0.00 H new ATOM 581 N VAL A 40 2.374 -3.865 -6.142 1.00 0.00 N ATOM 582 CA VAL A 40 1.180 -3.161 -5.671 1.00 0.00 C ATOM 583 C VAL A 40 -0.089 -3.750 -6.300 1.00 0.00 C ATOM 584 O VAL A 40 -0.110 -4.069 -7.489 1.00 0.00 O ATOM 585 CB VAL A 40 1.291 -1.643 -5.992 1.00 0.00 C ATOM 586 CG1 VAL A 40 -0.075 -0.966 -6.089 1.00 0.00 C ATOM 587 CG2 VAL A 40 2.160 -0.946 -4.952 1.00 0.00 C ATOM 0 H VAL A 40 2.831 -3.414 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 40 1.111 -3.289 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 40 1.760 -1.554 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.058 0.092 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.658 -1.435 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.601 -1.071 -5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.229 0.116 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.715 -1.070 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.158 -1.385 -4.958 1.00 0.00 H new ATOM 597 N ASP A 41 -1.143 -3.893 -5.490 1.00 0.00 N ATOM 598 CA ASP A 41 -2.414 -4.445 -5.965 1.00 0.00 C ATOM 599 C ASP A 41 -3.501 -3.370 -6.030 1.00 0.00 C ATOM 600 O ASP A 41 -3.969 -3.016 -7.113 1.00 0.00 O ATOM 601 CB ASP A 41 -2.877 -5.589 -5.056 1.00 0.00 C ATOM 602 CG ASP A 41 -3.151 -6.868 -5.826 1.00 0.00 C ATOM 603 OD1 ASP A 41 -4.086 -6.876 -6.653 1.00 0.00 O ATOM 604 OD2 ASP A 41 -2.432 -7.861 -5.601 1.00 0.00 O ATOM 0 H ASP A 41 -1.140 -3.634 -4.503 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.247 -4.828 -6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.115 -5.780 -4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.781 -5.286 -4.528 1.00 0.00 H new ATOM 609 N ALA A 42 -3.898 -2.857 -4.864 1.00 0.00 N ATOM 610 CA ALA A 42 -4.932 -1.825 -4.783 1.00 0.00 C ATOM 611 C ALA A 42 -4.576 -0.783 -3.728 1.00 0.00 C ATOM 612 O ALA A 42 -3.633 -0.974 -2.958 1.00 0.00 O ATOM 613 CB ALA A 42 -6.285 -2.453 -4.478 1.00 0.00 C ATOM 0 H ALA A 42 -3.518 -3.141 -3.961 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.991 -1.323 -5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.044 -1.673 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.546 -3.156 -5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.235 -2.981 -3.526 1.00 0.00 H new ATOM 619 N GLY A 43 -5.320 0.326 -3.694 1.00 0.00 N ATOM 620 CA GLY A 43 -5.026 1.360 -2.722 1.00 0.00 C ATOM 621 C GLY A 43 -6.168 2.306 -2.434 1.00 0.00 C ATOM 622 O GLY A 43 -7.213 2.255 -3.074 1.00 0.00 O ATOM 0 H GLY A 43 -6.107 0.520 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.723 0.885 -1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.174 1.940 -3.077 1.00 0.00 H new ATOM 626 N GLN A 44 -5.932 3.176 -1.455 1.00 0.00 N ATOM 627 CA GLN A 44 -6.900 4.173 -1.020 1.00 0.00 C ATOM 628 C GLN A 44 -6.180 5.372 -0.405 1.00 0.00 C ATOM 629 O GLN A 44 -5.204 5.205 0.324 1.00 0.00 O ATOM 630 CB GLN A 44 -7.849 3.551 -0.001 1.00 0.00 C ATOM 631 CG GLN A 44 -8.974 2.766 -0.644 1.00 0.00 C ATOM 632 CD GLN A 44 -10.249 3.578 -0.780 1.00 0.00 C ATOM 633 OE1 GLN A 44 -10.587 4.044 -1.867 1.00 0.00 O ATOM 634 NE2 GLN A 44 -10.965 3.753 0.327 1.00 0.00 N ATOM 0 H GLN A 44 -5.053 3.207 -0.938 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.473 4.516 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.284 2.892 0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.273 4.339 0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.657 2.426 -1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -9.177 1.875 -0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.648 3.349 1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.831 4.291 0.295 1.00 0.00 H new ATOM 643 N ILE A 45 -6.656 6.577 -0.708 1.00 0.00 N ATOM 644 CA ILE A 45 -6.038 7.794 -0.186 1.00 0.00 C ATOM 645 C ILE A 45 -7.051 8.656 0.559 1.00 0.00 C ATOM 646 O ILE A 45 -8.158 8.894 0.072 1.00 0.00 O ATOM 647 CB ILE A 45 -5.394 8.638 -1.312 1.00 0.00 C ATOM 648 CG1 ILE A 45 -4.741 7.736 -2.367 1.00 0.00 C ATOM 649 CG2 ILE A 45 -4.373 9.607 -0.731 1.00 0.00 C ATOM 650 CD1 ILE A 45 -3.695 6.796 -1.806 1.00 0.00 C ATOM 0 H ILE A 45 -7.464 6.737 -1.310 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.259 7.472 0.505 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.181 9.213 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.516 7.149 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.281 8.362 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.929 10.193 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.866 10.275 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.592 9.047 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.279 6.192 -2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.898 7.375 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.153 6.144 -1.063 1.00 0.00 H new ATOM 662 N ILE A 46 -6.655 9.129 1.740 1.00 0.00 N ATOM 663 CA ILE A 46 -7.512 9.976 2.561 1.00 0.00 C ATOM 664 C ILE A 46 -6.910 11.375 2.682 1.00 0.00 C ATOM 665 O ILE A 46 -5.802 11.547 3.215 1.00 0.00 O ATOM 666 CB ILE A 46 -7.730 9.366 3.961 1.00 0.00 C ATOM 667 CG1 ILE A 46 -8.268 7.935 3.825 1.00 0.00 C ATOM 668 CG2 ILE A 46 -8.683 10.228 4.780 1.00 0.00 C ATOM 669 CD1 ILE A 46 -8.623 7.280 5.143 1.00 0.00 C ATOM 0 H ILE A 46 -5.741 8.937 2.149 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.483 10.046 2.071 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.775 9.333 4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.153 7.950 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.521 7.324 3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.824 9.781 5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.264 11.228 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.644 10.293 4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.995 6.272 4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.736 7.230 5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.394 7.866 5.644 1.00 0.00 H new ATOM 681 N LYS A 47 -7.631 12.364 2.142 1.00 0.00 N ATOM 682 CA LYS A 47 -7.169 13.748 2.153 1.00 0.00 C ATOM 683 C LYS A 47 -8.285 14.748 2.489 1.00 0.00 C ATOM 684 O LYS A 47 -9.472 14.460 2.331 1.00 0.00 O ATOM 685 CB LYS A 47 -6.543 14.090 0.792 1.00 0.00 C ATOM 686 CG LYS A 47 -7.510 14.696 -0.220 1.00 0.00 C ATOM 687 CD LYS A 47 -8.705 13.789 -0.473 1.00 0.00 C ATOM 688 CE LYS A 47 -9.056 13.713 -1.950 1.00 0.00 C ATOM 689 NZ LYS A 47 -9.951 12.559 -2.245 1.00 0.00 N ATOM 0 H LYS A 47 -8.536 12.227 1.693 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.424 13.836 2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.720 14.787 0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.114 13.183 0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.858 15.663 0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.987 14.878 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.487 12.788 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.565 14.157 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.543 14.639 -2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.142 13.624 -2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.169 12.540 -3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.476 11.674 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.834 12.657 -1.704 1.00 0.00 H new ATOM 703 N GLY A 48 -7.863 15.940 2.909 1.00 0.00 N ATOM 704 CA GLY A 48 -8.775 17.034 3.225 1.00 0.00 C ATOM 705 C GLY A 48 -8.227 18.320 2.639 1.00 0.00 C ATOM 706 O GLY A 48 -8.667 18.771 1.581 1.00 0.00 O ATOM 0 H GLY A 48 -6.878 16.173 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.765 16.828 2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.887 17.130 4.305 1.00 0.00 H new ATOM 710 N ILE A 49 -7.205 18.855 3.301 1.00 0.00 N ATOM 711 CA ILE A 49 -6.497 20.041 2.836 1.00 0.00 C ATOM 712 C ILE A 49 -5.082 19.591 2.473 1.00 0.00 C ATOM 713 O ILE A 49 -4.313 19.185 3.346 1.00 0.00 O ATOM 714 CB ILE A 49 -6.456 21.155 3.907 1.00 0.00 C ATOM 715 CG1 ILE A 49 -5.844 22.433 3.324 1.00 0.00 C ATOM 716 CG2 ILE A 49 -5.681 20.697 5.136 1.00 0.00 C ATOM 717 CD1 ILE A 49 -6.526 23.701 3.790 1.00 0.00 C ATOM 0 H ILE A 49 -6.845 18.476 4.177 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.014 20.470 1.978 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.478 21.372 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.789 22.477 3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.891 22.384 2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.666 21.497 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.163 19.817 5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.659 20.448 4.850 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.039 24.564 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.575 23.680 3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.456 23.774 4.875 1.00 0.00 H new ATOM 729 N PRO A 50 -4.736 19.553 1.177 1.00 0.00 N ATOM 730 CA PRO A 50 -3.444 19.035 0.761 1.00 0.00 C ATOM 731 C PRO A 50 -2.290 20.025 0.732 1.00 0.00 C ATOM 732 O PRO A 50 -2.251 20.961 -0.069 1.00 0.00 O ATOM 733 CB PRO A 50 -3.725 18.514 -0.637 1.00 0.00 C ATOM 734 CG PRO A 50 -4.774 19.438 -1.170 1.00 0.00 C ATOM 735 CD PRO A 50 -5.587 19.898 0.022 1.00 0.00 C ATOM 0 HA PRO A 50 -3.094 18.299 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.828 18.531 -1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.077 17.483 -0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.320 20.287 -1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.406 18.929 -1.898 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.791 20.968 -0.020 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.551 19.392 0.069 1.00 0.00 H new ATOM 743 N HIS A 51 -1.312 19.721 1.569 1.00 0.00 N ATOM 744 CA HIS A 51 -0.061 20.460 1.646 1.00 0.00 C ATOM 745 C HIS A 51 1.080 19.472 1.369 1.00 0.00 C ATOM 746 O HIS A 51 2.227 19.682 1.768 1.00 0.00 O ATOM 747 CB HIS A 51 0.104 21.120 3.019 1.00 0.00 C ATOM 748 CG HIS A 51 -0.019 22.612 2.981 1.00 0.00 C ATOM 749 ND1 HIS A 51 -1.128 23.266 2.485 1.00 0.00 N ATOM 750 CD2 HIS A 51 0.838 23.582 3.380 1.00 0.00 C ATOM 751 CE1 HIS A 51 -0.947 24.571 2.580 1.00 0.00 C ATOM 752 NE2 HIS A 51 0.237 24.789 3.120 1.00 0.00 N ATOM 0 H HIS A 51 -1.365 18.942 2.225 1.00 0.00 H new ATOM 0 HA HIS A 51 -0.051 21.263 0.908 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.647 20.718 3.699 1.00 0.00 H new ATOM 0 HB3 HIS A 51 1.079 20.854 3.427 1.00 0.00 H new ATOM 0 HD2 HIS A 51 1.813 23.434 3.821 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.649 25.330 2.269 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.641 25.706 3.313 1.00 0.00 H new ATOM 761 N TRP A 52 0.716 18.372 0.686 1.00 0.00 N ATOM 762 CA TRP A 52 1.621 17.289 0.331 1.00 0.00 C ATOM 763 C TRP A 52 1.924 16.382 1.527 1.00 0.00 C ATOM 764 O TRP A 52 2.994 15.778 1.614 1.00 0.00 O ATOM 765 CB TRP A 52 2.891 17.807 -0.342 1.00 0.00 C ATOM 766 CG TRP A 52 3.235 17.060 -1.604 1.00 0.00 C ATOM 767 CD1 TRP A 52 4.465 16.991 -2.187 1.00 0.00 C ATOM 768 CD2 TRP A 52 2.352 16.271 -2.436 1.00 0.00 C ATOM 769 NE1 TRP A 52 4.415 16.212 -3.316 1.00 0.00 N ATOM 770 CE2 TRP A 52 3.135 15.758 -3.490 1.00 0.00 C ATOM 771 CE3 TRP A 52 0.983 15.940 -2.400 1.00 0.00 C ATOM 772 CZ2 TRP A 52 2.605 14.940 -4.485 1.00 0.00 C ATOM 773 CZ3 TRP A 52 0.466 15.127 -3.389 1.00 0.00 C ATOM 774 CH2 TRP A 52 1.276 14.633 -4.417 1.00 0.00 C ATOM 0 H TRP A 52 -0.239 18.218 0.363 1.00 0.00 H new ATOM 0 HA TRP A 52 1.108 16.670 -0.405 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.767 18.865 -0.575 1.00 0.00 H new ATOM 0 HB3 TRP A 52 3.723 17.730 0.357 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.353 17.480 -1.814 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.205 16.005 -3.927 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.348 16.316 -1.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.225 14.561 -5.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.582 14.868 -3.369 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.841 13.996 -5.173 1.00 0.00 H new ATOM 785 N ASP A 53 0.937 16.260 2.418 1.00 0.00 N ATOM 786 CA ASP A 53 1.032 15.393 3.590 1.00 0.00 C ATOM 787 C ASP A 53 -0.112 14.368 3.568 1.00 0.00 C ATOM 788 O ASP A 53 -0.564 13.897 4.613 1.00 0.00 O ATOM 789 CB ASP A 53 0.998 16.217 4.881 1.00 0.00 C ATOM 790 CG ASP A 53 2.232 15.996 5.737 1.00 0.00 C ATOM 791 OD1 ASP A 53 2.216 15.072 6.576 1.00 0.00 O ATOM 792 OD2 ASP A 53 3.216 16.744 5.566 1.00 0.00 O ATOM 0 H ASP A 53 0.051 16.760 2.345 1.00 0.00 H new ATOM 0 HA ASP A 53 1.984 14.862 3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.916 17.275 4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.109 15.954 5.454 1.00 0.00 H new ATOM 797 N ASN A 54 -0.588 14.056 2.355 1.00 0.00 N ATOM 798 CA ASN A 54 -1.698 13.123 2.144 1.00 0.00 C ATOM 799 C ASN A 54 -1.469 11.776 2.829 1.00 0.00 C ATOM 800 O ASN A 54 -0.333 11.306 2.931 1.00 0.00 O ATOM 801 CB ASN A 54 -1.907 12.913 0.640 1.00 0.00 C ATOM 802 CG ASN A 54 -3.371 12.937 0.246 1.00 0.00 C ATOM 803 OD1 ASN A 54 -4.187 12.205 0.805 1.00 0.00 O ATOM 804 ND2 ASN A 54 -3.711 13.779 -0.725 1.00 0.00 N ATOM 0 H ASN A 54 -0.211 14.446 1.491 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.588 13.564 2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.374 13.689 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.471 11.958 0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.681 13.836 -1.034 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.001 14.368 -1.161 1.00 0.00 H new ATOM 811 N TYR A 55 -2.563 11.147 3.282 1.00 0.00 N ATOM 812 CA TYR A 55 -2.474 9.844 3.937 1.00 0.00 C ATOM 813 C TYR A 55 -2.765 8.736 2.931 1.00 0.00 C ATOM 814 O TYR A 55 -3.850 8.684 2.350 1.00 0.00 O ATOM 815 CB TYR A 55 -3.440 9.765 5.123 1.00 0.00 C ATOM 816 CG TYR A 55 -2.749 9.602 6.461 1.00 0.00 C ATOM 817 CD1 TYR A 55 -1.508 10.182 6.704 1.00 0.00 C ATOM 818 CD2 TYR A 55 -3.338 8.868 7.483 1.00 0.00 C ATOM 819 CE1 TYR A 55 -0.877 10.034 7.922 1.00 0.00 C ATOM 820 CE2 TYR A 55 -2.712 8.717 8.705 1.00 0.00 C ATOM 821 CZ TYR A 55 -1.482 9.301 8.919 1.00 0.00 C ATOM 822 OH TYR A 55 -0.857 9.152 10.136 1.00 0.00 O ATOM 0 H TYR A 55 -3.510 11.519 3.206 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.462 9.714 4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.048 10.669 5.146 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.120 8.927 4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.030 10.758 5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.301 8.408 7.319 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.087 10.491 8.093 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.184 8.144 9.489 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.418 8.608 10.727 1.00 0.00 H new ATOM 832 N TYR A 56 -1.777 7.870 2.705 1.00 0.00 N ATOM 833 CA TYR A 56 -1.914 6.785 1.741 1.00 0.00 C ATOM 834 C TYR A 56 -2.090 5.425 2.416 1.00 0.00 C ATOM 835 O TYR A 56 -1.363 5.073 3.345 1.00 0.00 O ATOM 836 CB TYR A 56 -0.693 6.761 0.818 1.00 0.00 C ATOM 837 CG TYR A 56 -0.600 7.971 -0.088 1.00 0.00 C ATOM 838 CD1 TYR A 56 -0.210 9.206 0.414 1.00 0.00 C ATOM 839 CD2 TYR A 56 -0.914 7.882 -1.438 1.00 0.00 C ATOM 840 CE1 TYR A 56 -0.138 10.317 -0.403 1.00 0.00 C ATOM 841 CE2 TYR A 56 -0.841 8.988 -2.262 1.00 0.00 C ATOM 842 CZ TYR A 56 -0.454 10.204 -1.739 1.00 0.00 C ATOM 843 OH TYR A 56 -0.387 11.313 -2.553 1.00 0.00 O ATOM 0 H TYR A 56 -0.874 7.901 3.178 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.817 6.972 1.160 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.211 6.700 1.425 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.727 5.860 0.206 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.041 9.299 1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.220 6.932 -1.850 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.165 11.271 0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.086 8.901 -3.310 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.640 11.064 -3.467 1.00 0.00 H new ATOM 853 N ASN A 57 -3.059 4.668 1.910 1.00 0.00 N ATOM 854 CA ASN A 57 -3.370 3.328 2.404 1.00 0.00 C ATOM 855 C ASN A 57 -3.459 2.382 1.213 1.00 0.00 C ATOM 856 O ASN A 57 -4.177 2.671 0.263 1.00 0.00 O ATOM 857 CB ASN A 57 -4.701 3.343 3.161 1.00 0.00 C ATOM 858 CG ASN A 57 -5.017 2.013 3.818 1.00 0.00 C ATOM 859 OD1 ASN A 57 -5.624 1.135 3.207 1.00 0.00 O ATOM 860 ND2 ASN A 57 -4.607 1.857 5.072 1.00 0.00 N ATOM 0 H ASN A 57 -3.656 4.969 1.139 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.589 2.994 3.087 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.672 4.122 3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.504 3.602 2.471 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.793 0.983 5.564 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.106 2.611 5.542 1.00 0.00 H new ATOM 867 N LEU A 58 -2.718 1.275 1.229 1.00 0.00 N ATOM 868 CA LEU A 58 -2.748 0.361 0.086 1.00 0.00 C ATOM 869 C LEU A 58 -2.507 -1.096 0.466 1.00 0.00 C ATOM 870 O LEU A 58 -1.846 -1.402 1.461 1.00 0.00 O ATOM 871 CB LEU A 58 -1.706 0.794 -0.950 1.00 0.00 C ATOM 872 CG LEU A 58 -2.096 2.007 -1.800 1.00 0.00 C ATOM 873 CD1 LEU A 58 -1.338 3.244 -1.348 1.00 0.00 C ATOM 874 CD2 LEU A 58 -1.848 1.730 -3.278 1.00 0.00 C ATOM 0 H LEU A 58 -2.107 0.994 1.995 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.754 0.418 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.774 1.018 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.507 -0.047 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.161 2.193 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.629 4.095 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.574 3.454 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.267 3.072 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.131 2.604 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.791 1.515 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.444 0.873 -3.593 1.00 0.00 H new ATOM 886 N ILE A 59 -3.031 -1.985 -0.379 1.00 0.00 N ATOM 887 CA ILE A 59 -2.877 -3.428 -0.212 1.00 0.00 C ATOM 888 C ILE A 59 -2.004 -3.968 -1.342 1.00 0.00 C ATOM 889 O ILE A 59 -2.264 -3.690 -2.515 1.00 0.00 O ATOM 890 CB ILE A 59 -4.234 -4.162 -0.238 1.00 0.00 C ATOM 891 CG1 ILE A 59 -5.222 -3.517 0.749 1.00 0.00 C ATOM 892 CG2 ILE A 59 -4.040 -5.644 0.065 1.00 0.00 C ATOM 893 CD1 ILE A 59 -5.389 -4.275 2.049 1.00 0.00 C ATOM 0 H ILE A 59 -3.576 -1.722 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.416 -3.605 0.760 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.659 -4.072 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.885 -2.505 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.195 -3.429 0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.006 -6.149 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.383 -6.085 -0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.593 -5.758 1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.102 -3.752 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.758 -5.279 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.427 -4.340 2.558 1.00 0.00 H new ATOM 905 N LEU A 60 -0.957 -4.712 -0.996 1.00 0.00 N ATOM 906 CA LEU A 60 -0.042 -5.246 -2.001 1.00 0.00 C ATOM 907 C LEU A 60 0.207 -6.746 -1.807 1.00 0.00 C ATOM 908 O LEU A 60 -0.165 -7.323 -0.784 1.00 0.00 O ATOM 909 CB LEU A 60 1.286 -4.476 -1.956 1.00 0.00 C ATOM 910 CG LEU A 60 1.190 -3.000 -1.539 1.00 0.00 C ATOM 911 CD1 LEU A 60 1.073 -2.866 -0.028 1.00 0.00 C ATOM 912 CD2 LEU A 60 2.394 -2.225 -2.049 1.00 0.00 C ATOM 0 H LEU A 60 -0.722 -4.958 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.506 -5.117 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.957 -4.986 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.747 -4.526 -2.943 1.00 0.00 H new ATOM 0 HG LEU A 60 0.289 -2.580 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.007 -1.811 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.178 -3.384 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.951 -3.306 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.310 -1.182 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.305 -2.653 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.431 -2.284 -3.137 1.00 0.00 H new ATOM 924 N SER A 61 0.847 -7.365 -2.801 1.00 0.00 N ATOM 925 CA SER A 61 1.166 -8.794 -2.753 1.00 0.00 C ATOM 926 C SER A 61 2.624 -8.998 -2.360 1.00 0.00 C ATOM 927 O SER A 61 3.515 -8.326 -2.892 1.00 0.00 O ATOM 928 CB SER A 61 0.898 -9.460 -4.102 1.00 0.00 C ATOM 929 OG SER A 61 -0.489 -9.507 -4.381 1.00 0.00 O ATOM 0 H SER A 61 1.156 -6.897 -3.653 1.00 0.00 H new ATOM 0 HA SER A 61 0.524 -9.256 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.412 -8.911 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.306 -10.471 -4.099 1.00 0.00 H new ATOM 0 HG SER A 61 -0.756 -8.690 -4.851 1.00 0.00 H new ATOM 935 N ALA A 62 2.856 -9.923 -1.422 1.00 0.00 N ATOM 936 CA ALA A 62 4.204 -10.215 -0.942 1.00 0.00 C ATOM 937 C ALA A 62 4.371 -11.683 -0.556 1.00 0.00 C ATOM 938 O ALA A 62 3.498 -12.273 0.081 1.00 0.00 O ATOM 939 CB ALA A 62 4.535 -9.326 0.248 1.00 0.00 C ATOM 0 H ALA A 62 2.124 -10.481 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 62 4.895 -10.010 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.542 -9.550 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.480 -8.280 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.821 -9.511 1.050 1.00 0.00 H new ATOM 945 N LYS A 63 5.516 -12.254 -0.934 1.00 0.00 N ATOM 946 CA LYS A 63 5.837 -13.642 -0.620 1.00 0.00 C ATOM 947 C LYS A 63 7.276 -13.761 -0.122 1.00 0.00 C ATOM 948 O LYS A 63 8.079 -12.836 -0.278 1.00 0.00 O ATOM 949 CB LYS A 63 5.615 -14.562 -1.831 1.00 0.00 C ATOM 950 CG LYS A 63 6.016 -13.968 -3.172 1.00 0.00 C ATOM 951 CD LYS A 63 7.518 -14.047 -3.398 1.00 0.00 C ATOM 952 CE LYS A 63 8.124 -12.670 -3.624 1.00 0.00 C ATOM 953 NZ LYS A 63 9.560 -12.747 -4.017 1.00 0.00 N ATOM 0 H LYS A 63 6.241 -11.769 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 63 5.161 -13.964 0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.177 -15.483 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.561 -14.835 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.500 -14.497 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.696 -12.927 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.992 -14.517 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.724 -14.682 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.563 -12.151 -4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.029 -12.079 -2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.091 -11.990 -3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.948 -13.670 -3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.644 -12.635 -5.047 1.00 0.00 H new ATOM 967 N HIS A 64 7.587 -14.898 0.495 1.00 0.00 N ATOM 968 CA HIS A 64 8.921 -15.148 1.028 1.00 0.00 C ATOM 969 C HIS A 64 9.831 -15.786 -0.026 1.00 0.00 C ATOM 970 O HIS A 64 11.055 -15.770 0.115 1.00 0.00 O ATOM 971 CB HIS A 64 8.835 -16.055 2.258 1.00 0.00 C ATOM 972 CG HIS A 64 7.721 -15.704 3.200 1.00 0.00 C ATOM 973 ND1 HIS A 64 7.180 -16.604 4.092 1.00 0.00 N ATOM 974 CD2 HIS A 64 7.042 -14.545 3.381 1.00 0.00 C ATOM 975 CE1 HIS A 64 6.216 -16.016 4.778 1.00 0.00 C ATOM 976 NE2 HIS A 64 6.112 -14.766 4.366 1.00 0.00 N ATOM 0 H HIS A 64 6.929 -15.664 0.638 1.00 0.00 H new ATOM 0 HA HIS A 64 9.353 -14.189 1.314 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.706 -17.086 1.928 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.781 -16.009 2.797 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.203 -13.619 2.849 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.615 -16.480 5.546 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.449 -14.077 4.722 1.00 0.00 H new ATOM 985 N SER A 65 9.229 -16.351 -1.077 1.00 0.00 N ATOM 986 CA SER A 65 9.991 -16.997 -2.144 1.00 0.00 C ATOM 987 C SER A 65 9.254 -16.911 -3.483 1.00 0.00 C ATOM 988 O SER A 65 8.023 -16.954 -3.532 1.00 0.00 O ATOM 989 CB SER A 65 10.263 -18.460 -1.794 1.00 0.00 C ATOM 990 OG SER A 65 9.201 -19.008 -1.035 1.00 0.00 O ATOM 0 H SER A 65 8.218 -16.373 -1.209 1.00 0.00 H new ATOM 0 HA SER A 65 10.940 -16.469 -2.241 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.396 -19.037 -2.709 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.193 -18.536 -1.231 1.00 0.00 H new ATOM 0 HG SER A 65 9.566 -19.574 -0.323 1.00 0.00 H new ATOM 996 N PRO A 66 10.013 -16.798 -4.590 1.00 0.00 N ATOM 997 CA PRO A 66 9.451 -16.705 -5.947 1.00 0.00 C ATOM 998 C PRO A 66 8.735 -17.981 -6.394 1.00 0.00 C ATOM 999 O PRO A 66 7.843 -17.930 -7.243 1.00 0.00 O ATOM 1000 CB PRO A 66 10.681 -16.454 -6.825 1.00 0.00 C ATOM 1001 CG PRO A 66 11.826 -16.996 -6.044 1.00 0.00 C ATOM 1002 CD PRO A 66 11.486 -16.760 -4.601 1.00 0.00 C ATOM 0 HA PRO A 66 8.690 -15.927 -6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.588 -16.955 -7.788 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.810 -15.391 -7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.967 -18.058 -6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.755 -16.494 -6.314 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.913 -17.528 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.866 -15.801 -4.250 1.00 0.00 H new ATOM 1010 N HIS A 67 9.132 -19.120 -5.827 1.00 0.00 N ATOM 1011 CA HIS A 67 8.532 -20.405 -6.179 1.00 0.00 C ATOM 1012 C HIS A 67 7.278 -20.702 -5.347 1.00 0.00 C ATOM 1013 O HIS A 67 6.695 -21.780 -5.478 1.00 0.00 O ATOM 1014 CB HIS A 67 9.551 -21.536 -5.992 1.00 0.00 C ATOM 1015 CG HIS A 67 10.791 -21.394 -6.827 1.00 0.00 C ATOM 1016 ND1 HIS A 67 11.266 -20.350 -7.549 1.00 0.00 N flip ATOM 1017 CD2 HIS A 67 11.709 -22.412 -6.984 1.00 0.00 C flip ATOM 1018 CE1 HIS A 67 12.447 -20.755 -8.120 1.00 0.00 C flip ATOM 1019 NE2 HIS A 67 12.692 -22.001 -7.764 1.00 0.00 N flip ATOM 0 H HIS A 67 9.867 -19.178 -5.122 1.00 0.00 H new ATOM 0 HA HIS A 67 8.234 -20.345 -7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 67 9.838 -21.581 -4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 67 9.072 -22.485 -6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 67 11.635 -23.393 -6.538 1.00 0.00 H new ATOM 0 HE1 HIS A 67 13.074 -20.150 -8.758 1.00 0.00 H new ATOM 0 HE2 HIS A 67 13.503 -22.553 -8.044 1.00 0.00 H new ATOM 1028 N GLU A 68 6.865 -19.764 -4.483 1.00 0.00 N ATOM 1029 CA GLU A 68 5.688 -19.981 -3.647 1.00 0.00 C ATOM 1030 C GLU A 68 4.689 -18.825 -3.722 1.00 0.00 C ATOM 1031 O GLU A 68 4.984 -17.755 -4.255 1.00 0.00 O ATOM 1032 CB GLU A 68 6.107 -20.231 -2.203 1.00 0.00 C ATOM 1033 CG GLU A 68 6.716 -21.606 -1.991 1.00 0.00 C ATOM 1034 CD GLU A 68 8.212 -21.563 -1.757 1.00 0.00 C ATOM 1035 OE1 GLU A 68 8.963 -21.382 -2.739 1.00 0.00 O ATOM 1036 OE2 GLU A 68 8.634 -21.714 -0.592 1.00 0.00 O ATOM 0 H GLU A 68 7.324 -18.863 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 68 5.178 -20.863 -4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.828 -19.470 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.238 -20.121 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.234 -22.083 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.508 -22.227 -2.862 1.00 0.00 H new ATOM 1043 N PHE A 69 3.491 -19.087 -3.199 1.00 0.00 N ATOM 1044 CA PHE A 69 2.377 -18.133 -3.195 1.00 0.00 C ATOM 1045 C PHE A 69 2.712 -16.782 -2.568 1.00 0.00 C ATOM 1046 O PHE A 69 3.630 -16.659 -1.759 1.00 0.00 O ATOM 1047 CB PHE A 69 1.197 -18.731 -2.427 1.00 0.00 C ATOM 1048 CG PHE A 69 0.247 -19.522 -3.271 1.00 0.00 C ATOM 1049 CD1 PHE A 69 0.701 -20.555 -4.074 1.00 0.00 C ATOM 1050 CD2 PHE A 69 -1.105 -19.234 -3.252 1.00 0.00 C ATOM 1051 CE1 PHE A 69 -0.183 -21.285 -4.846 1.00 0.00 C ATOM 1052 CE2 PHE A 69 -1.992 -19.958 -4.017 1.00 0.00 C ATOM 1053 CZ PHE A 69 -1.532 -20.986 -4.817 1.00 0.00 C ATOM 0 H PHE A 69 3.262 -19.979 -2.760 1.00 0.00 H new ATOM 0 HA PHE A 69 2.138 -17.953 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.583 -19.374 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.648 -17.924 -1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.754 -20.792 -4.097 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.470 -18.431 -2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.180 -22.088 -5.471 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.046 -19.723 -3.992 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.225 -21.555 -5.419 1.00 0.00 H new ATOM 1063 N SER A 70 1.896 -15.786 -2.935 1.00 0.00 N ATOM 1064 CA SER A 70 2.005 -14.424 -2.417 1.00 0.00 C ATOM 1065 C SER A 70 0.729 -14.075 -1.663 1.00 0.00 C ATOM 1066 O SER A 70 -0.364 -14.484 -2.064 1.00 0.00 O ATOM 1067 CB SER A 70 2.213 -13.418 -3.554 1.00 0.00 C ATOM 1068 OG SER A 70 3.248 -13.834 -4.427 1.00 0.00 O ATOM 0 H SER A 70 1.137 -15.908 -3.605 1.00 0.00 H new ATOM 0 HA SER A 70 2.866 -14.373 -1.751 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.286 -13.303 -4.115 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.457 -12.441 -3.138 1.00 0.00 H new ATOM 0 HG SER A 70 3.357 -13.174 -5.143 1.00 0.00 H new ATOM 1074 N LYS A 71 0.859 -13.324 -0.576 1.00 0.00 N ATOM 1075 CA LYS A 71 -0.303 -12.935 0.216 1.00 0.00 C ATOM 1076 C LYS A 71 -0.501 -11.423 0.194 1.00 0.00 C ATOM 1077 O LYS A 71 0.384 -10.676 -0.226 1.00 0.00 O ATOM 1078 CB LYS A 71 -0.166 -13.441 1.654 1.00 0.00 C ATOM 1079 CG LYS A 71 -0.011 -14.955 1.758 1.00 0.00 C ATOM 1080 CD LYS A 71 -1.123 -15.699 1.024 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.119 -16.318 1.993 1.00 0.00 C ATOM 1082 NZ LYS A 71 -3.522 -15.928 1.677 1.00 0.00 N ATOM 0 H LYS A 71 1.750 -12.974 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.185 -13.395 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.697 -12.963 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.044 -13.134 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.954 -15.249 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.012 -15.248 2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.643 -15.011 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.688 -16.480 0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.029 -17.404 1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.877 -16.008 3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.168 -16.371 2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.616 -14.894 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.763 -16.247 0.717 1.00 0.00 H new ATOM 1096 N PHE A 72 -1.677 -10.981 0.633 1.00 0.00 N ATOM 1097 CA PHE A 72 -2.004 -9.560 0.651 1.00 0.00 C ATOM 1098 C PHE A 72 -1.640 -8.924 1.989 1.00 0.00 C ATOM 1099 O PHE A 72 -1.720 -9.568 3.034 1.00 0.00 O ATOM 1100 CB PHE A 72 -3.495 -9.358 0.367 1.00 0.00 C ATOM 1101 CG PHE A 72 -3.840 -9.371 -1.097 1.00 0.00 C ATOM 1102 CD1 PHE A 72 -3.312 -10.335 -1.941 1.00 0.00 C ATOM 1103 CD2 PHE A 72 -4.692 -8.417 -1.626 1.00 0.00 C ATOM 1104 CE1 PHE A 72 -3.629 -10.347 -3.285 1.00 0.00 C ATOM 1105 CE2 PHE A 72 -5.013 -8.424 -2.970 1.00 0.00 C ATOM 1106 CZ PHE A 72 -4.480 -9.390 -3.800 1.00 0.00 C ATOM 0 H PHE A 72 -2.419 -11.588 0.981 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.418 -9.072 -0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.061 -10.141 0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.812 -8.408 0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.645 -11.085 -1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.111 -7.659 -0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.212 -11.104 -3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.680 -7.675 -3.371 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.729 -9.397 -4.851 1.00 0.00 H new ATOM 1116 N TYR A 73 -1.241 -7.653 1.940 1.00 0.00 N ATOM 1117 CA TYR A 73 -0.866 -6.904 3.133 1.00 0.00 C ATOM 1118 C TYR A 73 -1.370 -5.464 3.026 1.00 0.00 C ATOM 1119 O TYR A 73 -1.298 -4.857 1.959 1.00 0.00 O ATOM 1120 CB TYR A 73 0.657 -6.897 3.316 1.00 0.00 C ATOM 1121 CG TYR A 73 1.304 -8.268 3.335 1.00 0.00 C ATOM 1122 CD1 TYR A 73 1.460 -9.003 2.165 1.00 0.00 C ATOM 1123 CD2 TYR A 73 1.765 -8.822 4.522 1.00 0.00 C ATOM 1124 CE1 TYR A 73 2.054 -10.250 2.181 1.00 0.00 C ATOM 1125 CE2 TYR A 73 2.360 -10.068 4.544 1.00 0.00 C ATOM 1126 CZ TYR A 73 2.501 -10.778 3.372 1.00 0.00 C ATOM 1127 OH TYR A 73 3.092 -12.021 3.391 1.00 0.00 O ATOM 0 H TYR A 73 -1.170 -7.118 1.075 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.322 -7.389 3.996 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.102 -6.312 2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.894 -6.387 4.250 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.111 -8.592 1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.656 -8.269 5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.167 -10.809 1.264 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.713 -10.484 5.476 1.00 0.00 H new ATOM 0 HH TYR A 73 2.609 -12.603 4.014 1.00 0.00 H new ATOM 1137 N ASN A 74 -1.866 -4.922 4.137 1.00 0.00 N ATOM 1138 CA ASN A 74 -2.372 -3.552 4.170 1.00 0.00 C ATOM 1139 C ASN A 74 -1.447 -2.661 4.989 1.00 0.00 C ATOM 1140 O ASN A 74 -1.131 -2.967 6.140 1.00 0.00 O ATOM 1141 CB ASN A 74 -3.790 -3.515 4.751 1.00 0.00 C ATOM 1142 CG ASN A 74 -4.466 -2.162 4.582 1.00 0.00 C ATOM 1143 OD1 ASN A 74 -5.137 -1.679 5.492 1.00 0.00 O ATOM 1144 ND2 ASN A 74 -4.300 -1.545 3.414 1.00 0.00 N ATOM 0 H ASN A 74 -1.928 -5.413 5.029 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.405 -3.176 3.147 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.396 -4.281 4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.749 -3.765 5.811 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.737 -0.638 3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.735 -1.979 2.684 1.00 0.00 H new ATOM 1151 N VAL A 75 -1.001 -1.564 4.377 1.00 0.00 N ATOM 1152 CA VAL A 75 -0.090 -0.635 5.040 1.00 0.00 C ATOM 1153 C VAL A 75 -0.578 0.806 4.971 1.00 0.00 C ATOM 1154 O VAL A 75 -1.291 1.196 4.043 1.00 0.00 O ATOM 1155 CB VAL A 75 1.322 -0.696 4.423 1.00 0.00 C ATOM 1156 CG1 VAL A 75 2.036 -1.964 4.857 1.00 0.00 C ATOM 1157 CG2 VAL A 75 1.258 -0.604 2.904 1.00 0.00 C ATOM 0 H VAL A 75 -1.256 -1.299 3.426 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.057 -0.949 6.083 1.00 0.00 H new ATOM 0 HB VAL A 75 1.890 0.161 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.031 -1.991 4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.123 -1.979 5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.467 -2.833 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.267 -0.649 2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.670 -1.435 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.791 0.338 2.616 1.00 0.00 H new ATOM 1167 N VAL A 76 -0.152 1.594 5.955 1.00 0.00 N ATOM 1168 CA VAL A 76 -0.492 3.008 6.026 1.00 0.00 C ATOM 1169 C VAL A 76 0.785 3.829 5.900 1.00 0.00 C ATOM 1170 O VAL A 76 1.631 3.807 6.795 1.00 0.00 O ATOM 1171 CB VAL A 76 -1.207 3.377 7.347 1.00 0.00 C ATOM 1172 CG1 VAL A 76 -2.180 4.521 7.121 1.00 0.00 C ATOM 1173 CG2 VAL A 76 -1.928 2.174 7.940 1.00 0.00 C ATOM 0 H VAL A 76 0.437 1.269 6.722 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.181 3.227 5.210 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.448 3.697 8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.675 4.769 8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.638 5.393 6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.927 4.223 6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.420 2.466 8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.673 1.811 7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.207 1.383 8.145 1.00 0.00 H new ATOM 1183 N VAL A 77 0.935 4.523 4.775 1.00 0.00 N ATOM 1184 CA VAL A 77 2.128 5.323 4.521 1.00 0.00 C ATOM 1185 C VAL A 77 1.796 6.809 4.431 1.00 0.00 C ATOM 1186 O VAL A 77 0.904 7.217 3.684 1.00 0.00 O ATOM 1187 CB VAL A 77 2.839 4.876 3.223 1.00 0.00 C ATOM 1188 CG1 VAL A 77 4.319 5.207 3.285 1.00 0.00 C ATOM 1189 CG2 VAL A 77 2.643 3.386 2.980 1.00 0.00 C ATOM 0 H VAL A 77 0.244 4.547 4.025 1.00 0.00 H new ATOM 0 HA VAL A 77 2.799 5.164 5.365 1.00 0.00 H new ATOM 0 HB VAL A 77 2.393 5.420 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.803 4.885 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.447 6.283 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.772 4.691 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.153 3.097 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.057 2.823 3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.579 3.169 2.888 1.00 0.00 H new ATOM 1199 N LEU A 78 2.526 7.609 5.205 1.00 0.00 N ATOM 1200 CA LEU A 78 2.333 9.053 5.237 1.00 0.00 C ATOM 1201 C LEU A 78 3.409 9.768 4.424 1.00 0.00 C ATOM 1202 O LEU A 78 4.600 9.500 4.581 1.00 0.00 O ATOM 1203 CB LEU A 78 2.359 9.550 6.686 1.00 0.00 C ATOM 1204 CG LEU A 78 2.641 11.048 6.861 1.00 0.00 C ATOM 1205 CD1 LEU A 78 1.583 11.890 6.161 1.00 0.00 C ATOM 1206 CD2 LEU A 78 2.720 11.408 8.336 1.00 0.00 C ATOM 0 H LEU A 78 3.264 7.274 5.824 1.00 0.00 H new ATOM 0 HA LEU A 78 1.363 9.278 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.399 9.322 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.117 8.988 7.232 1.00 0.00 H new ATOM 0 HG LEU A 78 3.604 11.265 6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.808 12.947 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.580 11.658 5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.603 11.668 6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.921 12.474 8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.774 11.168 8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.523 10.840 8.807 1.00 0.00 H new ATOM 1218 N GLU A 79 2.978 10.687 3.565 1.00 0.00 N ATOM 1219 CA GLU A 79 3.894 11.458 2.729 1.00 0.00 C ATOM 1220 C GLU A 79 4.301 12.754 3.444 1.00 0.00 C ATOM 1221 O GLU A 79 3.442 13.492 3.924 1.00 0.00 O ATOM 1222 CB GLU A 79 3.219 11.775 1.385 1.00 0.00 C ATOM 1223 CG GLU A 79 3.799 12.991 0.672 1.00 0.00 C ATOM 1224 CD GLU A 79 4.177 12.722 -0.774 1.00 0.00 C ATOM 1225 OE1 GLU A 79 4.608 11.591 -1.087 1.00 0.00 O ATOM 1226 OE2 GLU A 79 4.048 13.650 -1.595 1.00 0.00 O ATOM 0 H GLU A 79 1.994 10.917 3.429 1.00 0.00 H new ATOM 0 HA GLU A 79 4.794 10.871 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.308 10.907 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.155 11.939 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.072 13.802 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.682 13.332 1.213 1.00 0.00 H new ATOM 1233 N LYS A 80 5.609 13.031 3.514 1.00 0.00 N ATOM 1234 CA LYS A 80 6.092 14.249 4.173 1.00 0.00 C ATOM 1235 C LYS A 80 6.991 15.073 3.257 1.00 0.00 C ATOM 1236 O LYS A 80 7.897 14.543 2.609 1.00 0.00 O ATOM 1237 CB LYS A 80 6.849 13.923 5.464 1.00 0.00 C ATOM 1238 CG LYS A 80 6.180 14.481 6.712 1.00 0.00 C ATOM 1239 CD LYS A 80 6.648 13.771 7.972 1.00 0.00 C ATOM 1240 CE LYS A 80 5.519 13.620 8.980 1.00 0.00 C ATOM 1241 NZ LYS A 80 5.616 12.341 9.735 1.00 0.00 N ATOM 0 H LYS A 80 6.343 12.437 3.128 1.00 0.00 H new ATOM 0 HA LYS A 80 5.208 14.839 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.938 12.841 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.861 14.321 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.396 15.546 6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.099 14.381 6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.039 12.787 7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.467 14.331 8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.542 14.456 9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.561 13.664 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.694 12.119 10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.890 11.575 9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.332 12.433 10.484 1.00 0.00 H new ATOM 1255 N ALA A 81 6.740 16.381 3.230 1.00 0.00 N ATOM 1256 CA ALA A 81 7.528 17.307 2.419 1.00 0.00 C ATOM 1257 C ALA A 81 8.687 17.892 3.227 1.00 0.00 C ATOM 1258 O ALA A 81 9.742 18.204 2.672 1.00 0.00 O ATOM 1259 CB ALA A 81 6.644 18.420 1.877 1.00 0.00 C ATOM 0 H ALA A 81 5.993 16.825 3.764 1.00 0.00 H new ATOM 0 HA ALA A 81 7.946 16.752 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.245 19.102 1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.855 17.990 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.197 18.967 2.707 1.00 0.00 H new ATOM 1265 N SER A 82 8.481 18.031 4.541 1.00 0.00 N ATOM 1266 CA SER A 82 9.502 18.571 5.440 1.00 0.00 C ATOM 1267 C SER A 82 10.777 17.725 5.415 1.00 0.00 C ATOM 1268 O SER A 82 11.881 18.261 5.528 1.00 0.00 O ATOM 1269 CB SER A 82 8.958 18.655 6.868 1.00 0.00 C ATOM 1270 OG SER A 82 8.105 19.777 7.026 1.00 0.00 O ATOM 0 H SER A 82 7.610 17.775 5.006 1.00 0.00 H new ATOM 0 HA SER A 82 9.756 19.572 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.411 17.743 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.787 18.723 7.573 1.00 0.00 H new ATOM 0 HG SER A 82 7.770 19.806 7.946 1.00 0.00 H new ATOM 1276 N ASP A 83 10.625 16.406 5.261 1.00 0.00 N ATOM 1277 CA ASP A 83 11.775 15.504 5.215 1.00 0.00 C ATOM 1278 C ASP A 83 12.061 15.033 3.782 1.00 0.00 C ATOM 1279 O ASP A 83 12.943 14.200 3.568 1.00 0.00 O ATOM 1280 CB ASP A 83 11.541 14.296 6.130 1.00 0.00 C ATOM 1281 CG ASP A 83 12.151 14.474 7.509 1.00 0.00 C ATOM 1282 OD1 ASP A 83 13.329 14.880 7.593 1.00 0.00 O ATOM 1283 OD2 ASP A 83 11.450 14.203 8.505 1.00 0.00 O ATOM 0 H ASP A 83 9.721 15.943 5.167 1.00 0.00 H new ATOM 0 HA ASP A 83 12.646 16.057 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.469 14.125 6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.963 13.406 5.663 1.00 0.00 H new ATOM 1288 N ASN A 84 11.314 15.574 2.806 1.00 0.00 N ATOM 1289 CA ASN A 84 11.483 15.218 1.395 1.00 0.00 C ATOM 1290 C ASN A 84 11.565 13.702 1.206 1.00 0.00 C ATOM 1291 O ASN A 84 12.544 13.184 0.664 1.00 0.00 O ATOM 1292 CB ASN A 84 12.728 15.904 0.820 1.00 0.00 C ATOM 1293 CG ASN A 84 12.378 17.003 -0.165 1.00 0.00 C ATOM 1294 OD1 ASN A 84 12.497 16.824 -1.377 1.00 0.00 O ATOM 1295 ND2 ASN A 84 11.941 18.148 0.349 1.00 0.00 N ATOM 0 H ASN A 84 10.583 16.265 2.974 1.00 0.00 H new ATOM 0 HA ASN A 84 10.606 15.569 0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.317 16.324 1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.353 15.161 0.325 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.689 18.921 -0.268 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.857 18.254 1.360 1.00 0.00 H new ATOM 1302 N SER A 85 10.529 12.993 1.661 1.00 0.00 N ATOM 1303 CA SER A 85 10.481 11.542 1.547 1.00 0.00 C ATOM 1304 C SER A 85 9.150 10.989 2.054 1.00 0.00 C ATOM 1305 O SER A 85 8.307 11.724 2.575 1.00 0.00 O ATOM 1306 CB SER A 85 11.634 10.916 2.337 1.00 0.00 C ATOM 1307 OG SER A 85 11.432 11.047 3.735 1.00 0.00 O ATOM 0 H SER A 85 9.713 13.406 2.112 1.00 0.00 H new ATOM 0 HA SER A 85 10.578 11.285 0.492 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.725 9.861 2.078 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.572 11.395 2.056 1.00 0.00 H new ATOM 0 HG SER A 85 12.182 10.637 4.214 1.00 0.00 H new ATOM 1313 N LEU A 86 8.985 9.680 1.914 1.00 0.00 N ATOM 1314 CA LEU A 86 7.778 8.998 2.372 1.00 0.00 C ATOM 1315 C LEU A 86 7.985 8.484 3.795 1.00 0.00 C ATOM 1316 O LEU A 86 9.100 8.524 4.317 1.00 0.00 O ATOM 1317 CB LEU A 86 7.415 7.823 1.450 1.00 0.00 C ATOM 1318 CG LEU A 86 7.396 8.117 -0.056 1.00 0.00 C ATOM 1319 CD1 LEU A 86 6.605 9.382 -0.344 1.00 0.00 C ATOM 1320 CD2 LEU A 86 8.811 8.226 -0.606 1.00 0.00 C ATOM 0 H LEU A 86 9.676 9.065 1.484 1.00 0.00 H new ATOM 0 HA LEU A 86 6.957 9.715 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.124 7.015 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.431 7.454 1.738 1.00 0.00 H new ATOM 0 HG LEU A 86 6.904 7.285 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.603 9.574 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.580 9.257 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.064 10.224 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.771 8.435 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.338 9.034 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.340 7.287 -0.439 1.00 0.00 H new ATOM 1332 N LYS A 87 6.913 8.003 4.420 1.00 0.00 N ATOM 1333 CA LYS A 87 6.997 7.485 5.781 1.00 0.00 C ATOM 1334 C LYS A 87 6.009 6.347 6.000 1.00 0.00 C ATOM 1335 O LYS A 87 4.800 6.534 5.889 1.00 0.00 O ATOM 1336 CB LYS A 87 6.749 8.611 6.793 1.00 0.00 C ATOM 1337 CG LYS A 87 6.034 8.174 8.068 1.00 0.00 C ATOM 1338 CD LYS A 87 6.712 8.731 9.309 1.00 0.00 C ATOM 1339 CE LYS A 87 5.697 9.270 10.307 1.00 0.00 C ATOM 1340 NZ LYS A 87 5.177 8.207 11.211 1.00 0.00 N ATOM 0 H LYS A 87 5.981 7.962 4.007 1.00 0.00 H new ATOM 0 HA LYS A 87 8.002 7.089 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.707 9.056 7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.160 9.391 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.997 8.509 8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.015 7.085 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.308 7.949 9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.400 9.527 9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.159 10.057 10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.866 9.724 9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.489 8.620 11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.713 7.467 10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.965 7.790 11.746 1.00 0.00 H new ATOM 1354 N LEU A 88 6.532 5.176 6.343 1.00 0.00 N ATOM 1355 CA LEU A 88 5.691 4.020 6.610 1.00 0.00 C ATOM 1356 C LEU A 88 5.188 4.087 8.049 1.00 0.00 C ATOM 1357 O LEU A 88 5.945 3.864 8.995 1.00 0.00 O ATOM 1358 CB LEU A 88 6.468 2.723 6.358 1.00 0.00 C ATOM 1359 CG LEU A 88 5.627 1.458 6.135 1.00 0.00 C ATOM 1360 CD1 LEU A 88 6.271 0.267 6.827 1.00 0.00 C ATOM 1361 CD2 LEU A 88 4.196 1.645 6.623 1.00 0.00 C ATOM 0 H LEU A 88 7.532 5.004 6.442 1.00 0.00 H new ATOM 0 HA LEU A 88 4.835 4.028 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.104 2.869 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.128 2.549 7.208 1.00 0.00 H new ATOM 0 HG LEU A 88 5.590 1.268 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.664 -0.623 6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.270 0.106 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.342 0.463 7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.630 0.730 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.202 1.871 7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.731 2.468 6.080 1.00 0.00 H new ATOM 1373 N VAL A 89 3.910 4.420 8.205 1.00 0.00 N ATOM 1374 CA VAL A 89 3.303 4.547 9.527 1.00 0.00 C ATOM 1375 C VAL A 89 3.079 3.180 10.171 1.00 0.00 C ATOM 1376 O VAL A 89 3.487 2.956 11.312 1.00 0.00 O ATOM 1377 CB VAL A 89 1.957 5.310 9.473 1.00 0.00 C ATOM 1378 CG1 VAL A 89 1.621 5.889 10.838 1.00 0.00 C ATOM 1379 CG2 VAL A 89 1.990 6.411 8.417 1.00 0.00 C ATOM 0 H VAL A 89 3.273 4.607 7.431 1.00 0.00 H new ATOM 0 HA VAL A 89 4.005 5.119 10.134 1.00 0.00 H new ATOM 0 HB VAL A 89 1.178 4.601 9.193 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.672 6.422 10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.542 5.082 11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.408 6.579 11.144 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.031 6.930 8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.783 7.120 8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.180 5.971 7.438 1.00 0.00 H new ATOM 1389 N ALA A 90 2.434 2.269 9.442 1.00 0.00 N ATOM 1390 CA ALA A 90 2.168 0.930 9.965 1.00 0.00 C ATOM 1391 C ALA A 90 2.106 -0.117 8.853 1.00 0.00 C ATOM 1392 O ALA A 90 1.672 0.171 7.736 1.00 0.00 O ATOM 1393 CB ALA A 90 0.873 0.927 10.762 1.00 0.00 C ATOM 0 H ALA A 90 2.089 2.432 8.496 1.00 0.00 H new ATOM 0 HA ALA A 90 2.997 0.663 10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.685 -0.075 11.147 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.957 1.625 11.595 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.048 1.229 10.117 1.00 0.00 H new ATOM 1399 N PHE A 91 2.531 -1.339 9.181 1.00 0.00 N ATOM 1400 CA PHE A 91 2.514 -2.450 8.231 1.00 0.00 C ATOM 1401 C PHE A 91 1.732 -3.623 8.817 1.00 0.00 C ATOM 1402 O PHE A 91 2.046 -4.111 9.904 1.00 0.00 O ATOM 1403 CB PHE A 91 3.945 -2.865 7.856 1.00 0.00 C ATOM 1404 CG PHE A 91 4.041 -3.590 6.541 1.00 0.00 C ATOM 1405 CD1 PHE A 91 3.287 -4.728 6.299 1.00 0.00 C ATOM 1406 CD2 PHE A 91 4.882 -3.125 5.544 1.00 0.00 C ATOM 1407 CE1 PHE A 91 3.372 -5.386 5.088 1.00 0.00 C ATOM 1408 CE2 PHE A 91 4.972 -3.780 4.332 1.00 0.00 C ATOM 1409 CZ PHE A 91 4.216 -4.911 4.104 1.00 0.00 C ATOM 0 H PHE A 91 2.893 -1.584 10.103 1.00 0.00 H new ATOM 0 HA PHE A 91 2.015 -2.128 7.317 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.573 -1.975 7.817 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.346 -3.504 8.643 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.626 -5.104 7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.475 -2.239 5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.779 -6.271 4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.633 -3.407 3.564 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.284 -5.425 3.156 1.00 0.00 H new ATOM 1419 N VAL A 92 0.683 -4.040 8.105 1.00 0.00 N ATOM 1420 CA VAL A 92 -0.185 -5.122 8.567 1.00 0.00 C ATOM 1421 C VAL A 92 -0.443 -6.167 7.480 1.00 0.00 C ATOM 1422 O VAL A 92 -0.618 -5.825 6.312 1.00 0.00 O ATOM 1423 CB VAL A 92 -1.545 -4.553 9.023 1.00 0.00 C ATOM 1424 CG1 VAL A 92 -2.349 -5.601 9.777 1.00 0.00 C ATOM 1425 CG2 VAL A 92 -1.348 -3.307 9.876 1.00 0.00 C ATOM 0 H VAL A 92 0.415 -3.643 7.205 1.00 0.00 H new ATOM 0 HA VAL A 92 0.332 -5.605 9.396 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.109 -4.273 8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.303 -5.174 10.087 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.529 -6.458 9.128 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.792 -5.923 10.657 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.319 -2.922 10.187 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.758 -3.559 10.757 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.825 -2.547 9.295 1.00 0.00 H new ATOM 1435 N PRO A 93 -0.494 -7.462 7.859 1.00 0.00 N ATOM 1436 CA PRO A 93 -0.761 -8.550 6.921 1.00 0.00 C ATOM 1437 C PRO A 93 -2.261 -8.740 6.691 1.00 0.00 C ATOM 1438 O PRO A 93 -3.053 -8.669 7.634 1.00 0.00 O ATOM 1439 CB PRO A 93 -0.162 -9.760 7.629 1.00 0.00 C ATOM 1440 CG PRO A 93 -0.337 -9.471 9.082 1.00 0.00 C ATOM 1441 CD PRO A 93 -0.311 -7.967 9.235 1.00 0.00 C ATOM 0 HA PRO A 93 -0.341 -8.371 5.931 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.673 -10.679 7.343 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.890 -9.888 7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.279 -9.880 9.447 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.459 -9.933 9.666 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.105 -7.620 9.896 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.632 -7.626 9.663 1.00 0.00 H new ATOM 1449 N LEU A 94 -2.649 -8.970 5.438 1.00 0.00 N ATOM 1450 CA LEU A 94 -4.058 -9.155 5.090 1.00 0.00 C ATOM 1451 C LEU A 94 -4.356 -10.606 4.701 1.00 0.00 C ATOM 1452 O LEU A 94 -5.109 -10.862 3.760 1.00 0.00 O ATOM 1453 CB LEU A 94 -4.448 -8.208 3.944 1.00 0.00 C ATOM 1454 CG LEU A 94 -5.086 -6.878 4.368 1.00 0.00 C ATOM 1455 CD1 LEU A 94 -6.603 -6.976 4.322 1.00 0.00 C ATOM 1456 CD2 LEU A 94 -4.619 -6.461 5.757 1.00 0.00 C ATOM 0 H LEU A 94 -2.008 -9.033 4.647 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.654 -8.918 5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.556 -7.991 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.143 -8.730 3.286 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.765 -6.112 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.038 -6.024 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.922 -7.213 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.938 -7.761 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.088 -5.515 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.899 -7.227 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.536 -6.342 5.756 1.00 0.00 H new ATOM 1468 N PHE A 95 -3.770 -11.555 5.434 1.00 0.00 N ATOM 1469 CA PHE A 95 -3.985 -12.976 5.158 1.00 0.00 C ATOM 1470 C PHE A 95 -4.015 -13.797 6.448 1.00 0.00 C ATOM 1471 O PHE A 95 -4.842 -14.728 6.532 1.00 0.00 O ATOM 1472 CB PHE A 95 -2.904 -13.510 4.208 1.00 0.00 C ATOM 1473 CG PHE A 95 -1.528 -13.573 4.812 1.00 0.00 C ATOM 1474 CD1 PHE A 95 -0.812 -12.414 5.066 1.00 0.00 C ATOM 1475 CD2 PHE A 95 -0.951 -14.794 5.125 1.00 0.00 C ATOM 1476 CE1 PHE A 95 0.451 -12.473 5.619 1.00 0.00 C ATOM 1477 CE2 PHE A 95 0.312 -14.857 5.678 1.00 0.00 C ATOM 1478 CZ PHE A 95 1.014 -13.695 5.926 1.00 0.00 C ATOM 1479 OXT PHE A 95 -3.217 -13.502 7.363 1.00 0.00 O ATOM 0 H PHE A 95 -3.146 -11.366 6.219 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.957 -13.077 4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.189 -14.508 3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.871 -12.877 3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.247 -11.454 4.829 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.496 -15.707 4.934 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.999 -11.563 5.812 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.751 -15.815 5.916 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.002 -13.742 6.360 1.00 0.00 H new TER 1489 PHE A 95