USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 699 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 72 THR OG1 : rot -69:sc= 0.268 USER MOD Set 1.2: A 77 SER OG : rot -93:sc= 1.01 USER MOD Set 2.1: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 64 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0758 (180deg=-0.24) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.363 K(o=-0.36,f=-3.2!) USER MOD Single : A 8 GLN : amide:sc=-0.00786 X(o=-0.0079,f=-0.091) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.769 X(o=-0.77,f=-1.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0125) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.16) USER MOD Single : A 23 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.72) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= -0.434 (180deg=-1.62!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -0.285 K(o=-0.29,f=-1.1) USER MOD Single : A 38 ASN : amide:sc= -2.44! K(o=-2.4!,f=-0.22) USER MOD Single : A 39 SER OG : rot 80:sc= -0.824 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.859 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 54 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.4) USER MOD Single : A 57 SER OG : rot 42:sc= 0.529! USER MOD Single : A 59 GLN : amide:sc= -4.16! C(o=-4.2!,f=-2.8!) USER MOD Single : A 60 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.62) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -85:sc= -4.01! USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.583 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0472 USER MOD Single : A 78 THR OG1 : rot 35:sc= 0.768 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 85 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.072) USER MOD Single : A 86 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.39) USER MOD Single : A 87 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.26) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.414 K(o=-0.41,f=-0.98!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.334 -11.790 19.975 1.00 0.00 N ATOM 2 CA MET A 1 3.096 -10.542 19.711 1.00 0.00 C ATOM 3 C MET A 1 4.599 -10.792 19.771 1.00 0.00 C ATOM 4 O MET A 1 5.386 -9.864 19.965 1.00 0.00 O ATOM 5 CB MET A 1 2.691 -9.495 20.752 1.00 0.00 C ATOM 6 CG MET A 1 1.817 -8.384 20.193 1.00 0.00 C ATOM 7 SD MET A 1 0.058 -8.758 20.315 1.00 0.00 S ATOM 8 CE MET A 1 -0.265 -9.404 18.675 1.00 0.00 C ATOM 0 H1 MET A 1 1.326 -11.563 20.096 1.00 0.00 H new ATOM 0 H2 MET A 1 2.448 -12.442 19.173 1.00 0.00 H new ATOM 0 H3 MET A 1 2.694 -12.240 20.841 1.00 0.00 H new ATOM 0 HA MET A 1 2.863 -10.184 18.708 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.159 -9.990 21.564 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.591 -9.056 21.182 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.026 -7.458 20.729 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.077 -8.213 19.148 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.316 -9.681 18.594 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.032 -8.642 17.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.356 -10.283 18.501 1.00 0.00 H new ATOM 20 N ARG A 2 4.991 -12.051 19.604 1.00 0.00 N ATOM 21 CA ARG A 2 6.400 -12.424 19.638 1.00 0.00 C ATOM 22 C ARG A 2 6.633 -13.737 18.897 1.00 0.00 C ATOM 23 O ARG A 2 7.485 -14.538 19.285 1.00 0.00 O ATOM 24 CB ARG A 2 6.882 -12.548 21.086 1.00 0.00 C ATOM 25 CG ARG A 2 7.793 -11.414 21.524 1.00 0.00 C ATOM 26 CD ARG A 2 9.256 -11.820 21.469 1.00 0.00 C ATOM 27 NE ARG A 2 10.043 -11.166 22.510 1.00 0.00 N ATOM 28 CZ ARG A 2 11.240 -11.588 22.905 1.00 0.00 C ATOM 29 NH1 ARG A 2 11.789 -12.659 22.346 1.00 0.00 N ATOM 30 NH2 ARG A 2 11.891 -10.940 23.861 1.00 0.00 N ATOM 0 H ARG A 2 4.352 -12.830 19.444 1.00 0.00 H new ATOM 0 HA ARG A 2 6.970 -11.640 19.139 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.016 -12.582 21.747 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.411 -13.494 21.204 1.00 0.00 H new ATOM 0 HG2 ARG A 2 7.631 -10.548 20.883 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.536 -11.112 22.539 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.337 -12.901 21.579 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.666 -11.567 20.491 1.00 0.00 H new ATOM 0 HE ARG A 2 9.652 -10.338 22.960 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.292 -13.162 21.610 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.708 -12.980 22.652 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.473 -10.117 24.294 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.809 -11.265 24.163 1.00 0.00 H new ATOM 44 N GLY A 3 5.871 -13.950 17.828 1.00 0.00 N ATOM 45 CA GLY A 3 6.010 -15.165 17.048 1.00 0.00 C ATOM 46 C GLY A 3 4.732 -15.539 16.323 1.00 0.00 C ATOM 47 O GLY A 3 4.590 -15.278 15.128 1.00 0.00 O ATOM 0 H GLY A 3 5.160 -13.302 17.489 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.812 -15.036 16.321 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.304 -15.983 17.705 1.00 0.00 H new ATOM 51 N SER A 4 3.800 -16.151 17.051 1.00 0.00 N ATOM 52 CA SER A 4 2.525 -16.565 16.476 1.00 0.00 C ATOM 53 C SER A 4 2.740 -17.466 15.263 1.00 0.00 C ATOM 54 O SER A 4 1.960 -17.437 14.311 1.00 0.00 O ATOM 55 CB SER A 4 1.696 -15.341 16.079 1.00 0.00 C ATOM 56 OG SER A 4 1.766 -14.334 17.074 1.00 0.00 O ATOM 0 H SER A 4 3.906 -16.371 18.041 1.00 0.00 H new ATOM 0 HA SER A 4 1.982 -17.131 17.233 1.00 0.00 H new ATOM 0 HB2 SER A 4 2.058 -14.945 15.130 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.657 -15.635 15.927 1.00 0.00 H new ATOM 0 HG SER A 4 1.230 -13.562 16.796 1.00 0.00 H new ATOM 62 N ASN A 5 3.806 -18.264 15.307 1.00 0.00 N ATOM 63 CA ASN A 5 4.135 -19.175 14.215 1.00 0.00 C ATOM 64 C ASN A 5 4.352 -18.413 12.910 1.00 0.00 C ATOM 65 O ASN A 5 4.236 -17.188 12.866 1.00 0.00 O ATOM 66 CB ASN A 5 3.026 -20.217 14.034 1.00 0.00 C ATOM 67 CG ASN A 5 3.527 -21.637 14.215 1.00 0.00 C ATOM 68 OD1 ASN A 5 4.706 -21.862 14.488 1.00 0.00 O ATOM 69 ND2 ASN A 5 2.632 -22.605 14.059 1.00 0.00 N ATOM 0 H ASN A 5 4.458 -18.297 16.091 1.00 0.00 H new ATOM 0 HA ASN A 5 5.063 -19.685 14.474 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.229 -20.022 14.751 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.592 -20.112 13.039 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.912 -23.580 14.165 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.665 -22.374 13.833 1.00 0.00 H new ATOM 76 N ALA A 6 4.670 -19.148 11.851 1.00 0.00 N ATOM 77 CA ALA A 6 4.905 -18.546 10.544 1.00 0.00 C ATOM 78 C ALA A 6 4.603 -19.540 9.423 1.00 0.00 C ATOM 79 O ALA A 6 5.506 -19.977 8.711 1.00 0.00 O ATOM 80 CB ALA A 6 6.339 -18.050 10.443 1.00 0.00 C ATOM 0 H ALA A 6 4.771 -20.163 11.872 1.00 0.00 H new ATOM 0 HA ALA A 6 4.231 -17.696 10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.501 -17.603 9.462 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.521 -17.304 11.217 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.024 -18.887 10.578 1.00 0.00 H new ATOM 86 N PRO A 7 3.320 -19.912 9.251 1.00 0.00 N ATOM 87 CA PRO A 7 2.908 -20.858 8.209 1.00 0.00 C ATOM 88 C PRO A 7 3.019 -20.261 6.811 1.00 0.00 C ATOM 89 O PRO A 7 3.194 -19.052 6.654 1.00 0.00 O ATOM 90 CB PRO A 7 1.447 -21.154 8.554 1.00 0.00 C ATOM 91 CG PRO A 7 0.980 -19.949 9.293 1.00 0.00 C ATOM 92 CD PRO A 7 2.174 -19.439 10.053 1.00 0.00 C ATOM 0 HA PRO A 7 3.541 -21.745 8.189 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.854 -21.321 7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.359 -22.052 9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.603 -19.192 8.606 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.164 -20.199 9.971 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.163 -18.352 10.136 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.203 -19.836 11.068 1.00 0.00 H new ATOM 100 N GLN A 8 2.919 -21.116 5.798 1.00 0.00 N ATOM 101 CA GLN A 8 3.012 -20.673 4.412 1.00 0.00 C ATOM 102 C GLN A 8 1.624 -20.544 3.787 1.00 0.00 C ATOM 103 O GLN A 8 0.979 -21.547 3.480 1.00 0.00 O ATOM 104 CB GLN A 8 3.862 -21.653 3.599 1.00 0.00 C ATOM 105 CG GLN A 8 5.097 -22.140 4.336 1.00 0.00 C ATOM 106 CD GLN A 8 5.487 -23.554 3.951 1.00 0.00 C ATOM 107 OE1 GLN A 8 4.677 -24.479 4.036 1.00 0.00 O ATOM 108 NE2 GLN A 8 6.733 -23.730 3.527 1.00 0.00 N ATOM 0 H GLN A 8 2.774 -22.119 5.911 1.00 0.00 H new ATOM 0 HA GLN A 8 3.488 -19.692 4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.250 -22.512 3.325 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.169 -21.172 2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.929 -21.468 4.126 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.915 -22.097 5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.370 -22.935 3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.053 -24.660 3.256 1.00 0.00 H new ATOM 117 N PRO A 9 1.140 -19.302 3.592 1.00 0.00 N ATOM 118 CA PRO A 9 -0.178 -19.054 3.003 1.00 0.00 C ATOM 119 C PRO A 9 -0.184 -19.227 1.488 1.00 0.00 C ATOM 120 O PRO A 9 0.838 -19.564 0.888 1.00 0.00 O ATOM 121 CB PRO A 9 -0.450 -17.598 3.375 1.00 0.00 C ATOM 122 CG PRO A 9 0.900 -16.972 3.437 1.00 0.00 C ATOM 123 CD PRO A 9 1.837 -18.043 3.930 1.00 0.00 C ATOM 0 HA PRO A 9 -0.929 -19.755 3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.081 -17.109 2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.967 -17.522 4.332 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.206 -16.608 2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.901 -16.114 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.809 -17.980 3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.013 -17.958 5.002 1.00 0.00 H new ATOM 131 N SER A 10 -1.340 -18.993 0.878 1.00 0.00 N ATOM 132 CA SER A 10 -1.485 -19.120 -0.569 1.00 0.00 C ATOM 133 C SER A 10 -1.014 -17.853 -1.275 1.00 0.00 C ATOM 134 O SER A 10 -1.024 -17.775 -2.504 1.00 0.00 O ATOM 135 CB SER A 10 -2.942 -19.408 -0.932 1.00 0.00 C ATOM 136 OG SER A 10 -3.491 -20.410 -0.095 1.00 0.00 O ATOM 0 H SER A 10 -2.193 -18.714 1.363 1.00 0.00 H new ATOM 0 HA SER A 10 -0.864 -19.952 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.529 -18.494 -0.842 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.004 -19.726 -1.973 1.00 0.00 H new ATOM 0 HG SER A 10 -4.424 -20.573 -0.348 1.00 0.00 H new ATOM 142 N HIS A 11 -0.605 -16.862 -0.489 1.00 0.00 N ATOM 143 CA HIS A 11 -0.132 -15.596 -1.036 1.00 0.00 C ATOM 144 C HIS A 11 1.080 -15.087 -0.260 1.00 0.00 C ATOM 145 O HIS A 11 1.800 -15.867 0.363 1.00 0.00 O ATOM 146 CB HIS A 11 -1.252 -14.553 -1.004 1.00 0.00 C ATOM 147 CG HIS A 11 -1.205 -13.587 -2.149 1.00 0.00 C ATOM 148 ND1 HIS A 11 -1.213 -12.230 -1.938 1.00 0.00 N ATOM 149 CD2 HIS A 11 -1.149 -13.829 -3.482 1.00 0.00 C ATOM 150 CE1 HIS A 11 -1.160 -11.677 -3.137 1.00 0.00 C ATOM 151 NE2 HIS A 11 -1.120 -12.606 -4.103 1.00 0.00 N ATOM 0 H HIS A 11 -0.592 -16.912 0.530 1.00 0.00 H new ATOM 0 HA HIS A 11 0.168 -15.764 -2.070 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.214 -15.065 -1.011 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.193 -13.997 -0.068 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.131 -14.796 -3.962 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.150 -10.612 -3.316 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.076 -12.436 -5.108 1.00 0.00 H new ATOM 159 N ILE A 12 1.298 -13.777 -0.302 1.00 0.00 N ATOM 160 CA ILE A 12 2.419 -13.164 0.395 1.00 0.00 C ATOM 161 C ILE A 12 2.214 -13.186 1.904 1.00 0.00 C ATOM 162 O ILE A 12 1.093 -13.038 2.391 1.00 0.00 O ATOM 163 CB ILE A 12 2.638 -11.712 -0.059 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.005 -11.224 0.402 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.535 -10.805 0.469 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.149 -12.109 -0.043 1.00 0.00 C ATOM 0 H ILE A 12 0.710 -13.119 -0.814 1.00 0.00 H new ATOM 0 HA ILE A 12 3.301 -13.753 0.144 1.00 0.00 H new ATOM 0 HB ILE A 12 2.603 -11.679 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.168 -10.216 0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.010 -11.159 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.713 -9.783 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.571 -11.148 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.530 -10.834 1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.090 -11.698 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.010 -13.113 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.171 -12.155 -1.132 1.00 0.00 H new ATOM 178 N SER A 13 3.306 -13.356 2.643 1.00 0.00 N ATOM 179 CA SER A 13 3.240 -13.374 4.094 1.00 0.00 C ATOM 180 C SER A 13 2.748 -12.026 4.602 1.00 0.00 C ATOM 181 O SER A 13 1.884 -11.956 5.475 1.00 0.00 O ATOM 182 CB SER A 13 4.612 -13.693 4.691 1.00 0.00 C ATOM 183 OG SER A 13 4.500 -14.609 5.765 1.00 0.00 O ATOM 0 H SER A 13 4.243 -13.483 2.259 1.00 0.00 H new ATOM 0 HA SER A 13 2.542 -14.152 4.404 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.260 -14.110 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.083 -12.774 5.040 1.00 0.00 H new ATOM 0 HG SER A 13 5.390 -14.798 6.128 1.00 0.00 H new ATOM 189 N LYS A 14 3.302 -10.955 4.035 1.00 0.00 N ATOM 190 CA LYS A 14 2.914 -9.601 4.421 1.00 0.00 C ATOM 191 C LYS A 14 3.448 -8.564 3.435 1.00 0.00 C ATOM 192 O LYS A 14 4.539 -8.711 2.897 1.00 0.00 O ATOM 193 CB LYS A 14 3.416 -9.282 5.833 1.00 0.00 C ATOM 194 CG LYS A 14 4.744 -9.938 6.178 1.00 0.00 C ATOM 195 CD LYS A 14 4.698 -10.600 7.547 1.00 0.00 C ATOM 196 CE LYS A 14 6.021 -10.454 8.283 1.00 0.00 C ATOM 197 NZ LYS A 14 6.987 -11.522 7.904 1.00 0.00 N ATOM 0 H LYS A 14 4.018 -10.999 3.310 1.00 0.00 H new ATOM 0 HA LYS A 14 1.825 -9.555 4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.518 -8.202 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.665 -9.602 6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.991 -10.682 5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.536 -9.190 6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.899 -10.155 8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.459 -11.657 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.454 -9.478 8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.844 -10.489 9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.893 -11.359 8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.607 -12.449 8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.137 -11.506 6.875 1.00 0.00 H new ATOM 211 N TYR A 15 2.670 -7.508 3.219 1.00 0.00 N ATOM 212 CA TYR A 15 3.053 -6.428 2.314 1.00 0.00 C ATOM 213 C TYR A 15 3.586 -5.248 3.119 1.00 0.00 C ATOM 214 O TYR A 15 3.104 -4.971 4.217 1.00 0.00 O ATOM 215 CB TYR A 15 1.841 -5.958 1.498 1.00 0.00 C ATOM 216 CG TYR A 15 1.784 -6.462 0.071 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.677 -5.997 -0.887 1.00 0.00 C ATOM 218 CD2 TYR A 15 0.824 -7.388 -0.320 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.616 -6.445 -2.194 1.00 0.00 C ATOM 220 CE2 TYR A 15 0.757 -7.839 -1.624 1.00 0.00 C ATOM 221 CZ TYR A 15 1.655 -7.365 -2.557 1.00 0.00 C ATOM 222 OH TYR A 15 1.591 -7.812 -3.856 1.00 0.00 O ATOM 0 H TYR A 15 1.761 -7.376 3.663 1.00 0.00 H new ATOM 0 HA TYR A 15 3.823 -6.801 1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.933 -6.273 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.836 -4.868 1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.430 -5.275 -0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.119 -7.761 0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.318 -6.076 -2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.005 -8.559 -1.911 1.00 0.00 H new ATOM 0 HH TYR A 15 0.859 -8.457 -3.944 1.00 0.00 H new ATOM 232 N ILE A 16 4.568 -4.546 2.567 1.00 0.00 N ATOM 233 CA ILE A 16 5.141 -3.389 3.239 1.00 0.00 C ATOM 234 C ILE A 16 4.853 -2.130 2.439 1.00 0.00 C ATOM 235 O ILE A 16 5.232 -2.019 1.274 1.00 0.00 O ATOM 236 CB ILE A 16 6.669 -3.538 3.465 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.952 -3.882 4.930 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.420 -2.268 3.073 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.540 -2.791 5.900 1.00 0.00 C ATOM 0 H ILE A 16 4.982 -4.757 1.659 1.00 0.00 H new ATOM 0 HA ILE A 16 4.673 -3.317 4.221 1.00 0.00 H new ATOM 0 HB ILE A 16 7.023 -4.348 2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.427 -4.802 5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.017 -4.079 5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.487 -2.409 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.247 -2.054 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.063 -1.433 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.770 -3.104 6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.084 -1.875 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.469 -2.609 5.810 1.00 0.00 H new ATOM 251 N LEU A 17 4.175 -1.186 3.067 1.00 0.00 N ATOM 252 CA LEU A 17 3.841 0.057 2.403 1.00 0.00 C ATOM 253 C LEU A 17 4.653 1.201 2.979 1.00 0.00 C ATOM 254 O LEU A 17 4.485 1.576 4.140 1.00 0.00 O ATOM 255 CB LEU A 17 2.350 0.348 2.542 1.00 0.00 C ATOM 256 CG LEU A 17 1.794 1.349 1.530 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.748 0.689 0.645 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.206 2.554 2.245 1.00 0.00 C ATOM 0 H LEU A 17 3.847 -1.257 4.030 1.00 0.00 H new ATOM 0 HA LEU A 17 4.082 -0.042 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.801 -0.589 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.160 0.725 3.547 1.00 0.00 H new ATOM 0 HG LEU A 17 2.612 1.690 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.364 1.417 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.200 -0.144 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.071 0.320 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.814 3.258 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.400 2.229 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.982 3.041 2.836 1.00 0.00 H new ATOM 270 N ARG A 18 5.525 1.760 2.154 1.00 0.00 N ATOM 271 CA ARG A 18 6.355 2.873 2.571 1.00 0.00 C ATOM 272 C ARG A 18 5.989 4.111 1.776 1.00 0.00 C ATOM 273 O ARG A 18 5.928 4.072 0.547 1.00 0.00 O ATOM 274 CB ARG A 18 7.837 2.542 2.384 1.00 0.00 C ATOM 275 CG ARG A 18 8.364 1.519 3.369 1.00 0.00 C ATOM 276 CD ARG A 18 9.314 0.549 2.689 1.00 0.00 C ATOM 277 NE ARG A 18 10.240 1.228 1.786 1.00 0.00 N ATOM 278 CZ ARG A 18 11.243 1.998 2.199 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.450 2.186 3.495 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.041 2.580 1.314 1.00 0.00 N ATOM 0 H ARG A 18 5.674 1.459 1.191 1.00 0.00 H new ATOM 0 HA ARG A 18 6.180 3.063 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.992 2.171 1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.419 3.458 2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.879 2.026 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.532 0.970 3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.880 0.006 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.739 -0.189 2.130 1.00 0.00 H new ATOM 0 HE ARG A 18 10.110 1.105 0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.839 1.740 4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.220 2.777 3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.886 2.437 0.316 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.810 3.170 1.631 1.00 0.00 H new ATOM 294 N TRP A 19 5.736 5.208 2.475 1.00 0.00 N ATOM 295 CA TRP A 19 5.367 6.442 1.805 1.00 0.00 C ATOM 296 C TRP A 19 5.927 7.664 2.513 1.00 0.00 C ATOM 297 O TRP A 19 6.046 7.695 3.739 1.00 0.00 O ATOM 298 CB TRP A 19 3.843 6.544 1.659 1.00 0.00 C ATOM 299 CG TRP A 19 3.126 6.962 2.907 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.672 8.214 3.211 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.767 6.124 4.012 1.00 0.00 C ATOM 302 NE1 TRP A 19 2.049 8.204 4.437 1.00 0.00 N ATOM 303 CE2 TRP A 19 2.097 6.933 4.949 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.946 4.767 4.299 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.607 6.430 6.150 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.460 4.270 5.494 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.796 5.100 6.407 1.00 0.00 C ATOM 0 H TRP A 19 5.779 5.268 3.492 1.00 0.00 H new ATOM 0 HA TRP A 19 5.810 6.417 0.809 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.613 7.257 0.867 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.456 5.577 1.339 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.786 9.084 2.581 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.621 9.011 4.891 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.454 4.119 3.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 1.095 7.068 6.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.594 3.224 5.728 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.426 4.681 7.331 1.00 0.00 H new ATOM 318 N ARG A 20 6.274 8.666 1.714 1.00 0.00 N ATOM 319 CA ARG A 20 6.832 9.910 2.232 1.00 0.00 C ATOM 320 C ARG A 20 6.504 11.071 1.293 1.00 0.00 C ATOM 321 O ARG A 20 6.443 10.895 0.077 1.00 0.00 O ATOM 322 CB ARG A 20 8.350 9.771 2.413 1.00 0.00 C ATOM 323 CG ARG A 20 9.158 10.963 1.915 1.00 0.00 C ATOM 324 CD ARG A 20 9.637 10.751 0.488 1.00 0.00 C ATOM 325 NE ARG A 20 11.086 10.583 0.416 1.00 0.00 N ATOM 326 CZ ARG A 20 11.885 11.375 -0.291 1.00 0.00 C ATOM 327 NH1 ARG A 20 11.380 12.389 -0.982 1.00 0.00 N ATOM 328 NH2 ARG A 20 13.194 11.156 -0.306 1.00 0.00 N ATOM 0 H ARG A 20 6.178 8.641 0.699 1.00 0.00 H new ATOM 0 HA ARG A 20 6.385 10.120 3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.565 9.619 3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.685 8.876 1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.548 11.865 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.016 11.122 2.569 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.149 9.871 0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.340 11.602 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 20 11.508 9.815 0.938 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.375 12.563 -0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.997 12.995 -1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.587 10.379 0.225 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.807 11.764 -0.849 1.00 0.00 H new ATOM 342 N PRO A 21 6.285 12.279 1.844 1.00 0.00 N ATOM 343 CA PRO A 21 5.958 13.463 1.041 1.00 0.00 C ATOM 344 C PRO A 21 7.039 13.785 0.018 1.00 0.00 C ATOM 345 O PRO A 21 8.139 14.203 0.373 1.00 0.00 O ATOM 346 CB PRO A 21 5.851 14.584 2.080 1.00 0.00 C ATOM 347 CG PRO A 21 5.575 13.883 3.362 1.00 0.00 C ATOM 348 CD PRO A 21 6.331 12.590 3.284 1.00 0.00 C ATOM 0 HA PRO A 21 5.049 13.319 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.773 15.163 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.052 15.281 1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.904 14.479 4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.507 13.706 3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.354 12.696 3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.862 11.809 3.883 1.00 0.00 H new ATOM 356 N LYS A 22 6.717 13.581 -1.255 1.00 0.00 N ATOM 357 CA LYS A 22 7.661 13.849 -2.336 1.00 0.00 C ATOM 358 C LYS A 22 7.859 15.348 -2.543 1.00 0.00 C ATOM 359 O LYS A 22 8.789 15.769 -3.231 1.00 0.00 O ATOM 360 CB LYS A 22 7.172 13.210 -3.637 1.00 0.00 C ATOM 361 CG LYS A 22 7.761 11.834 -3.904 1.00 0.00 C ATOM 362 CD LYS A 22 9.261 11.903 -4.149 1.00 0.00 C ATOM 363 CE LYS A 22 9.871 10.515 -4.268 1.00 0.00 C ATOM 364 NZ LYS A 22 10.558 10.100 -3.013 1.00 0.00 N ATOM 0 H LYS A 22 5.810 13.231 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 22 8.619 13.413 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.085 13.130 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.419 13.869 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.560 11.181 -3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.271 11.390 -4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.456 12.467 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.740 12.443 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.089 9.795 -4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.583 10.501 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.826 9.097 -3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.411 10.679 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.916 10.234 -2.205 1.00 0.00 H new ATOM 378 N ASN A 23 6.976 16.150 -1.955 1.00 0.00 N ATOM 379 CA ASN A 23 7.056 17.603 -2.092 1.00 0.00 C ATOM 380 C ASN A 23 7.784 18.238 -0.911 1.00 0.00 C ATOM 381 O ASN A 23 8.373 19.312 -1.041 1.00 0.00 O ATOM 382 CB ASN A 23 5.652 18.198 -2.217 1.00 0.00 C ATOM 383 CG ASN A 23 4.780 17.882 -1.018 1.00 0.00 C ATOM 384 OD1 ASN A 23 4.956 18.451 0.059 1.00 0.00 O ATOM 385 ND2 ASN A 23 3.833 16.969 -1.201 1.00 0.00 N ATOM 0 H ASN A 23 6.199 15.821 -1.381 1.00 0.00 H new ATOM 0 HA ASN A 23 7.625 17.820 -2.996 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.728 19.279 -2.332 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.177 17.814 -3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.215 16.714 -0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.724 16.523 -2.112 1.00 0.00 H new ATOM 392 N SER A 24 7.737 17.577 0.241 1.00 0.00 N ATOM 393 CA SER A 24 8.391 18.091 1.441 1.00 0.00 C ATOM 394 C SER A 24 9.660 17.306 1.755 1.00 0.00 C ATOM 395 O SER A 24 10.473 17.730 2.578 1.00 0.00 O ATOM 396 CB SER A 24 7.435 18.035 2.632 1.00 0.00 C ATOM 397 OG SER A 24 7.040 19.335 3.032 1.00 0.00 O ATOM 0 H SER A 24 7.255 16.687 0.370 1.00 0.00 H new ATOM 0 HA SER A 24 8.668 19.128 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.554 17.449 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.918 17.526 3.466 1.00 0.00 H new ATOM 0 HG SER A 24 6.427 19.271 3.794 1.00 0.00 H new ATOM 403 N VAL A 25 9.824 16.163 1.094 1.00 0.00 N ATOM 404 CA VAL A 25 10.995 15.316 1.303 1.00 0.00 C ATOM 405 C VAL A 25 11.226 15.050 2.788 1.00 0.00 C ATOM 406 O VAL A 25 12.177 15.562 3.381 1.00 0.00 O ATOM 407 CB VAL A 25 12.256 15.943 0.698 1.00 0.00 C ATOM 408 CG1 VAL A 25 13.341 14.895 0.505 1.00 0.00 C ATOM 409 CG2 VAL A 25 11.932 16.636 -0.618 1.00 0.00 C ATOM 0 H VAL A 25 9.160 15.802 0.409 1.00 0.00 H new ATOM 0 HA VAL A 25 10.795 14.371 0.798 1.00 0.00 H new ATOM 0 HB VAL A 25 12.632 16.693 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.226 15.363 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.596 14.454 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.979 14.116 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.840 17.075 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.527 15.909 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.196 17.421 -0.444 1.00 0.00 H new ATOM 419 N GLY A 26 10.346 14.250 3.385 1.00 0.00 N ATOM 420 CA GLY A 26 10.467 13.932 4.797 1.00 0.00 C ATOM 421 C GLY A 26 10.806 12.475 5.039 1.00 0.00 C ATOM 422 O GLY A 26 11.395 11.817 4.181 1.00 0.00 O ATOM 0 H GLY A 26 9.551 13.816 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.239 14.560 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.531 14.172 5.301 1.00 0.00 H new ATOM 426 N ARG A 27 10.430 11.968 6.211 1.00 0.00 N ATOM 427 CA ARG A 27 10.695 10.578 6.565 1.00 0.00 C ATOM 428 C ARG A 27 9.547 9.681 6.117 1.00 0.00 C ATOM 429 O ARG A 27 8.379 10.059 6.207 1.00 0.00 O ATOM 430 CB ARG A 27 10.909 10.440 8.074 1.00 0.00 C ATOM 431 CG ARG A 27 12.358 10.615 8.499 1.00 0.00 C ATOM 432 CD ARG A 27 12.480 11.556 9.688 1.00 0.00 C ATOM 433 NE ARG A 27 13.562 11.166 10.589 1.00 0.00 N ATOM 434 CZ ARG A 27 14.795 11.661 10.520 1.00 0.00 C ATOM 435 NH1 ARG A 27 15.104 12.555 9.590 1.00 0.00 N ATOM 436 NH2 ARG A 27 15.721 11.260 11.381 1.00 0.00 N ATOM 0 H ARG A 27 9.941 12.500 6.931 1.00 0.00 H new ATOM 0 HA ARG A 27 11.604 10.264 6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.296 11.179 8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.561 9.458 8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.783 9.645 8.756 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.939 11.005 7.663 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.655 12.571 9.330 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.539 11.569 10.237 1.00 0.00 H new ATOM 0 HE ARG A 27 13.361 10.475 11.312 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.395 12.865 8.925 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.050 12.933 9.540 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.488 10.572 12.097 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.666 11.640 11.327 1.00 0.00 H new ATOM 450 N TRP A 28 9.887 8.493 5.630 1.00 0.00 N ATOM 451 CA TRP A 28 8.885 7.543 5.164 1.00 0.00 C ATOM 452 C TRP A 28 8.133 6.916 6.333 1.00 0.00 C ATOM 453 O TRP A 28 8.433 7.184 7.498 1.00 0.00 O ATOM 454 CB TRP A 28 9.543 6.437 4.334 1.00 0.00 C ATOM 455 CG TRP A 28 10.249 6.933 3.108 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.399 7.668 3.062 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.852 6.721 1.749 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.743 7.924 1.756 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.807 7.354 0.931 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.781 6.057 1.144 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.722 7.341 -0.459 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.698 6.046 -0.235 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.663 6.682 -1.023 1.00 0.00 C ATOM 0 H TRP A 28 10.849 8.165 5.548 1.00 0.00 H new ATOM 0 HA TRP A 28 8.175 8.091 4.545 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.257 5.903 4.961 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.780 5.718 4.036 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.957 8.000 3.925 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.561 8.452 1.450 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.032 5.562 1.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.465 7.833 -1.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.874 5.538 -0.713 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.571 6.653 -2.099 1.00 0.00 H new ATOM 474 N LYS A 29 7.167 6.064 6.008 1.00 0.00 N ATOM 475 CA LYS A 29 6.373 5.369 7.012 1.00 0.00 C ATOM 476 C LYS A 29 6.155 3.930 6.566 1.00 0.00 C ATOM 477 O LYS A 29 6.092 3.660 5.370 1.00 0.00 O ATOM 478 CB LYS A 29 5.029 6.068 7.224 1.00 0.00 C ATOM 479 CG LYS A 29 5.000 6.973 8.446 1.00 0.00 C ATOM 480 CD LYS A 29 3.967 8.079 8.299 1.00 0.00 C ATOM 481 CE LYS A 29 2.712 7.784 9.105 1.00 0.00 C ATOM 482 NZ LYS A 29 3.030 7.382 10.504 1.00 0.00 N ATOM 0 H LYS A 29 6.914 5.837 5.046 1.00 0.00 H new ATOM 0 HA LYS A 29 6.909 5.382 7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.792 6.659 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.248 5.314 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.776 6.381 9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.986 7.413 8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.397 9.025 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.706 8.196 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.073 8.667 9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.147 6.989 8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.233 7.627 11.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.196 6.356 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.884 7.882 10.823 1.00 0.00 H new ATOM 496 N GLU A 30 6.067 3.008 7.517 1.00 0.00 N ATOM 497 CA GLU A 30 5.887 1.600 7.178 1.00 0.00 C ATOM 498 C GLU A 30 4.599 1.026 7.756 1.00 0.00 C ATOM 499 O GLU A 30 4.254 1.268 8.913 1.00 0.00 O ATOM 500 CB GLU A 30 7.082 0.784 7.673 1.00 0.00 C ATOM 501 CG GLU A 30 8.399 1.174 7.023 1.00 0.00 C ATOM 502 CD GLU A 30 9.585 0.982 7.950 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.503 0.117 8.846 1.00 0.00 O ATOM 504 OE2 GLU A 30 10.594 1.697 7.778 1.00 0.00 O ATOM 0 H GLU A 30 6.116 3.205 8.517 1.00 0.00 H new ATOM 0 HA GLU A 30 5.818 1.537 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.170 0.904 8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.893 -0.273 7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.546 0.578 6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.351 2.217 6.711 1.00 0.00 H new ATOM 511 N ALA A 31 3.906 0.247 6.932 1.00 0.00 N ATOM 512 CA ALA A 31 2.661 -0.396 7.328 1.00 0.00 C ATOM 513 C ALA A 31 2.597 -1.804 6.748 1.00 0.00 C ATOM 514 O ALA A 31 2.695 -1.988 5.535 1.00 0.00 O ATOM 515 CB ALA A 31 1.469 0.429 6.875 1.00 0.00 C ATOM 0 H ALA A 31 4.192 0.045 5.974 1.00 0.00 H new ATOM 0 HA ALA A 31 2.629 -0.466 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.547 -0.066 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.517 1.418 7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.486 0.528 5.790 1.00 0.00 H new ATOM 521 N THR A 32 2.456 -2.797 7.619 1.00 0.00 N ATOM 522 CA THR A 32 2.409 -4.189 7.182 1.00 0.00 C ATOM 523 C THR A 32 0.983 -4.708 7.050 1.00 0.00 C ATOM 524 O THR A 32 0.246 -4.805 8.031 1.00 0.00 O ATOM 525 CB THR A 32 3.188 -5.110 8.138 1.00 0.00 C ATOM 526 OG1 THR A 32 4.145 -4.347 8.884 1.00 0.00 O ATOM 527 CG2 THR A 32 3.899 -6.212 7.364 1.00 0.00 C ATOM 0 H THR A 32 2.373 -2.666 8.627 1.00 0.00 H new ATOM 0 HA THR A 32 2.878 -4.206 6.198 1.00 0.00 H new ATOM 0 HB THR A 32 2.478 -5.570 8.826 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.635 -4.940 9.491 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.443 -6.851 8.059 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.165 -6.808 6.822 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.598 -5.767 6.657 1.00 0.00 H new ATOM 535 N ILE A 33 0.620 -5.061 5.823 1.00 0.00 N ATOM 536 CA ILE A 33 -0.700 -5.599 5.521 1.00 0.00 C ATOM 537 C ILE A 33 -0.548 -6.783 4.564 1.00 0.00 C ATOM 538 O ILE A 33 -0.226 -6.596 3.396 1.00 0.00 O ATOM 539 CB ILE A 33 -1.613 -4.530 4.879 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.229 -3.128 5.357 1.00 0.00 C ATOM 541 CG2 ILE A 33 -3.067 -4.809 5.206 1.00 0.00 C ATOM 542 CD1 ILE A 33 -1.247 -2.091 4.254 1.00 0.00 C ATOM 0 H ILE A 33 1.232 -4.982 5.011 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.164 -5.920 6.454 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.479 -4.576 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.915 -2.820 6.146 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.232 -3.162 5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.696 -4.047 4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.345 -5.790 4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.207 -4.791 6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.965 -1.121 4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.540 -2.376 3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.249 -2.029 3.829 1.00 0.00 H new ATOM 554 N PRO A 34 -0.740 -8.024 5.052 1.00 0.00 N ATOM 555 CA PRO A 34 -0.576 -9.233 4.228 1.00 0.00 C ATOM 556 C PRO A 34 -1.504 -9.293 3.012 1.00 0.00 C ATOM 557 O PRO A 34 -1.977 -8.268 2.519 1.00 0.00 O ATOM 558 CB PRO A 34 -0.867 -10.384 5.199 1.00 0.00 C ATOM 559 CG PRO A 34 -0.688 -9.800 6.558 1.00 0.00 C ATOM 560 CD PRO A 34 -1.087 -8.356 6.445 1.00 0.00 C ATOM 0 HA PRO A 34 0.422 -9.268 3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.879 -10.767 5.065 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.186 -11.219 5.036 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.306 -10.319 7.290 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.346 -9.894 6.890 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.150 -8.215 6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.546 -7.731 7.156 1.00 0.00 H new ATOM 568 N GLY A 35 -1.726 -10.510 2.516 1.00 0.00 N ATOM 569 CA GLY A 35 -2.559 -10.718 1.339 1.00 0.00 C ATOM 570 C GLY A 35 -4.012 -10.311 1.516 1.00 0.00 C ATOM 571 O GLY A 35 -4.761 -10.974 2.231 1.00 0.00 O ATOM 0 H GLY A 35 -1.339 -11.366 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.136 -10.156 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.521 -11.772 1.064 1.00 0.00 H new ATOM 575 N HIS A 36 -4.389 -9.228 0.827 1.00 0.00 N ATOM 576 CA HIS A 36 -5.754 -8.675 0.835 1.00 0.00 C ATOM 577 C HIS A 36 -6.705 -9.408 1.788 1.00 0.00 C ATOM 578 O HIS A 36 -7.639 -10.088 1.361 1.00 0.00 O ATOM 579 CB HIS A 36 -6.316 -8.690 -0.587 1.00 0.00 C ATOM 580 CG HIS A 36 -6.164 -10.010 -1.277 1.00 0.00 C ATOM 581 ND1 HIS A 36 -7.156 -10.959 -1.237 1.00 0.00 N ATOM 582 CD2 HIS A 36 -5.125 -10.485 -2.004 1.00 0.00 C ATOM 583 CE1 HIS A 36 -6.703 -11.985 -1.935 1.00 0.00 C ATOM 584 NE2 HIS A 36 -5.475 -11.744 -2.419 1.00 0.00 N ATOM 0 H HIS A 36 -3.746 -8.700 0.237 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.682 -7.653 1.206 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.373 -8.426 -0.554 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.814 -7.922 -1.175 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -8.057 -10.886 -0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.199 -9.971 -2.216 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.251 -12.901 -2.096 1.00 0.00 H new ATOM 592 N LEU A 37 -6.455 -9.245 3.079 1.00 0.00 N ATOM 593 CA LEU A 37 -7.268 -9.862 4.130 1.00 0.00 C ATOM 594 C LEU A 37 -8.502 -9.021 4.450 1.00 0.00 C ATOM 595 O LEU A 37 -9.235 -9.332 5.388 1.00 0.00 O ATOM 596 CB LEU A 37 -6.450 -10.056 5.421 1.00 0.00 C ATOM 597 CG LEU A 37 -5.174 -9.219 5.540 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.812 -8.975 7.001 1.00 0.00 C ATOM 599 CD2 LEU A 37 -4.033 -9.902 4.819 1.00 0.00 C ATOM 0 H LEU A 37 -5.682 -8.681 3.433 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.587 -10.833 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.092 -9.827 6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.179 -11.109 5.501 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.357 -8.251 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.902 -8.378 7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.625 -8.442 7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.650 -9.930 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.131 -9.297 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.859 -10.883 5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.286 -10.019 3.765 1.00 0.00 H new ATOM 611 N ASN A 38 -8.653 -7.900 3.739 1.00 0.00 N ATOM 612 CA ASN A 38 -9.721 -6.935 4.011 1.00 0.00 C ATOM 613 C ASN A 38 -9.198 -6.104 5.159 1.00 0.00 C ATOM 614 O ASN A 38 -9.926 -5.533 5.973 1.00 0.00 O ATOM 615 CB ASN A 38 -11.056 -7.593 4.370 1.00 0.00 C ATOM 616 CG ASN A 38 -12.226 -6.630 4.254 1.00 0.00 C ATOM 617 OD1 ASN A 38 -13.382 -7.052 4.197 1.00 0.00 O ATOM 618 ND2 ASN A 38 -11.939 -5.328 4.218 1.00 0.00 N ATOM 0 H ASN A 38 -8.043 -7.637 2.965 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.944 -6.344 3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.225 -8.447 3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.006 -7.979 5.388 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.690 -4.642 4.141 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.968 -5.018 4.268 1.00 0.00 H new ATOM 625 N SER A 39 -7.883 -6.114 5.182 1.00 0.00 N ATOM 626 CA SER A 39 -7.046 -5.459 6.154 1.00 0.00 C ATOM 627 C SER A 39 -6.963 -3.969 5.943 1.00 0.00 C ATOM 628 O SER A 39 -7.550 -3.407 5.018 1.00 0.00 O ATOM 629 CB SER A 39 -5.662 -6.059 6.132 1.00 0.00 C ATOM 630 OG SER A 39 -4.952 -5.756 7.321 1.00 0.00 O ATOM 0 H SER A 39 -7.340 -6.612 4.477 1.00 0.00 H new ATOM 0 HA SER A 39 -7.506 -5.619 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.734 -7.140 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.112 -5.680 5.271 1.00 0.00 H new ATOM 0 HG SER A 39 -5.239 -6.361 8.036 1.00 0.00 H new ATOM 636 N TYR A 40 -6.260 -3.343 6.860 1.00 0.00 N ATOM 637 CA TYR A 40 -6.099 -1.912 6.883 1.00 0.00 C ATOM 638 C TYR A 40 -5.200 -1.418 5.754 1.00 0.00 C ATOM 639 O TYR A 40 -3.984 -1.605 5.767 1.00 0.00 O ATOM 640 CB TYR A 40 -5.444 -1.565 8.213 1.00 0.00 C ATOM 641 CG TYR A 40 -4.826 -0.187 8.261 1.00 0.00 C ATOM 642 CD1 TYR A 40 -5.606 0.954 8.377 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.449 -0.040 8.176 1.00 0.00 C ATOM 644 CE1 TYR A 40 -5.027 2.209 8.411 1.00 0.00 C ATOM 645 CE2 TYR A 40 -2.861 1.210 8.209 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.655 2.331 8.327 1.00 0.00 C ATOM 647 OH TYR A 40 -3.076 3.579 8.358 1.00 0.00 O ATOM 0 H TYR A 40 -5.778 -3.823 7.620 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.072 -1.438 6.757 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.190 -1.643 9.004 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.672 -2.304 8.428 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.680 0.861 8.442 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.826 -0.917 8.082 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.645 3.090 8.503 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.788 1.308 8.143 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.102 3.490 8.290 1.00 0.00 H new ATOM 657 N THR A 41 -5.835 -0.763 4.784 1.00 0.00 N ATOM 658 CA THR A 41 -5.135 -0.198 3.638 1.00 0.00 C ATOM 659 C THR A 41 -5.022 1.317 3.796 1.00 0.00 C ATOM 660 O THR A 41 -5.946 1.965 4.288 1.00 0.00 O ATOM 661 CB THR A 41 -5.865 -0.517 2.320 1.00 0.00 C ATOM 662 OG1 THR A 41 -7.112 0.187 2.268 1.00 0.00 O ATOM 663 CG2 THR A 41 -6.117 -2.011 2.191 1.00 0.00 C ATOM 0 H THR A 41 -6.844 -0.611 4.772 1.00 0.00 H new ATOM 0 HA THR A 41 -4.142 -0.646 3.599 1.00 0.00 H new ATOM 0 HB THR A 41 -5.232 -0.197 1.492 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.569 -0.020 1.426 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.634 -2.213 1.253 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.166 -2.543 2.203 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.733 -2.349 3.024 1.00 0.00 H new ATOM 671 N ILE A 42 -3.888 1.878 3.392 1.00 0.00 N ATOM 672 CA ILE A 42 -3.666 3.318 3.510 1.00 0.00 C ATOM 673 C ILE A 42 -4.302 4.083 2.354 1.00 0.00 C ATOM 674 O ILE A 42 -4.099 3.752 1.185 1.00 0.00 O ATOM 675 CB ILE A 42 -2.159 3.647 3.587 1.00 0.00 C ATOM 676 CG1 ILE A 42 -1.644 3.392 5.001 1.00 0.00 C ATOM 677 CG2 ILE A 42 -1.886 5.089 3.178 1.00 0.00 C ATOM 678 CD1 ILE A 42 -0.612 2.295 5.075 1.00 0.00 C ATOM 0 H ILE A 42 -3.110 1.362 2.981 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.144 3.636 4.437 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.632 2.997 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.213 4.313 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.485 3.133 5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.817 5.289 3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.223 5.247 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.423 5.764 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.290 2.167 6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.045 1.363 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.246 2.561 4.458 1.00 0.00 H new ATOM 690 N LYS A 43 -5.071 5.114 2.698 1.00 0.00 N ATOM 691 CA LYS A 43 -5.746 5.945 1.707 1.00 0.00 C ATOM 692 C LYS A 43 -6.437 7.127 2.380 1.00 0.00 C ATOM 693 O LYS A 43 -6.247 7.372 3.572 1.00 0.00 O ATOM 694 CB LYS A 43 -6.776 5.120 0.934 1.00 0.00 C ATOM 695 CG LYS A 43 -7.773 4.406 1.832 1.00 0.00 C ATOM 696 CD LYS A 43 -8.904 3.783 1.029 1.00 0.00 C ATOM 697 CE LYS A 43 -9.433 2.524 1.698 1.00 0.00 C ATOM 698 NZ LYS A 43 -10.106 2.823 2.993 1.00 0.00 N ATOM 0 H LYS A 43 -5.242 5.394 3.664 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.996 6.323 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.317 5.775 0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.256 4.383 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.260 3.631 2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.184 5.112 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.713 4.505 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.551 3.543 0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.136 2.026 1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.610 1.830 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.452 1.939 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.429 3.275 3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.908 3.465 2.828 1.00 0.00 H new ATOM 712 N GLY A 44 -7.244 7.850 1.610 1.00 0.00 N ATOM 713 CA GLY A 44 -7.961 8.994 2.144 1.00 0.00 C ATOM 714 C GLY A 44 -7.041 10.020 2.778 1.00 0.00 C ATOM 715 O GLY A 44 -6.831 10.012 3.992 1.00 0.00 O ATOM 0 H GLY A 44 -7.415 7.663 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.529 9.467 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.682 8.651 2.886 1.00 0.00 H new ATOM 719 N LEU A 45 -6.496 10.908 1.953 1.00 0.00 N ATOM 720 CA LEU A 45 -5.596 11.949 2.434 1.00 0.00 C ATOM 721 C LEU A 45 -6.222 13.333 2.216 1.00 0.00 C ATOM 722 O LEU A 45 -7.231 13.455 1.523 1.00 0.00 O ATOM 723 CB LEU A 45 -4.234 11.828 1.730 1.00 0.00 C ATOM 724 CG LEU A 45 -3.532 10.465 1.870 1.00 0.00 C ATOM 725 CD1 LEU A 45 -3.643 9.923 3.289 1.00 0.00 C ATOM 726 CD2 LEU A 45 -4.103 9.469 0.873 1.00 0.00 C ATOM 0 H LEU A 45 -6.662 10.927 0.947 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.435 11.823 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.373 12.038 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.572 12.600 2.123 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.474 10.612 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.136 8.960 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.178 10.623 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.694 9.798 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.596 8.511 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.169 9.339 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.954 9.842 -0.140 1.00 0.00 H new ATOM 738 N LYS A 46 -5.643 14.371 2.829 1.00 0.00 N ATOM 739 CA LYS A 46 -6.188 15.729 2.711 1.00 0.00 C ATOM 740 C LYS A 46 -5.482 16.555 1.627 1.00 0.00 C ATOM 741 O LYS A 46 -4.260 16.684 1.628 1.00 0.00 O ATOM 742 CB LYS A 46 -6.100 16.451 4.055 1.00 0.00 C ATOM 743 CG LYS A 46 -4.687 16.560 4.598 1.00 0.00 C ATOM 744 CD LYS A 46 -4.368 17.971 5.059 1.00 0.00 C ATOM 745 CE LYS A 46 -5.211 18.370 6.260 1.00 0.00 C ATOM 746 NZ LYS A 46 -4.374 18.872 7.385 1.00 0.00 N ATOM 0 H LYS A 46 -4.805 14.299 3.407 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.232 15.629 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.517 17.452 3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.719 15.925 4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.563 15.869 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.977 16.260 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.311 18.040 5.316 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.544 18.670 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.922 19.142 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.793 17.512 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.987 19.133 8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.713 18.127 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.837 19.706 7.073 1.00 0.00 H new ATOM 760 N PRO A 47 -6.265 17.127 0.685 1.00 0.00 N ATOM 761 CA PRO A 47 -5.772 17.939 -0.430 1.00 0.00 C ATOM 762 C PRO A 47 -4.519 18.759 -0.126 1.00 0.00 C ATOM 763 O PRO A 47 -4.411 19.391 0.924 1.00 0.00 O ATOM 764 CB PRO A 47 -6.949 18.878 -0.730 1.00 0.00 C ATOM 765 CG PRO A 47 -8.129 18.345 0.032 1.00 0.00 C ATOM 766 CD PRO A 47 -7.724 17.024 0.623 1.00 0.00 C ATOM 0 HA PRO A 47 -5.466 17.297 -1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.719 19.898 -0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.159 18.906 -1.799 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.426 19.041 0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.988 18.223 -0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.161 16.872 1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.044 16.188 0.001 1.00 0.00 H new ATOM 774 N GLY A 48 -3.591 18.769 -1.088 1.00 0.00 N ATOM 775 CA GLY A 48 -2.369 19.544 -0.951 1.00 0.00 C ATOM 776 C GLY A 48 -1.145 18.732 -0.563 1.00 0.00 C ATOM 777 O GLY A 48 -0.046 19.281 -0.482 1.00 0.00 O ATOM 0 H GLY A 48 -3.668 18.250 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.168 20.051 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.528 20.318 -0.201 1.00 0.00 H new ATOM 781 N VAL A 49 -1.314 17.437 -0.306 1.00 0.00 N ATOM 782 CA VAL A 49 -0.177 16.605 0.089 1.00 0.00 C ATOM 783 C VAL A 49 0.038 15.411 -0.838 1.00 0.00 C ATOM 784 O VAL A 49 -0.867 14.605 -1.045 1.00 0.00 O ATOM 785 CB VAL A 49 -0.326 16.080 1.534 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.009 16.134 2.259 1.00 0.00 C ATOM 787 CG2 VAL A 49 -1.381 16.869 2.297 1.00 0.00 C ATOM 0 H VAL A 49 -2.207 16.948 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 49 0.691 17.261 0.020 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.653 15.041 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.886 15.761 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.735 15.516 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.364 17.164 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.465 16.478 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.092 17.919 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.342 16.775 1.791 1.00 0.00 H new ATOM 797 N VAL A 50 1.260 15.272 -1.351 1.00 0.00 N ATOM 798 CA VAL A 50 1.603 14.140 -2.204 1.00 0.00 C ATOM 799 C VAL A 50 2.461 13.159 -1.415 1.00 0.00 C ATOM 800 O VAL A 50 3.249 13.565 -0.559 1.00 0.00 O ATOM 801 CB VAL A 50 2.354 14.562 -3.496 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.800 14.094 -3.476 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.657 14.004 -4.726 1.00 0.00 C ATOM 0 H VAL A 50 2.025 15.928 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 50 0.668 13.675 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 50 2.344 15.651 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.296 14.406 -4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.313 14.533 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.830 13.007 -3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.198 14.310 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.636 12.916 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.637 14.385 -4.770 1.00 0.00 H new ATOM 813 N TYR A 51 2.307 11.876 -1.695 1.00 0.00 N ATOM 814 CA TYR A 51 3.075 10.858 -0.997 1.00 0.00 C ATOM 815 C TYR A 51 3.574 9.794 -1.963 1.00 0.00 C ATOM 816 O TYR A 51 2.800 9.247 -2.750 1.00 0.00 O ATOM 817 CB TYR A 51 2.225 10.201 0.091 1.00 0.00 C ATOM 818 CG TYR A 51 1.885 11.119 1.246 1.00 0.00 C ATOM 819 CD1 TYR A 51 2.861 11.523 2.149 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.587 11.577 1.435 1.00 0.00 C ATOM 821 CE1 TYR A 51 2.553 12.356 3.206 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.272 12.412 2.491 1.00 0.00 C ATOM 823 CZ TYR A 51 1.259 12.798 3.373 1.00 0.00 C ATOM 824 OH TYR A 51 0.949 13.627 4.426 1.00 0.00 O ATOM 0 H TYR A 51 1.661 11.515 -2.397 1.00 0.00 H new ATOM 0 HA TYR A 51 3.935 11.346 -0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.299 9.838 -0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.756 9.331 0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.877 11.180 2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.188 11.276 0.746 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.323 12.660 3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.742 12.760 2.624 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.006 13.847 4.399 1.00 0.00 H new ATOM 834 N GLU A 52 4.861 9.481 -1.881 1.00 0.00 N ATOM 835 CA GLU A 52 5.433 8.454 -2.735 1.00 0.00 C ATOM 836 C GLU A 52 5.094 7.097 -2.146 1.00 0.00 C ATOM 837 O GLU A 52 5.294 6.879 -0.954 1.00 0.00 O ATOM 838 CB GLU A 52 6.950 8.622 -2.843 1.00 0.00 C ATOM 839 CG GLU A 52 7.588 7.729 -3.895 1.00 0.00 C ATOM 840 CD GLU A 52 6.886 7.811 -5.237 1.00 0.00 C ATOM 841 OE1 GLU A 52 7.168 8.760 -5.998 1.00 0.00 O ATOM 842 OE2 GLU A 52 6.051 6.927 -5.525 1.00 0.00 O ATOM 0 H GLU A 52 5.521 9.920 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 52 5.018 8.540 -3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.176 9.662 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.401 8.407 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.634 8.011 -4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.575 6.697 -3.545 1.00 0.00 H new ATOM 849 N GLY A 53 4.557 6.201 -2.967 1.00 0.00 N ATOM 850 CA GLY A 53 4.171 4.894 -2.469 1.00 0.00 C ATOM 851 C GLY A 53 4.955 3.747 -3.071 1.00 0.00 C ATOM 852 O GLY A 53 5.028 3.600 -4.290 1.00 0.00 O ATOM 0 H GLY A 53 4.383 6.354 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.297 4.878 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.111 4.740 -2.669 1.00 0.00 H new ATOM 856 N GLN A 54 5.519 2.920 -2.201 1.00 0.00 N ATOM 857 CA GLN A 54 6.281 1.752 -2.620 1.00 0.00 C ATOM 858 C GLN A 54 5.864 0.543 -1.791 1.00 0.00 C ATOM 859 O GLN A 54 6.085 0.509 -0.580 1.00 0.00 O ATOM 860 CB GLN A 54 7.782 2.004 -2.468 1.00 0.00 C ATOM 861 CG GLN A 54 8.235 3.332 -3.053 1.00 0.00 C ATOM 862 CD GLN A 54 9.724 3.367 -3.337 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.387 4.380 -3.115 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.259 2.256 -3.832 1.00 0.00 N ATOM 0 H GLN A 54 5.462 3.039 -1.190 1.00 0.00 H new ATOM 0 HA GLN A 54 6.073 1.556 -3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.042 1.974 -1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.329 1.196 -2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.688 3.523 -3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.982 4.135 -2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.672 1.439 -4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.256 2.220 -4.043 1.00 0.00 H new ATOM 873 N LEU A 55 5.252 -0.443 -2.436 1.00 0.00 N ATOM 874 CA LEU A 55 4.803 -1.635 -1.730 1.00 0.00 C ATOM 875 C LEU A 55 5.751 -2.804 -1.951 1.00 0.00 C ATOM 876 O LEU A 55 5.763 -3.411 -3.019 1.00 0.00 O ATOM 877 CB LEU A 55 3.393 -2.025 -2.185 1.00 0.00 C ATOM 878 CG LEU A 55 2.293 -1.838 -1.137 1.00 0.00 C ATOM 879 CD1 LEU A 55 0.929 -2.131 -1.738 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.543 -2.727 0.073 1.00 0.00 C ATOM 0 H LEU A 55 5.057 -0.441 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 55 4.790 -1.400 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.137 -1.436 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.405 -3.070 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 55 2.310 -0.799 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.159 -1.993 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.744 -1.451 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.903 -3.160 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.749 -2.577 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.557 -3.771 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.503 -2.470 0.521 1.00 0.00 H new ATOM 892 N ILE A 56 6.523 -3.127 -0.920 1.00 0.00 N ATOM 893 CA ILE A 56 7.461 -4.240 -0.980 1.00 0.00 C ATOM 894 C ILE A 56 6.907 -5.427 -0.202 1.00 0.00 C ATOM 895 O ILE A 56 6.550 -5.296 0.967 1.00 0.00 O ATOM 896 CB ILE A 56 8.842 -3.851 -0.412 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.358 -2.581 -1.086 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.828 -4.979 -0.631 1.00 0.00 C ATOM 899 CD1 ILE A 56 9.188 -1.324 -0.257 1.00 0.00 C ATOM 0 H ILE A 56 6.517 -2.631 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 56 7.589 -4.510 -2.028 1.00 0.00 H new ATOM 0 HB ILE A 56 8.737 -3.665 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.415 -2.710 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.838 -2.450 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.800 -4.696 -0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.472 -5.877 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.922 -5.178 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.580 -0.469 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.130 -1.167 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.732 -1.431 0.682 1.00 0.00 H new ATOM 911 N SER A 57 6.821 -6.584 -0.852 1.00 0.00 N ATOM 912 CA SER A 57 6.287 -7.771 -0.206 1.00 0.00 C ATOM 913 C SER A 57 7.346 -8.462 0.628 1.00 0.00 C ATOM 914 O SER A 57 8.541 -8.395 0.342 1.00 0.00 O ATOM 915 CB SER A 57 5.703 -8.745 -1.223 1.00 0.00 C ATOM 916 OG SER A 57 4.304 -8.585 -1.341 1.00 0.00 O ATOM 0 H SER A 57 7.113 -6.721 -1.820 1.00 0.00 H new ATOM 0 HA SER A 57 5.483 -7.444 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.173 -8.586 -2.194 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.930 -9.768 -0.923 1.00 0.00 H new ATOM 0 HG SER A 57 4.083 -7.630 -1.345 1.00 0.00 H new ATOM 922 N ILE A 58 6.875 -9.107 1.672 1.00 0.00 N ATOM 923 CA ILE A 58 7.736 -9.818 2.605 1.00 0.00 C ATOM 924 C ILE A 58 7.467 -11.318 2.623 1.00 0.00 C ATOM 925 O ILE A 58 6.318 -11.756 2.737 1.00 0.00 O ATOM 926 CB ILE A 58 7.584 -9.259 4.032 1.00 0.00 C ATOM 927 CG1 ILE A 58 7.960 -7.778 4.046 1.00 0.00 C ATOM 928 CG2 ILE A 58 8.447 -10.048 5.009 1.00 0.00 C ATOM 929 CD1 ILE A 58 7.894 -7.142 5.420 1.00 0.00 C ATOM 0 H ILE A 58 5.883 -9.156 1.903 1.00 0.00 H new ATOM 0 HA ILE A 58 8.756 -9.662 2.255 1.00 0.00 H new ATOM 0 HB ILE A 58 6.545 -9.360 4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.970 -7.666 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.294 -7.237 3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.327 -9.639 6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.139 -11.094 5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.493 -9.976 4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.174 -6.091 5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.879 -7.221 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.581 -7.656 6.092 1.00 0.00 H new ATOM 941 N GLN A 59 8.544 -12.093 2.543 1.00 0.00 N ATOM 942 CA GLN A 59 8.463 -13.546 2.579 1.00 0.00 C ATOM 943 C GLN A 59 8.993 -14.073 3.900 1.00 0.00 C ATOM 944 O GLN A 59 9.321 -13.301 4.800 1.00 0.00 O ATOM 945 CB GLN A 59 9.245 -14.182 1.445 1.00 0.00 C ATOM 946 CG GLN A 59 8.610 -15.465 0.933 1.00 0.00 C ATOM 947 CD GLN A 59 7.228 -15.731 1.505 1.00 0.00 C ATOM 948 OE1 GLN A 59 6.257 -15.060 1.150 1.00 0.00 O ATOM 949 NE2 GLN A 59 7.133 -16.715 2.391 1.00 0.00 N ATOM 0 H GLN A 59 9.493 -11.732 2.452 1.00 0.00 H new ATOM 0 HA GLN A 59 7.412 -13.811 2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.327 -13.470 0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.259 -14.395 1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.541 -15.418 -0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.262 -16.305 1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.963 -17.245 2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.230 -16.941 2.807 1.00 0.00 H new ATOM 958 N GLN A 60 9.083 -15.392 4.009 1.00 0.00 N ATOM 959 CA GLN A 60 9.585 -16.010 5.221 1.00 0.00 C ATOM 960 C GLN A 60 11.013 -15.548 5.497 1.00 0.00 C ATOM 961 O GLN A 60 11.426 -15.427 6.651 1.00 0.00 O ATOM 962 CB GLN A 60 9.533 -17.536 5.110 1.00 0.00 C ATOM 963 CG GLN A 60 8.747 -18.199 6.229 1.00 0.00 C ATOM 964 CD GLN A 60 9.506 -18.219 7.540 1.00 0.00 C ATOM 965 OE1 GLN A 60 9.026 -17.720 8.558 1.00 0.00 O ATOM 966 NE2 GLN A 60 10.701 -18.797 7.522 1.00 0.00 N ATOM 0 H GLN A 60 8.816 -16.048 3.275 1.00 0.00 H new ATOM 0 HA GLN A 60 8.950 -15.704 6.052 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.087 -17.808 4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.550 -17.927 5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.803 -17.671 6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.501 -19.221 5.940 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.060 -19.198 6.656 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.260 -18.840 8.374 1.00 0.00 H new ATOM 975 N TYR A 61 11.758 -15.277 4.427 1.00 0.00 N ATOM 976 CA TYR A 61 13.137 -14.812 4.547 1.00 0.00 C ATOM 977 C TYR A 61 13.239 -13.311 4.272 1.00 0.00 C ATOM 978 O TYR A 61 14.309 -12.719 4.416 1.00 0.00 O ATOM 979 CB TYR A 61 14.048 -15.583 3.587 1.00 0.00 C ATOM 980 CG TYR A 61 13.797 -15.274 2.128 1.00 0.00 C ATOM 981 CD1 TYR A 61 12.667 -15.754 1.481 1.00 0.00 C ATOM 982 CD2 TYR A 61 14.693 -14.500 1.398 1.00 0.00 C ATOM 983 CE1 TYR A 61 12.434 -15.473 0.149 1.00 0.00 C ATOM 984 CE2 TYR A 61 14.467 -14.215 0.064 1.00 0.00 C ATOM 985 CZ TYR A 61 13.336 -14.703 -0.555 1.00 0.00 C ATOM 986 OH TYR A 61 13.106 -14.420 -1.882 1.00 0.00 O ATOM 0 H TYR A 61 11.429 -15.372 3.466 1.00 0.00 H new ATOM 0 HA TYR A 61 13.463 -14.996 5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 61 15.087 -15.354 3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.912 -16.652 3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 61 11.958 -16.357 2.028 1.00 0.00 H new ATOM 0 HD2 TYR A 61 15.579 -14.116 1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.549 -15.855 -0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 61 15.173 -13.613 -0.490 1.00 0.00 H new ATOM 0 HH TYR A 61 13.836 -13.866 -2.230 1.00 0.00 H new ATOM 996 N GLY A 62 12.124 -12.699 3.878 1.00 0.00 N ATOM 997 CA GLY A 62 12.121 -11.272 3.594 1.00 0.00 C ATOM 998 C GLY A 62 12.257 -10.965 2.113 1.00 0.00 C ATOM 999 O GLY A 62 12.777 -11.780 1.351 1.00 0.00 O ATOM 0 H GLY A 62 11.225 -13.164 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.195 -10.834 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.939 -10.797 4.135 1.00 0.00 H new ATOM 1003 N HIS A 63 11.787 -9.778 1.711 1.00 0.00 N ATOM 1004 CA HIS A 63 11.848 -9.344 0.313 1.00 0.00 C ATOM 1005 C HIS A 63 10.999 -10.248 -0.575 1.00 0.00 C ATOM 1006 O HIS A 63 11.062 -11.472 -0.462 1.00 0.00 O ATOM 1007 CB HIS A 63 13.296 -9.332 -0.182 1.00 0.00 C ATOM 1008 CG HIS A 63 13.573 -8.265 -1.195 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.892 -6.984 -0.817 1.00 0.00 N ATOM 1010 CD2 HIS A 63 13.567 -8.340 -2.549 1.00 0.00 C ATOM 1011 CE1 HIS A 63 14.072 -6.310 -1.939 1.00 0.00 C ATOM 1012 NE2 HIS A 63 13.886 -7.091 -3.014 1.00 0.00 N ATOM 0 H HIS A 63 11.358 -9.099 2.339 1.00 0.00 H new ATOM 0 HA HIS A 63 11.448 -8.332 0.257 1.00 0.00 H new ATOM 0 HB2 HIS A 63 13.962 -9.194 0.670 1.00 0.00 H new ATOM 0 HB3 HIS A 63 13.531 -10.304 -0.616 1.00 0.00 H new ATOM 0 HD2 HIS A 63 13.352 -9.215 -3.145 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.335 -5.264 -1.985 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.967 -6.809 -3.991 1.00 0.00 H new ATOM 1020 N GLN A 64 10.200 -9.649 -1.458 1.00 0.00 N ATOM 1021 CA GLN A 64 9.349 -10.438 -2.340 1.00 0.00 C ATOM 1022 C GLN A 64 8.861 -9.661 -3.560 1.00 0.00 C ATOM 1023 O GLN A 64 9.227 -9.979 -4.692 1.00 0.00 O ATOM 1024 CB GLN A 64 8.141 -10.968 -1.571 1.00 0.00 C ATOM 1025 CG GLN A 64 8.285 -12.415 -1.138 1.00 0.00 C ATOM 1026 CD GLN A 64 8.948 -13.284 -2.190 1.00 0.00 C ATOM 1027 OE1 GLN A 64 8.496 -13.351 -3.333 1.00 0.00 O ATOM 1028 NE2 GLN A 64 10.028 -13.957 -1.807 1.00 0.00 N ATOM 0 H GLN A 64 10.126 -8.639 -1.579 1.00 0.00 H new ATOM 0 HA GLN A 64 9.966 -11.261 -2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.981 -10.348 -0.689 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.252 -10.871 -2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.869 -12.457 -0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.299 -12.820 -0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.369 -13.872 -0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.516 -14.558 -2.471 1.00 0.00 H new ATOM 1037 N GLU A 65 7.989 -8.680 -3.334 1.00 0.00 N ATOM 1038 CA GLU A 65 7.411 -7.913 -4.435 1.00 0.00 C ATOM 1039 C GLU A 65 7.346 -6.415 -4.144 1.00 0.00 C ATOM 1040 O GLU A 65 6.607 -5.981 -3.267 1.00 0.00 O ATOM 1041 CB GLU A 65 5.999 -8.435 -4.683 1.00 0.00 C ATOM 1042 CG GLU A 65 5.603 -8.460 -6.150 1.00 0.00 C ATOM 1043 CD GLU A 65 4.815 -9.701 -6.524 1.00 0.00 C ATOM 1044 OE1 GLU A 65 5.072 -10.770 -5.931 1.00 0.00 O ATOM 1045 OE2 GLU A 65 3.941 -9.603 -7.410 1.00 0.00 O ATOM 0 H GLU A 65 7.670 -8.399 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 65 8.051 -8.040 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.918 -9.443 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.291 -7.813 -4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.008 -7.575 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.501 -8.406 -6.765 1.00 0.00 H new ATOM 1052 N VAL A 66 8.086 -5.616 -4.908 1.00 0.00 N ATOM 1053 CA VAL A 66 8.060 -4.171 -4.712 1.00 0.00 C ATOM 1054 C VAL A 66 7.670 -3.430 -5.987 1.00 0.00 C ATOM 1055 O VAL A 66 8.232 -3.659 -7.058 1.00 0.00 O ATOM 1056 CB VAL A 66 9.405 -3.625 -4.174 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.584 -4.450 -4.655 1.00 0.00 C ATOM 1058 CG2 VAL A 66 9.589 -2.156 -4.541 1.00 0.00 C ATOM 0 H VAL A 66 8.701 -5.938 -5.656 1.00 0.00 H new ATOM 0 HA VAL A 66 7.295 -3.986 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 66 9.370 -3.705 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.508 -4.032 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.472 -5.479 -4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.620 -4.432 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.542 -1.800 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.579 -2.048 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.778 -1.569 -4.110 1.00 0.00 H new ATOM 1068 N THR A 67 6.698 -2.531 -5.845 1.00 0.00 N ATOM 1069 CA THR A 67 6.206 -1.729 -6.958 1.00 0.00 C ATOM 1070 C THR A 67 6.188 -0.250 -6.580 1.00 0.00 C ATOM 1071 O THR A 67 5.867 0.102 -5.445 1.00 0.00 O ATOM 1072 CB THR A 67 4.788 -2.162 -7.377 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.643 -3.579 -7.219 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.507 -1.779 -8.822 1.00 0.00 C ATOM 0 H THR A 67 6.232 -2.340 -4.958 1.00 0.00 H new ATOM 0 HA THR A 67 6.882 -1.885 -7.799 1.00 0.00 H new ATOM 0 HB THR A 67 4.072 -1.647 -6.736 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.739 -3.847 -7.485 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.500 -2.096 -9.093 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.590 -0.698 -8.935 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.229 -2.268 -9.475 1.00 0.00 H new ATOM 1082 N ARG A 68 6.546 0.613 -7.527 1.00 0.00 N ATOM 1083 CA ARG A 68 6.577 2.049 -7.268 1.00 0.00 C ATOM 1084 C ARG A 68 5.392 2.761 -7.913 1.00 0.00 C ATOM 1085 O ARG A 68 5.075 2.535 -9.082 1.00 0.00 O ATOM 1086 CB ARG A 68 7.885 2.654 -7.779 1.00 0.00 C ATOM 1087 CG ARG A 68 9.121 1.902 -7.315 1.00 0.00 C ATOM 1088 CD ARG A 68 10.263 2.850 -6.988 1.00 0.00 C ATOM 1089 NE ARG A 68 10.395 3.918 -7.978 1.00 0.00 N ATOM 1090 CZ ARG A 68 11.356 3.957 -8.896 1.00 0.00 C ATOM 1091 NH1 ARG A 68 12.265 2.992 -8.956 1.00 0.00 N ATOM 1092 NH2 ARG A 68 11.410 4.965 -9.757 1.00 0.00 N ATOM 0 H ARG A 68 6.817 0.346 -8.473 1.00 0.00 H new ATOM 0 HA ARG A 68 6.511 2.189 -6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.867 2.671 -8.869 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.952 3.689 -7.445 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.877 1.308 -6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.437 1.205 -8.092 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.099 3.288 -6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.196 2.288 -6.936 1.00 0.00 H new ATOM 0 HE ARG A 68 9.712 4.675 -7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.229 2.215 -8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.000 3.027 -9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.714 5.710 -9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.147 4.995 -10.461 1.00 0.00 H new ATOM 1106 N PHE A 69 4.749 3.629 -7.140 1.00 0.00 N ATOM 1107 CA PHE A 69 3.603 4.393 -7.620 1.00 0.00 C ATOM 1108 C PHE A 69 3.427 5.675 -6.817 1.00 0.00 C ATOM 1109 O PHE A 69 3.519 5.670 -5.590 1.00 0.00 O ATOM 1110 CB PHE A 69 2.320 3.556 -7.560 1.00 0.00 C ATOM 1111 CG PHE A 69 2.288 2.549 -6.444 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.261 2.956 -5.119 1.00 0.00 C ATOM 1113 CD2 PHE A 69 2.278 1.192 -6.723 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.224 2.029 -4.096 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.243 0.260 -5.703 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.216 0.681 -4.388 1.00 0.00 C ATOM 0 H PHE A 69 5.004 3.822 -6.171 1.00 0.00 H new ATOM 0 HA PHE A 69 3.797 4.658 -8.660 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.468 4.227 -7.453 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.197 3.033 -8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.269 4.010 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.298 0.858 -7.750 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.201 2.359 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.237 -0.795 -5.934 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.189 -0.045 -3.589 1.00 0.00 H new ATOM 1126 N ASP A 70 3.159 6.772 -7.517 1.00 0.00 N ATOM 1127 CA ASP A 70 2.954 8.059 -6.867 1.00 0.00 C ATOM 1128 C ASP A 70 1.470 8.288 -6.650 1.00 0.00 C ATOM 1129 O ASP A 70 0.649 7.912 -7.488 1.00 0.00 O ATOM 1130 CB ASP A 70 3.539 9.198 -7.707 1.00 0.00 C ATOM 1131 CG ASP A 70 2.845 9.344 -9.048 1.00 0.00 C ATOM 1132 OD1 ASP A 70 1.835 10.075 -9.117 1.00 0.00 O ATOM 1133 OD2 ASP A 70 3.314 8.732 -10.031 1.00 0.00 O ATOM 0 H ASP A 70 3.079 6.795 -8.534 1.00 0.00 H new ATOM 0 HA ASP A 70 3.468 8.047 -5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.455 10.134 -7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.602 9.018 -7.869 1.00 0.00 H new ATOM 1138 N PHE A 71 1.120 8.894 -5.525 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.275 9.145 -5.225 1.00 0.00 C ATOM 1140 C PHE A 71 -0.446 10.412 -4.396 1.00 0.00 C ATOM 1141 O PHE A 71 0.501 10.906 -3.785 1.00 0.00 O ATOM 1142 CB PHE A 71 -0.889 7.932 -4.519 1.00 0.00 C ATOM 1143 CG PHE A 71 -0.443 7.747 -3.094 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.710 7.037 -2.804 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -1.184 8.271 -2.046 1.00 0.00 C ATOM 1146 CE1 PHE A 71 1.119 6.855 -1.496 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -0.781 8.091 -0.735 1.00 0.00 C ATOM 1148 CZ PHE A 71 0.373 7.382 -0.461 1.00 0.00 C ATOM 0 H PHE A 71 1.777 9.216 -4.814 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.805 9.302 -6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.975 8.028 -4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.639 7.034 -5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.297 6.620 -3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.086 8.826 -2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.021 6.301 -1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.367 8.504 0.073 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.691 7.240 0.561 1.00 0.00 H new ATOM 1158 N THR A 72 -1.665 10.931 -4.399 1.00 0.00 N ATOM 1159 CA THR A 72 -2.002 12.142 -3.676 1.00 0.00 C ATOM 1160 C THR A 72 -3.338 11.996 -2.979 1.00 0.00 C ATOM 1161 O THR A 72 -4.071 11.032 -3.198 1.00 0.00 O ATOM 1162 CB THR A 72 -2.074 13.372 -4.597 1.00 0.00 C ATOM 1163 OG1 THR A 72 -1.481 13.075 -5.865 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.372 14.559 -3.965 1.00 0.00 C ATOM 0 H THR A 72 -2.449 10.520 -4.906 1.00 0.00 H new ATOM 0 HA THR A 72 -1.205 12.293 -2.948 1.00 0.00 H new ATOM 0 HB THR A 72 -3.123 13.627 -4.744 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.513 12.968 -5.756 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.435 15.417 -4.634 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.851 14.802 -3.016 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.325 14.312 -3.790 1.00 0.00 H new ATOM 1172 N THR A 73 -3.633 12.966 -2.138 1.00 0.00 N ATOM 1173 CA THR A 73 -4.870 13.003 -1.379 1.00 0.00 C ATOM 1174 C THR A 73 -6.104 12.992 -2.289 1.00 0.00 C ATOM 1175 O THR A 73 -6.148 12.280 -3.291 1.00 0.00 O ATOM 1176 CB THR A 73 -4.890 14.267 -0.517 1.00 0.00 C ATOM 1177 OG1 THR A 73 -5.224 15.393 -1.331 1.00 0.00 O ATOM 1178 CG2 THR A 73 -3.530 14.492 0.125 1.00 0.00 C ATOM 0 H THR A 73 -3.017 13.759 -1.959 1.00 0.00 H new ATOM 0 HA THR A 73 -4.909 12.109 -0.756 1.00 0.00 H new ATOM 0 HB THR A 73 -5.635 14.146 0.269 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.413 15.739 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.560 15.395 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.279 13.638 0.754 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.775 14.605 -0.653 1.00 0.00 H new ATOM 1186 N THR A 74 -7.108 13.792 -1.933 1.00 0.00 N ATOM 1187 CA THR A 74 -8.335 13.879 -2.713 1.00 0.00 C ATOM 1188 C THR A 74 -8.106 14.631 -4.024 1.00 0.00 C ATOM 1189 O THR A 74 -9.056 14.997 -4.715 1.00 0.00 O ATOM 1190 CB THR A 74 -9.451 14.584 -1.917 1.00 0.00 C ATOM 1191 OG1 THR A 74 -9.261 16.004 -1.956 1.00 0.00 O ATOM 1192 CG2 THR A 74 -9.472 14.110 -0.469 1.00 0.00 C ATOM 0 H THR A 74 -7.093 14.390 -1.107 1.00 0.00 H new ATOM 0 HA THR A 74 -8.643 12.857 -2.936 1.00 0.00 H new ATOM 0 HB THR A 74 -10.406 14.332 -2.378 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.975 16.444 -1.449 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.268 14.623 0.070 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.649 13.035 -0.441 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.514 14.333 0.001 1.00 0.00 H new ATOM 1200 N SER A 75 -6.836 14.857 -4.357 1.00 0.00 N ATOM 1201 CA SER A 75 -6.473 15.563 -5.579 1.00 0.00 C ATOM 1202 C SER A 75 -6.201 14.581 -6.717 1.00 0.00 C ATOM 1203 O SER A 75 -6.506 14.863 -7.877 1.00 0.00 O ATOM 1204 CB SER A 75 -5.242 16.436 -5.333 1.00 0.00 C ATOM 1205 OG SER A 75 -5.047 17.357 -6.393 1.00 0.00 O ATOM 0 H SER A 75 -6.040 14.559 -3.793 1.00 0.00 H new ATOM 0 HA SER A 75 -7.310 16.198 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.358 16.977 -4.394 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.360 15.804 -5.229 1.00 0.00 H new ATOM 0 HG SER A 75 -4.255 17.904 -6.210 1.00 0.00 H new ATOM 1211 N THR A 76 -5.628 13.429 -6.369 1.00 0.00 N ATOM 1212 CA THR A 76 -5.311 12.388 -7.347 1.00 0.00 C ATOM 1213 C THR A 76 -4.198 12.823 -8.298 1.00 0.00 C ATOM 1214 O THR A 76 -4.135 13.981 -8.712 1.00 0.00 O ATOM 1215 CB THR A 76 -6.550 11.988 -8.172 1.00 0.00 C ATOM 1216 OG1 THR A 76 -7.729 12.081 -7.362 1.00 0.00 O ATOM 1217 CG2 THR A 76 -6.409 10.570 -8.708 1.00 0.00 C ATOM 0 H THR A 76 -5.372 13.192 -5.410 1.00 0.00 H new ATOM 0 HA THR A 76 -4.970 11.526 -6.774 1.00 0.00 H new ATOM 0 HB THR A 76 -6.633 12.673 -9.016 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.512 11.827 -7.894 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.295 10.310 -9.287 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.528 10.508 -9.346 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.303 9.875 -7.875 1.00 0.00 H new ATOM 1225 N SER A 77 -3.323 11.881 -8.643 1.00 0.00 N ATOM 1226 CA SER A 77 -2.210 12.154 -9.547 1.00 0.00 C ATOM 1227 C SER A 77 -1.843 10.906 -10.345 1.00 0.00 C ATOM 1228 O SER A 77 -0.741 10.803 -10.883 1.00 0.00 O ATOM 1229 CB SER A 77 -0.990 12.638 -8.762 1.00 0.00 C ATOM 1230 OG SER A 77 -0.520 11.633 -7.880 1.00 0.00 O ATOM 0 H SER A 77 -3.364 10.918 -8.308 1.00 0.00 H new ATOM 0 HA SER A 77 -2.523 12.936 -10.239 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.196 12.919 -9.454 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.250 13.532 -8.195 1.00 0.00 H new ATOM 0 HG SER A 77 -0.933 11.751 -6.999 1.00 0.00 H new ATOM 1236 N THR A 78 -2.774 9.961 -10.415 1.00 0.00 N ATOM 1237 CA THR A 78 -2.551 8.720 -11.143 1.00 0.00 C ATOM 1238 C THR A 78 -3.385 8.678 -12.421 1.00 0.00 C ATOM 1239 O THR A 78 -4.612 8.615 -12.365 1.00 0.00 O ATOM 1240 CB THR A 78 -2.898 7.495 -10.277 1.00 0.00 C ATOM 1241 OG1 THR A 78 -4.274 7.547 -9.883 1.00 0.00 O ATOM 1242 CG2 THR A 78 -2.014 7.442 -9.040 1.00 0.00 C ATOM 0 H THR A 78 -3.692 10.032 -9.975 1.00 0.00 H new ATOM 0 HA THR A 78 -1.492 8.686 -11.401 1.00 0.00 H new ATOM 0 HB THR A 78 -2.724 6.597 -10.870 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.806 7.944 -10.604 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.276 6.569 -8.443 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.969 7.374 -9.342 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.163 8.345 -8.448 1.00 0.00 H new ATOM 1250 N PRO A 79 -2.730 8.721 -13.594 1.00 0.00 N ATOM 1251 CA PRO A 79 -3.424 8.696 -14.882 1.00 0.00 C ATOM 1252 C PRO A 79 -3.843 7.288 -15.293 1.00 0.00 C ATOM 1253 O PRO A 79 -4.557 7.107 -16.279 1.00 0.00 O ATOM 1254 CB PRO A 79 -2.374 9.248 -15.840 1.00 0.00 C ATOM 1255 CG PRO A 79 -1.076 8.807 -15.258 1.00 0.00 C ATOM 1256 CD PRO A 79 -1.264 8.807 -13.762 1.00 0.00 C ATOM 0 HA PRO A 79 -4.353 9.265 -14.864 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.511 8.857 -16.848 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.430 10.334 -15.909 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -0.806 7.814 -15.616 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.270 9.481 -15.549 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.757 7.963 -13.295 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.861 9.712 -13.308 1.00 0.00 H new ATOM 1264 N GLY A 80 -3.396 6.293 -14.531 1.00 0.00 N ATOM 1265 CA GLY A 80 -3.741 4.916 -14.834 1.00 0.00 C ATOM 1266 C GLY A 80 -2.617 3.949 -14.517 1.00 0.00 C ATOM 1267 O GLY A 80 -1.748 3.703 -15.353 1.00 0.00 O ATOM 0 H GLY A 80 -2.802 6.416 -13.711 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.628 4.634 -14.267 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.999 4.834 -15.890 1.00 0.00 H new ATOM 1271 N SER A 81 -2.639 3.401 -13.305 1.00 0.00 N ATOM 1272 CA SER A 81 -1.620 2.452 -12.868 1.00 0.00 C ATOM 1273 C SER A 81 -0.220 3.047 -13.002 1.00 0.00 C ATOM 1274 O SER A 81 0.228 3.797 -12.135 1.00 0.00 O ATOM 1275 CB SER A 81 -1.723 1.151 -13.668 1.00 0.00 C ATOM 1276 OG SER A 81 -0.945 0.125 -13.077 1.00 0.00 O ATOM 0 H SER A 81 -3.355 3.599 -12.606 1.00 0.00 H new ATOM 0 HA SER A 81 -1.795 2.232 -11.815 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.765 0.836 -13.723 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.388 1.322 -14.691 1.00 0.00 H new ATOM 0 HG SER A 81 -1.029 -0.696 -13.606 1.00 0.00 H new ATOM 1282 N ARG A 82 0.469 2.708 -14.091 1.00 0.00 N ATOM 1283 CA ARG A 82 1.818 3.209 -14.333 1.00 0.00 C ATOM 1284 C ARG A 82 2.281 2.864 -15.747 1.00 0.00 C ATOM 1285 O ARG A 82 2.119 3.658 -16.673 1.00 0.00 O ATOM 1286 CB ARG A 82 2.792 2.628 -13.305 1.00 0.00 C ATOM 1287 CG ARG A 82 3.967 3.538 -12.993 1.00 0.00 C ATOM 1288 CD ARG A 82 5.051 2.802 -12.224 1.00 0.00 C ATOM 1289 NE ARG A 82 6.057 2.226 -13.111 1.00 0.00 N ATOM 1290 CZ ARG A 82 6.252 0.918 -13.257 1.00 0.00 C ATOM 1291 NH1 ARG A 82 5.514 0.053 -12.574 1.00 0.00 N ATOM 1292 NH2 ARG A 82 7.185 0.473 -14.088 1.00 0.00 N ATOM 0 H ARG A 82 0.114 2.088 -14.819 1.00 0.00 H new ATOM 0 HA ARG A 82 1.801 4.294 -14.232 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.251 2.420 -12.382 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.170 1.675 -13.675 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.381 3.931 -13.922 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.622 4.393 -12.411 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.532 3.490 -11.528 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.598 2.010 -11.627 1.00 0.00 H new ATOM 0 HE ARG A 82 6.644 2.863 -13.650 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.794 0.390 -11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.666 -0.949 -12.688 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.755 1.134 -14.616 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.333 -0.530 -14.199 1.00 0.00 H new ATOM 1306 N SER A 83 2.858 1.674 -15.905 1.00 0.00 N ATOM 1307 CA SER A 83 3.344 1.226 -17.205 1.00 0.00 C ATOM 1308 C SER A 83 3.113 -0.273 -17.387 1.00 0.00 C ATOM 1309 O SER A 83 2.239 -0.857 -16.745 1.00 0.00 O ATOM 1310 CB SER A 83 4.832 1.552 -17.353 1.00 0.00 C ATOM 1311 OG SER A 83 5.203 2.639 -16.523 1.00 0.00 O ATOM 0 H SER A 83 2.999 1.005 -15.149 1.00 0.00 H new ATOM 0 HA SER A 83 2.786 1.754 -17.978 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.426 0.675 -17.096 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.053 1.793 -18.393 1.00 0.00 H new ATOM 0 HG SER A 83 6.158 2.825 -16.636 1.00 0.00 H new ATOM 1317 N HIS A 84 3.900 -0.889 -18.266 1.00 0.00 N ATOM 1318 CA HIS A 84 3.780 -2.319 -18.536 1.00 0.00 C ATOM 1319 C HIS A 84 4.159 -3.148 -17.312 1.00 0.00 C ATOM 1320 O HIS A 84 4.415 -2.608 -16.236 1.00 0.00 O ATOM 1321 CB HIS A 84 4.665 -2.706 -19.721 1.00 0.00 C ATOM 1322 CG HIS A 84 3.944 -2.706 -21.032 1.00 0.00 C ATOM 1323 ND1 HIS A 84 4.127 -3.711 -21.950 1.00 0.00 N ATOM 1324 CD2 HIS A 84 3.057 -1.809 -21.529 1.00 0.00 C ATOM 1325 CE1 HIS A 84 3.354 -3.409 -22.977 1.00 0.00 C ATOM 1326 NE2 HIS A 84 2.686 -2.264 -22.768 1.00 0.00 N ATOM 0 H HIS A 84 4.628 -0.419 -18.804 1.00 0.00 H new ATOM 0 HA HIS A 84 2.738 -2.529 -18.779 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.505 -2.014 -19.778 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.081 -3.698 -19.545 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.710 -0.909 -21.043 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.270 -4.008 -23.872 1.00 0.00 H new ATOM 0 HE2 HIS A 84 2.029 -1.818 -23.408 1.00 0.00 H new ATOM 1334 N HIS A 85 4.191 -4.466 -17.488 1.00 0.00 N ATOM 1335 CA HIS A 85 4.536 -5.378 -16.403 1.00 0.00 C ATOM 1336 C HIS A 85 5.433 -6.507 -16.906 1.00 0.00 C ATOM 1337 O HIS A 85 5.617 -7.515 -16.224 1.00 0.00 O ATOM 1338 CB HIS A 85 3.265 -5.959 -15.779 1.00 0.00 C ATOM 1339 CG HIS A 85 3.370 -6.208 -14.304 1.00 0.00 C ATOM 1340 ND1 HIS A 85 2.454 -6.992 -13.645 1.00 0.00 N ATOM 1341 CD2 HIS A 85 4.288 -5.756 -13.413 1.00 0.00 C ATOM 1342 CE1 HIS A 85 2.830 -7.003 -12.379 1.00 0.00 C ATOM 1343 NE2 HIS A 85 3.935 -6.267 -12.188 1.00 0.00 N ATOM 0 H HIS A 85 3.982 -4.927 -18.374 1.00 0.00 H new ATOM 0 HA HIS A 85 5.082 -4.816 -15.645 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.436 -5.275 -15.964 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.022 -6.897 -16.279 1.00 0.00 H new ATOM 0 HD2 HIS A 85 5.133 -5.118 -13.626 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.313 -7.537 -11.596 1.00 0.00 H new ATOM 0 HE2 HIS A 85 4.420 -6.116 -11.303 1.00 0.00 H new ATOM 1351 N HIS A 86 5.989 -6.327 -18.103 1.00 0.00 N ATOM 1352 CA HIS A 86 6.868 -7.327 -18.703 1.00 0.00 C ATOM 1353 C HIS A 86 6.172 -8.682 -18.804 1.00 0.00 C ATOM 1354 O HIS A 86 6.372 -9.559 -17.964 1.00 0.00 O ATOM 1355 CB HIS A 86 8.157 -7.461 -17.889 1.00 0.00 C ATOM 1356 CG HIS A 86 9.304 -8.020 -18.671 1.00 0.00 C ATOM 1357 ND1 HIS A 86 9.571 -7.597 -19.950 1.00 0.00 N ATOM 1358 CD2 HIS A 86 10.214 -8.960 -18.316 1.00 0.00 C ATOM 1359 CE1 HIS A 86 10.629 -8.282 -20.344 1.00 0.00 C ATOM 1360 NE2 HIS A 86 11.055 -9.121 -19.388 1.00 0.00 N ATOM 0 H HIS A 86 5.845 -5.496 -18.677 1.00 0.00 H new ATOM 0 HA HIS A 86 7.116 -6.993 -19.711 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.436 -6.481 -17.501 1.00 0.00 H new ATOM 0 HB3 HIS A 86 7.968 -8.102 -17.028 1.00 0.00 H new ATOM 0 HD2 HIS A 86 10.267 -9.481 -17.372 1.00 0.00 H new ATOM 0 HE1 HIS A 86 11.093 -8.180 -21.314 1.00 0.00 H new ATOM 0 HE2 HIS A 86 11.851 -9.756 -19.447 1.00 0.00 H new ATOM 1368 N HIS A 87 5.354 -8.843 -19.839 1.00 0.00 N ATOM 1369 CA HIS A 87 4.627 -10.091 -20.051 1.00 0.00 C ATOM 1370 C HIS A 87 5.587 -11.231 -20.377 1.00 0.00 C ATOM 1371 O HIS A 87 6.334 -11.166 -21.353 1.00 0.00 O ATOM 1372 CB HIS A 87 3.610 -9.927 -21.182 1.00 0.00 C ATOM 1373 CG HIS A 87 2.847 -8.640 -21.115 1.00 0.00 C ATOM 1374 ND1 HIS A 87 2.374 -8.149 -19.923 1.00 0.00 N ATOM 1375 CD2 HIS A 87 2.506 -7.788 -22.112 1.00 0.00 C ATOM 1376 CE1 HIS A 87 1.760 -7.016 -20.216 1.00 0.00 C ATOM 1377 NE2 HIS A 87 1.814 -6.757 -21.532 1.00 0.00 N ATOM 0 H HIS A 87 5.178 -8.127 -20.543 1.00 0.00 H new ATOM 0 HA HIS A 87 4.099 -10.336 -19.129 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.130 -9.983 -22.139 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.907 -10.759 -21.152 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.735 -7.900 -23.161 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.277 -6.380 -19.489 1.00 0.00 H new ATOM 0 HE2 HIS A 87 1.416 -5.948 -22.009 1.00 0.00 H new ATOM 1385 N HIS A 88 5.558 -12.273 -19.553 1.00 0.00 N ATOM 1386 CA HIS A 88 6.424 -13.429 -19.751 1.00 0.00 C ATOM 1387 C HIS A 88 5.618 -14.639 -20.214 1.00 0.00 C ATOM 1388 O HIS A 88 5.968 -15.292 -21.196 1.00 0.00 O ATOM 1389 CB HIS A 88 7.170 -13.759 -18.458 1.00 0.00 C ATOM 1390 CG HIS A 88 8.285 -14.738 -18.647 1.00 0.00 C ATOM 1391 ND1 HIS A 88 9.577 -14.320 -18.857 1.00 0.00 N ATOM 1392 CD2 HIS A 88 8.251 -16.092 -18.652 1.00 0.00 C ATOM 1393 CE1 HIS A 88 10.297 -15.420 -18.984 1.00 0.00 C ATOM 1394 NE2 HIS A 88 9.537 -16.518 -18.868 1.00 0.00 N ATOM 0 H HIS A 88 4.944 -12.340 -18.741 1.00 0.00 H new ATOM 0 HA HIS A 88 7.149 -13.182 -20.526 1.00 0.00 H new ATOM 0 HB2 HIS A 88 7.573 -12.839 -18.035 1.00 0.00 H new ATOM 0 HB3 HIS A 88 6.463 -14.161 -17.732 1.00 0.00 H new ATOM 0 HD2 HIS A 88 7.380 -16.715 -18.513 1.00 0.00 H new ATOM 0 HE1 HIS A 88 11.363 -15.433 -19.159 1.00 0.00 H new ATOM 0 HE2 HIS A 88 9.854 -17.486 -18.929 1.00 0.00 H new ATOM 1402 N HIS A 89 4.535 -14.931 -19.500 1.00 0.00 N ATOM 1403 CA HIS A 89 3.678 -16.061 -19.838 1.00 0.00 C ATOM 1404 C HIS A 89 2.654 -15.666 -20.898 1.00 0.00 C ATOM 1405 O HIS A 89 2.009 -14.609 -20.731 1.00 0.00 O ATOM 1406 CB HIS A 89 2.964 -16.580 -18.588 1.00 0.00 C ATOM 1407 CG HIS A 89 2.853 -18.073 -18.536 1.00 0.00 C ATOM 1408 ND1 HIS A 89 3.642 -18.877 -19.322 1.00 0.00 N ATOM 1409 CD2 HIS A 89 2.037 -18.851 -17.784 1.00 0.00 C ATOM 1410 CE1 HIS A 89 3.294 -20.118 -19.034 1.00 0.00 C ATOM 1411 NE2 HIS A 89 2.325 -20.153 -18.108 1.00 0.00 N ATOM 1412 OXT HIS A 89 2.509 -16.415 -21.887 1.00 0.00 O ATOM 0 H HIS A 89 4.231 -14.400 -18.684 1.00 0.00 H new ATOM 0 HA HIS A 89 4.306 -16.855 -20.242 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.499 -16.233 -17.704 1.00 0.00 H new ATOM 0 HB3 HIS A 89 1.964 -16.148 -18.545 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.302 -18.512 -17.068 1.00 0.00 H new ATOM 0 HE1 HIS A 89 3.734 -20.994 -19.487 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.886 -20.987 -17.719 1.00 0.00 H new TER 1420 HIS A 89