USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 972 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 116 SER OG : rot 180:sc= -0.229 USER MOD Set 1.2: A 117 SER OG : rot 60:sc= 0.00233 USER MOD Set 2.1: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 39 GLN : amide:sc= 0.258 X(o=0.52,f=0.11) USER MOD Set 3.2: A 95 TYR OH : rot 41:sc= 0.266 USER MOD Set 4.1: A 57 SER OG : rot -124:sc= 0.894 USER MOD Set 4.2: A 59 TYR OH : rot 180:sc= 0.258 USER MOD Single : A 1 ASP N :NH3+ -171:sc= 0 (180deg=-0.0955) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.0114 F(o=-0.62,f=-0.011) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.218 USER MOD Single : A 13 GLN :FLIP amide:sc= 0.00266 F(o=-1.9!,f=0.0027) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -49:sc= 0.808 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.0043 X(o=-0.0043,f=-0.29) USER MOD Single : A 34 MET CE :methyl -95:sc= -5.34! (180deg=-6.62!) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.125) USER MOD Single : A 49 SER OG : rot -88:sc= 0.00206! USER MOD Single : A 50 THR OG1 : rot 98:sc= 0.345 USER MOD Single : A 52 ASN : amide:sc= -5.67! C(o=-5.7!,f=-11!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 60 TYR OH : rot 110:sc= 0.283 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.352 (180deg=-1.05) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.52) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -4.83! C(o=-4.8!,f=-6.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.435 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0.0514 X(o=0.051,f=0) USER MOD Single : A 83 MET CE :methyl -176:sc= -1.66 (180deg=-1.72) USER MOD Single : A 84 ASN : amide:sc= -0.951 K(o=-0.95,f=-5.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -146:sc= -0.0283 (180deg=-0.947) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 94 TYR OH : rot 168:sc= 0.414 USER MOD Single : A 99 TYR OH : rot -107:sc= 0.878 USER MOD Single : A 109 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.078) USER MOD Single : A 111 THR OG1 : rot -150:sc= -1.14 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.082) USER MOD Single : A 122 LYS NZ :NH3+ -168:sc= -0.02 (180deg=-0.199) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 131 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.035) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -10.776 -10.507 7.951 1.00 0.00 N ATOM 2 CA ASP A 1 -11.431 -10.632 6.624 1.00 0.00 C ATOM 3 C ASP A 1 -10.412 -10.510 5.496 1.00 0.00 C ATOM 4 O ASP A 1 -10.491 -11.224 4.496 1.00 0.00 O ATOM 5 CB ASP A 1 -12.492 -9.536 6.497 1.00 0.00 C ATOM 6 CG ASP A 1 -13.865 -10.091 6.165 1.00 0.00 C ATOM 7 OD1 ASP A 1 -14.046 -11.325 6.252 1.00 0.00 O ATOM 8 OD2 ASP A 1 -14.761 -9.292 5.820 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.459 -10.744 8.699 1.00 0.00 H new ATOM 0 H2 ASP A 1 -9.967 -11.159 8.002 1.00 0.00 H new ATOM 0 H3 ASP A 1 -10.443 -9.531 8.083 1.00 0.00 H new ATOM 0 HA ASP A 1 -11.896 -11.615 6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -12.546 -8.977 7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -12.191 -8.832 5.721 1.00 0.00 H new ATOM 15 N VAL A 2 -9.456 -9.603 5.667 1.00 0.00 N ATOM 16 CA VAL A 2 -8.419 -9.389 4.665 1.00 0.00 C ATOM 17 C VAL A 2 -7.028 -9.504 5.282 1.00 0.00 C ATOM 18 O VAL A 2 -6.669 -8.736 6.176 1.00 0.00 O ATOM 19 CB VAL A 2 -8.551 -8.009 3.987 1.00 0.00 C ATOM 20 CG1 VAL A 2 -8.166 -8.099 2.518 1.00 0.00 C ATOM 21 CG2 VAL A 2 -9.962 -7.459 4.141 1.00 0.00 C ATOM 0 H VAL A 2 -9.378 -9.005 6.490 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.551 -10.165 3.911 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.866 -7.320 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.265 -7.117 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.134 -8.438 2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.823 -8.806 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.028 -6.486 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.672 -8.145 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.197 -7.352 5.200 1.00 0.00 H new ATOM 31 N GLN A 3 -6.250 -10.465 4.796 1.00 0.00 N ATOM 32 CA GLN A 3 -4.896 -10.681 5.294 1.00 0.00 C ATOM 33 C GLN A 3 -3.885 -10.562 4.160 1.00 0.00 C ATOM 34 O GLN A 3 -4.109 -11.075 3.063 1.00 0.00 O ATOM 35 CB GLN A 3 -4.781 -12.054 5.956 1.00 0.00 C ATOM 36 CG GLN A 3 -4.257 -11.996 7.382 1.00 0.00 C ATOM 37 CD GLN A 3 -2.833 -12.502 7.502 1.00 0.00 C ATOM 38 OE1 GLN A 3 -1.888 -11.741 6.962 1.00 0.00 O flip ATOM 39 NE2 GLN A 3 -2.585 -13.563 8.073 1.00 0.00 N flip ATOM 0 H GLN A 3 -6.534 -11.108 4.057 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.680 -9.914 6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.761 -12.532 5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.120 -12.682 5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.305 -10.968 7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.905 -12.589 8.027 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.343 -14.116 8.474 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.622 -13.890 8.146 1.00 0.00 H new ATOM 48 N LEU A 4 -2.778 -9.874 4.422 1.00 0.00 N ATOM 49 CA LEU A 4 -1.748 -9.682 3.407 1.00 0.00 C ATOM 50 C LEU A 4 -0.478 -10.464 3.730 1.00 0.00 C ATOM 51 O LEU A 4 -0.288 -10.934 4.851 1.00 0.00 O ATOM 52 CB LEU A 4 -1.419 -8.198 3.266 1.00 0.00 C ATOM 53 CG LEU A 4 -2.589 -7.247 3.518 1.00 0.00 C ATOM 54 CD1 LEU A 4 -2.214 -6.197 4.541 1.00 0.00 C ATOM 55 CD2 LEU A 4 -3.009 -6.579 2.227 1.00 0.00 C ATOM 0 H LEU A 4 -2.572 -9.442 5.323 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.143 -10.061 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.616 -7.952 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.037 -8.020 2.261 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.424 -7.830 3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.061 -5.531 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.947 -6.683 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.364 -5.620 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.843 -5.905 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.171 -6.012 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.316 -7.338 1.508 1.00 0.00 H new ATOM 67 N GLN A 5 0.390 -10.587 2.728 1.00 0.00 N ATOM 68 CA GLN A 5 1.656 -11.299 2.874 1.00 0.00 C ATOM 69 C GLN A 5 2.745 -10.597 2.068 1.00 0.00 C ATOM 70 O GLN A 5 2.970 -10.917 0.901 1.00 0.00 O ATOM 71 CB GLN A 5 1.511 -12.750 2.407 1.00 0.00 C ATOM 72 CG GLN A 5 0.335 -13.481 3.034 1.00 0.00 C ATOM 73 CD GLN A 5 0.458 -14.988 2.921 1.00 0.00 C ATOM 74 OE1 GLN A 5 0.872 -15.661 3.863 1.00 0.00 O ATOM 75 NE2 GLN A 5 0.097 -15.525 1.761 1.00 0.00 N ATOM 0 H GLN A 5 0.236 -10.198 1.798 1.00 0.00 H new ATOM 0 HA GLN A 5 1.936 -11.299 3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.399 -12.764 1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.429 -13.290 2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.259 -13.204 4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.588 -13.158 2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.241 -14.928 1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.158 -16.534 1.625 1.00 0.00 H new ATOM 84 N ALA A 6 3.404 -9.626 2.691 1.00 0.00 N ATOM 85 CA ALA A 6 4.455 -8.864 2.025 1.00 0.00 C ATOM 86 C ALA A 6 5.807 -9.567 2.099 1.00 0.00 C ATOM 87 O ALA A 6 6.179 -10.117 3.135 1.00 0.00 O ATOM 88 CB ALA A 6 4.547 -7.471 2.628 1.00 0.00 C ATOM 0 H ALA A 6 3.229 -9.348 3.657 1.00 0.00 H new ATOM 0 HA ALA A 6 4.190 -8.786 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.334 -6.908 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.595 -6.956 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.778 -7.549 3.690 1.00 0.00 H new ATOM 94 N SER A 7 6.537 -9.534 0.986 1.00 0.00 N ATOM 95 CA SER A 7 7.856 -10.155 0.903 1.00 0.00 C ATOM 96 C SER A 7 8.578 -9.708 -0.367 1.00 0.00 C ATOM 97 O SER A 7 7.964 -9.146 -1.276 1.00 0.00 O ATOM 98 CB SER A 7 7.730 -11.682 0.930 1.00 0.00 C ATOM 99 OG SER A 7 8.615 -12.286 0.001 1.00 0.00 O ATOM 0 H SER A 7 6.234 -9.080 0.124 1.00 0.00 H new ATOM 0 HA SER A 7 8.441 -9.837 1.766 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.945 -12.050 1.933 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.704 -11.969 0.699 1.00 0.00 H new ATOM 0 HG SER A 7 8.515 -13.260 0.040 1.00 0.00 H new ATOM 105 N GLY A 8 9.884 -9.958 -0.423 1.00 0.00 N ATOM 106 CA GLY A 8 10.665 -9.572 -1.585 1.00 0.00 C ATOM 107 C GLY A 8 11.702 -8.514 -1.263 1.00 0.00 C ATOM 108 O GLY A 8 12.094 -7.735 -2.134 1.00 0.00 O ATOM 0 H GLY A 8 10.414 -10.421 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.163 -10.452 -1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.996 -9.197 -2.360 1.00 0.00 H new ATOM 112 N GLY A 9 12.146 -8.484 -0.011 1.00 0.00 N ATOM 113 CA GLY A 9 13.138 -7.510 0.404 1.00 0.00 C ATOM 114 C GLY A 9 14.554 -7.965 0.126 1.00 0.00 C ATOM 115 O GLY A 9 14.968 -9.037 0.565 1.00 0.00 O ATOM 0 H GLY A 9 11.836 -9.118 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.955 -6.568 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.026 -7.315 1.471 1.00 0.00 H new ATOM 119 N GLY A 10 15.295 -7.144 -0.607 1.00 0.00 N ATOM 120 CA GLY A 10 16.667 -7.478 -0.936 1.00 0.00 C ATOM 121 C GLY A 10 17.660 -6.480 -0.375 1.00 0.00 C ATOM 122 O GLY A 10 17.290 -5.569 0.369 1.00 0.00 O ATOM 0 H GLY A 10 14.970 -6.252 -0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.898 -8.471 -0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.776 -7.524 -2.020 1.00 0.00 H new ATOM 126 N LEU A 11 18.928 -6.659 -0.732 1.00 0.00 N ATOM 127 CA LEU A 11 19.987 -5.774 -0.267 1.00 0.00 C ATOM 128 C LEU A 11 20.611 -5.022 -1.437 1.00 0.00 C ATOM 129 O LEU A 11 21.077 -5.631 -2.400 1.00 0.00 O ATOM 130 CB LEU A 11 21.058 -6.580 0.470 1.00 0.00 C ATOM 131 CG LEU A 11 21.100 -6.368 1.984 1.00 0.00 C ATOM 132 CD1 LEU A 11 20.278 -7.431 2.695 1.00 0.00 C ATOM 133 CD2 LEU A 11 22.538 -6.380 2.482 1.00 0.00 C ATOM 0 H LEU A 11 19.246 -7.411 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 11 19.553 -5.047 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.895 -7.639 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 11 22.033 -6.324 0.055 1.00 0.00 H new ATOM 0 HG LEU A 11 20.666 -5.394 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 11 20.320 -7.264 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 11 19.243 -7.375 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 11 20.681 -8.417 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 11 22.551 -6.228 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 11 22.997 -7.340 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 11 23.098 -5.581 1.996 1.00 0.00 H new ATOM 145 N VAL A 12 20.610 -3.696 -1.351 1.00 0.00 N ATOM 146 CA VAL A 12 21.173 -2.866 -2.412 1.00 0.00 C ATOM 147 C VAL A 12 22.131 -1.823 -1.856 1.00 0.00 C ATOM 148 O VAL A 12 22.424 -1.805 -0.660 1.00 0.00 O ATOM 149 CB VAL A 12 20.071 -2.140 -3.209 1.00 0.00 C ATOM 150 CG1 VAL A 12 19.028 -3.127 -3.710 1.00 0.00 C ATOM 151 CG2 VAL A 12 19.426 -1.051 -2.362 1.00 0.00 C ATOM 0 H VAL A 12 20.228 -3.174 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 12 21.714 -3.542 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 12 20.531 -1.668 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.260 -2.592 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 12 19.505 -3.862 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 12 18.571 -3.635 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 12 18.651 -0.550 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 12 18.982 -1.497 -1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 12 20.183 -0.325 -2.065 1.00 0.00 H new ATOM 161 N GLN A 13 22.603 -0.948 -2.735 1.00 0.00 N ATOM 162 CA GLN A 13 23.516 0.118 -2.350 1.00 0.00 C ATOM 163 C GLN A 13 22.837 1.471 -2.538 1.00 0.00 C ATOM 164 O GLN A 13 21.914 1.595 -3.339 1.00 0.00 O ATOM 165 CB GLN A 13 24.799 0.057 -3.183 1.00 0.00 C ATOM 166 CG GLN A 13 24.907 -1.183 -4.057 1.00 0.00 C ATOM 167 CD GLN A 13 24.635 -0.887 -5.519 1.00 0.00 C ATOM 168 OE1 GLN A 13 23.361 -0.739 -5.866 1.00 0.00 O flip ATOM 169 NE2 GLN A 13 25.558 -0.789 -6.327 1.00 0.00 N flip ATOM 0 H GLN A 13 22.365 -0.957 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 13 23.780 -0.011 -1.300 1.00 0.00 H new ATOM 0 HB2 GLN A 13 24.852 0.942 -3.817 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.658 0.093 -2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 13 25.905 -1.610 -3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 13 24.201 -1.935 -3.704 1.00 0.00 H new ATOM 0 HE21 GLN A 13 26.522 -0.910 -6.017 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.359 -0.587 -7.307 1.00 0.00 H new ATOM 178 N PRO A 14 23.275 2.504 -1.798 1.00 0.00 N ATOM 179 CA PRO A 14 22.688 3.846 -1.898 1.00 0.00 C ATOM 180 C PRO A 14 22.630 4.349 -3.337 1.00 0.00 C ATOM 181 O PRO A 14 23.586 4.942 -3.839 1.00 0.00 O ATOM 182 CB PRO A 14 23.634 4.706 -1.058 1.00 0.00 C ATOM 183 CG PRO A 14 24.217 3.756 -0.072 1.00 0.00 C ATOM 184 CD PRO A 14 24.366 2.453 -0.805 1.00 0.00 C ATOM 0 HA PRO A 14 21.654 3.869 -1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.408 5.164 -1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 14 23.100 5.516 -0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 14 25.180 4.112 0.293 1.00 0.00 H new ATOM 0 HG3 PRO A 14 23.568 3.645 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.342 2.368 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 14 24.263 1.599 -0.135 1.00 0.00 H new ATOM 192 N GLY A 15 21.498 4.107 -3.997 1.00 0.00 N ATOM 193 CA GLY A 15 21.332 4.540 -5.374 1.00 0.00 C ATOM 194 C GLY A 15 21.036 3.389 -6.320 1.00 0.00 C ATOM 195 O GLY A 15 21.088 3.555 -7.540 1.00 0.00 O ATOM 0 H GLY A 15 20.694 3.619 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 15 20.521 5.266 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 15 22.238 5.050 -5.702 1.00 0.00 H new ATOM 199 N GLY A 16 20.724 2.222 -5.761 1.00 0.00 N ATOM 200 CA GLY A 16 20.423 1.062 -6.579 1.00 0.00 C ATOM 201 C GLY A 16 18.954 0.976 -6.946 1.00 0.00 C ATOM 202 O GLY A 16 18.344 1.977 -7.325 1.00 0.00 O ATOM 0 H GLY A 16 20.675 2.060 -4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.020 1.099 -7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.714 0.158 -6.043 1.00 0.00 H new ATOM 206 N SER A 17 18.385 -0.221 -6.832 1.00 0.00 N ATOM 207 CA SER A 17 16.978 -0.432 -7.154 1.00 0.00 C ATOM 208 C SER A 17 16.483 -1.763 -6.599 1.00 0.00 C ATOM 209 O SER A 17 17.148 -2.791 -6.735 1.00 0.00 O ATOM 210 CB SER A 17 16.767 -0.387 -8.669 1.00 0.00 C ATOM 211 OG SER A 17 16.720 -1.693 -9.218 1.00 0.00 O ATOM 0 H SER A 17 18.876 -1.058 -6.519 1.00 0.00 H new ATOM 0 HA SER A 17 16.403 0.369 -6.690 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.839 0.139 -8.894 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.575 0.178 -9.135 1.00 0.00 H new ATOM 0 HG SER A 17 16.583 -1.636 -10.187 1.00 0.00 H new ATOM 217 N LEU A 18 15.309 -1.738 -5.976 1.00 0.00 N ATOM 218 CA LEU A 18 14.717 -2.942 -5.402 1.00 0.00 C ATOM 219 C LEU A 18 13.244 -3.049 -5.775 1.00 0.00 C ATOM 220 O LEU A 18 12.552 -2.038 -5.905 1.00 0.00 O ATOM 221 CB LEU A 18 14.869 -2.939 -3.879 1.00 0.00 C ATOM 222 CG LEU A 18 15.780 -4.030 -3.313 1.00 0.00 C ATOM 223 CD1 LEU A 18 16.126 -3.736 -1.862 1.00 0.00 C ATOM 224 CD2 LEU A 18 15.124 -5.396 -3.433 1.00 0.00 C ATOM 0 H LEU A 18 14.747 -0.895 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 18 15.244 -3.805 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.257 -1.968 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.881 -3.045 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 18 16.701 -4.039 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 18 16.775 -4.522 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.641 -2.777 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 18 15.211 -3.697 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 18 15.790 -6.156 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.186 -5.399 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.926 -5.613 -4.483 1.00 0.00 H new ATOM 236 N ARG A 19 12.768 -4.276 -5.945 1.00 0.00 N ATOM 237 CA ARG A 19 11.375 -4.512 -6.301 1.00 0.00 C ATOM 238 C ARG A 19 10.712 -5.450 -5.298 1.00 0.00 C ATOM 239 O ARG A 19 11.014 -6.643 -5.256 1.00 0.00 O ATOM 240 CB ARG A 19 11.278 -5.100 -7.710 1.00 0.00 C ATOM 241 CG ARG A 19 9.852 -5.384 -8.155 1.00 0.00 C ATOM 242 CD ARG A 19 9.627 -4.966 -9.599 1.00 0.00 C ATOM 243 NE ARG A 19 10.616 -5.552 -10.499 1.00 0.00 N ATOM 244 CZ ARG A 19 10.449 -6.714 -11.125 1.00 0.00 C ATOM 245 NH1 ARG A 19 9.335 -7.413 -10.950 1.00 0.00 N ATOM 246 NH2 ARG A 19 11.397 -7.180 -11.926 1.00 0.00 N ATOM 0 H ARG A 19 13.326 -5.123 -5.842 1.00 0.00 H new ATOM 0 HA ARG A 19 10.852 -3.556 -6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.739 -4.409 -8.416 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.853 -6.025 -7.749 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.640 -6.448 -8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.155 -4.852 -7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.628 -5.268 -9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.669 -3.879 -9.672 1.00 0.00 H new ATOM 0 HE ARG A 19 11.485 -5.041 -10.657 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.603 -7.060 -10.334 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.211 -8.303 -11.432 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.256 -6.647 -12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.267 -8.071 -12.405 1.00 0.00 H new ATOM 260 N VAL A 20 9.808 -4.903 -4.491 1.00 0.00 N ATOM 261 CA VAL A 20 9.105 -5.697 -3.489 1.00 0.00 C ATOM 262 C VAL A 20 7.639 -5.877 -3.871 1.00 0.00 C ATOM 263 O VAL A 20 7.099 -5.109 -4.669 1.00 0.00 O ATOM 264 CB VAL A 20 9.199 -5.051 -2.091 1.00 0.00 C ATOM 265 CG1 VAL A 20 10.637 -4.669 -1.778 1.00 0.00 C ATOM 266 CG2 VAL A 20 8.285 -3.838 -1.989 1.00 0.00 C ATOM 0 H VAL A 20 9.546 -3.917 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 20 9.588 -6.673 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 20 8.868 -5.783 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.686 -4.215 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.263 -5.561 -1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.995 -3.957 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.370 -3.401 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.576 -3.099 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.254 -4.144 -2.164 1.00 0.00 H new ATOM 276 N SER A 21 7.000 -6.899 -3.309 1.00 0.00 N ATOM 277 CA SER A 21 5.599 -7.172 -3.609 1.00 0.00 C ATOM 278 C SER A 21 4.830 -7.591 -2.361 1.00 0.00 C ATOM 279 O SER A 21 5.421 -7.927 -1.335 1.00 0.00 O ATOM 280 CB SER A 21 5.490 -8.260 -4.677 1.00 0.00 C ATOM 281 OG SER A 21 5.888 -9.520 -4.166 1.00 0.00 O ATOM 0 H SER A 21 7.427 -7.548 -2.648 1.00 0.00 H new ATOM 0 HA SER A 21 5.155 -6.250 -3.984 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.463 -8.318 -5.037 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.113 -7.998 -5.532 1.00 0.00 H new ATOM 0 HG SER A 21 5.807 -10.198 -4.869 1.00 0.00 H new ATOM 287 N CYS A 22 3.504 -7.565 -2.463 1.00 0.00 N ATOM 288 CA CYS A 22 2.636 -7.939 -1.352 1.00 0.00 C ATOM 289 C CYS A 22 1.400 -8.670 -1.860 1.00 0.00 C ATOM 290 O CYS A 22 0.542 -8.080 -2.516 1.00 0.00 O ATOM 291 CB CYS A 22 2.229 -6.693 -0.562 1.00 0.00 C ATOM 292 SG CYS A 22 0.587 -6.799 0.220 1.00 0.00 S ATOM 0 H CYS A 22 3.006 -7.287 -3.309 1.00 0.00 H new ATOM 0 HA CYS A 22 3.185 -8.611 -0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.975 -6.509 0.211 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.244 -5.833 -1.231 1.00 0.00 H new ATOM 297 N ALA A 23 1.321 -9.963 -1.559 1.00 0.00 N ATOM 298 CA ALA A 23 0.195 -10.779 -1.994 1.00 0.00 C ATOM 299 C ALA A 23 -0.959 -10.708 -1.000 1.00 0.00 C ATOM 300 O ALA A 23 -0.764 -10.854 0.206 1.00 0.00 O ATOM 301 CB ALA A 23 0.634 -12.220 -2.193 1.00 0.00 C ATOM 0 H ALA A 23 2.023 -10.466 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.159 -10.382 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.217 -12.818 -2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.416 -12.261 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.018 -12.616 -1.253 1.00 0.00 H new ATOM 307 N ALA A 24 -2.163 -10.489 -1.516 1.00 0.00 N ATOM 308 CA ALA A 24 -3.352 -10.402 -0.677 1.00 0.00 C ATOM 309 C ALA A 24 -4.503 -11.197 -1.286 1.00 0.00 C ATOM 310 O ALA A 24 -4.414 -11.658 -2.425 1.00 0.00 O ATOM 311 CB ALA A 24 -3.753 -8.949 -0.477 1.00 0.00 C ATOM 0 H ALA A 24 -2.342 -10.368 -2.513 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.118 -10.834 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.642 -8.900 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.938 -8.410 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.967 -8.494 -1.444 1.00 0.00 H new ATOM 317 N SER A 25 -5.580 -11.356 -0.523 1.00 0.00 N ATOM 318 CA SER A 25 -6.746 -12.098 -0.991 1.00 0.00 C ATOM 319 C SER A 25 -7.914 -11.950 -0.023 1.00 0.00 C ATOM 320 O SER A 25 -7.736 -12.019 1.194 1.00 0.00 O ATOM 321 CB SER A 25 -6.400 -13.580 -1.160 1.00 0.00 C ATOM 322 OG SER A 25 -6.852 -14.070 -2.411 1.00 0.00 O ATOM 0 H SER A 25 -5.670 -10.981 0.421 1.00 0.00 H new ATOM 0 HA SER A 25 -7.041 -11.685 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.321 -13.716 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.854 -14.157 -0.354 1.00 0.00 H new ATOM 0 HG SER A 25 -6.617 -15.018 -2.495 1.00 0.00 H new ATOM 328 N GLY A 26 -9.109 -11.751 -0.570 1.00 0.00 N ATOM 329 CA GLY A 26 -10.289 -11.602 0.261 1.00 0.00 C ATOM 330 C GLY A 26 -11.068 -10.338 -0.046 1.00 0.00 C ATOM 331 O GLY A 26 -12.075 -10.051 0.600 1.00 0.00 O ATOM 0 H GLY A 26 -9.281 -11.690 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.938 -12.466 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.991 -11.594 1.309 1.00 0.00 H new ATOM 335 N PHE A 27 -10.604 -9.580 -1.036 1.00 0.00 N ATOM 336 CA PHE A 27 -11.268 -8.340 -1.423 1.00 0.00 C ATOM 337 C PHE A 27 -10.891 -7.939 -2.848 1.00 0.00 C ATOM 338 O PHE A 27 -11.520 -7.062 -3.442 1.00 0.00 O ATOM 339 CB PHE A 27 -10.917 -7.216 -0.437 1.00 0.00 C ATOM 340 CG PHE A 27 -9.488 -6.729 -0.507 1.00 0.00 C ATOM 341 CD1 PHE A 27 -8.459 -7.570 -0.910 1.00 0.00 C ATOM 342 CD2 PHE A 27 -9.180 -5.424 -0.159 1.00 0.00 C ATOM 343 CE1 PHE A 27 -7.156 -7.116 -0.966 1.00 0.00 C ATOM 344 CE2 PHE A 27 -7.878 -4.967 -0.211 1.00 0.00 C ATOM 345 CZ PHE A 27 -6.864 -5.813 -0.616 1.00 0.00 C ATOM 0 H PHE A 27 -9.773 -9.803 -1.583 1.00 0.00 H new ATOM 0 HA PHE A 27 -12.345 -8.507 -1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.582 -6.372 -0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.117 -7.566 0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.680 -8.591 -1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.968 -4.756 0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.366 -7.780 -1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.652 -3.948 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.846 -5.456 -0.659 1.00 0.00 H new ATOM 355 N THR A 28 -9.863 -8.594 -3.385 1.00 0.00 N ATOM 356 CA THR A 28 -9.387 -8.323 -4.739 1.00 0.00 C ATOM 357 C THR A 28 -8.817 -6.912 -4.864 1.00 0.00 C ATOM 358 O THR A 28 -9.338 -5.963 -4.280 1.00 0.00 O ATOM 359 CB THR A 28 -10.505 -8.512 -5.784 1.00 0.00 C ATOM 360 OG1 THR A 28 -11.088 -9.814 -5.650 1.00 0.00 O ATOM 361 CG2 THR A 28 -9.964 -8.337 -7.196 1.00 0.00 C ATOM 0 H THR A 28 -9.341 -9.322 -2.898 1.00 0.00 H new ATOM 0 HA THR A 28 -8.594 -9.044 -4.935 1.00 0.00 H new ATOM 0 HB THR A 28 -11.267 -7.753 -5.607 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.798 -9.925 -6.316 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.772 -8.475 -7.915 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.549 -7.335 -7.305 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.184 -9.075 -7.381 1.00 0.00 H new ATOM 369 N PHE A 29 -7.740 -6.785 -5.637 1.00 0.00 N ATOM 370 CA PHE A 29 -7.094 -5.495 -5.847 1.00 0.00 C ATOM 371 C PHE A 29 -7.803 -4.709 -6.946 1.00 0.00 C ATOM 372 O PHE A 29 -8.834 -5.140 -7.463 1.00 0.00 O ATOM 373 CB PHE A 29 -5.624 -5.692 -6.222 1.00 0.00 C ATOM 374 CG PHE A 29 -4.675 -5.496 -5.074 1.00 0.00 C ATOM 375 CD1 PHE A 29 -4.629 -6.407 -4.032 1.00 0.00 C ATOM 376 CD2 PHE A 29 -3.825 -4.402 -5.040 1.00 0.00 C ATOM 377 CE1 PHE A 29 -3.753 -6.234 -2.979 1.00 0.00 C ATOM 378 CE2 PHE A 29 -2.947 -4.221 -3.987 1.00 0.00 C ATOM 379 CZ PHE A 29 -2.911 -5.138 -2.956 1.00 0.00 C ATOM 0 H PHE A 29 -7.297 -7.562 -6.128 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.154 -4.930 -4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.492 -6.697 -6.623 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.365 -4.995 -7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.287 -7.264 -4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.849 -3.683 -5.845 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.726 -6.954 -2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.291 -3.364 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.226 -4.999 -2.133 1.00 0.00 H new ATOM 389 N SER A 30 -7.238 -3.557 -7.301 1.00 0.00 N ATOM 390 CA SER A 30 -7.809 -2.708 -8.343 1.00 0.00 C ATOM 391 C SER A 30 -9.268 -2.376 -8.041 1.00 0.00 C ATOM 392 O SER A 30 -10.052 -2.091 -8.946 1.00 0.00 O ATOM 393 CB SER A 30 -7.696 -3.394 -9.707 1.00 0.00 C ATOM 394 OG SER A 30 -8.120 -2.533 -10.749 1.00 0.00 O ATOM 0 H SER A 30 -6.384 -3.190 -6.881 1.00 0.00 H new ATOM 0 HA SER A 30 -7.245 -1.775 -8.366 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.664 -3.698 -9.880 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.300 -4.301 -9.712 1.00 0.00 H new ATOM 0 HG SER A 30 -8.986 -2.139 -10.516 1.00 0.00 H new ATOM 400 N SER A 31 -9.622 -2.412 -6.761 1.00 0.00 N ATOM 401 CA SER A 31 -10.982 -2.111 -6.330 1.00 0.00 C ATOM 402 C SER A 31 -10.968 -1.428 -4.968 1.00 0.00 C ATOM 403 O SER A 31 -11.857 -0.639 -4.647 1.00 0.00 O ATOM 404 CB SER A 31 -11.818 -3.391 -6.265 1.00 0.00 C ATOM 405 OG SER A 31 -12.843 -3.382 -7.243 1.00 0.00 O ATOM 0 H SER A 31 -8.983 -2.648 -6.001 1.00 0.00 H new ATOM 0 HA SER A 31 -11.431 -1.435 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.174 -4.257 -6.417 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.259 -3.491 -5.273 1.00 0.00 H new ATOM 0 HG SER A 31 -13.361 -4.211 -7.181 1.00 0.00 H new ATOM 411 N TYR A 32 -9.947 -1.736 -4.177 1.00 0.00 N ATOM 412 CA TYR A 32 -9.799 -1.154 -2.849 1.00 0.00 C ATOM 413 C TYR A 32 -8.539 -0.300 -2.778 1.00 0.00 C ATOM 414 O TYR A 32 -7.645 -0.423 -3.616 1.00 0.00 O ATOM 415 CB TYR A 32 -9.736 -2.256 -1.789 1.00 0.00 C ATOM 416 CG TYR A 32 -11.086 -2.831 -1.423 1.00 0.00 C ATOM 417 CD1 TYR A 32 -11.665 -3.837 -2.186 1.00 0.00 C ATOM 418 CD2 TYR A 32 -11.777 -2.371 -0.309 1.00 0.00 C ATOM 419 CE1 TYR A 32 -12.897 -4.367 -1.850 1.00 0.00 C ATOM 420 CE2 TYR A 32 -13.009 -2.896 0.032 1.00 0.00 C ATOM 421 CZ TYR A 32 -13.565 -3.894 -0.740 1.00 0.00 C ATOM 422 OH TYR A 32 -14.791 -4.419 -0.402 1.00 0.00 O ATOM 0 H TYR A 32 -9.206 -2.389 -4.434 1.00 0.00 H new ATOM 0 HA TYR A 32 -10.666 -0.522 -2.655 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.096 -3.060 -2.152 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.266 -1.856 -0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.145 -4.211 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.345 -1.591 0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.334 -5.148 -2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.534 -2.526 0.900 1.00 0.00 H new ATOM 0 HH TYR A 32 -15.125 -3.976 0.406 1.00 0.00 H new ATOM 432 N HIS A 33 -8.469 0.560 -1.768 1.00 0.00 N ATOM 433 CA HIS A 33 -7.311 1.427 -1.584 1.00 0.00 C ATOM 434 C HIS A 33 -6.220 0.694 -0.815 1.00 0.00 C ATOM 435 O HIS A 33 -6.507 -0.038 0.131 1.00 0.00 O ATOM 436 CB HIS A 33 -7.712 2.700 -0.835 1.00 0.00 C ATOM 437 CG HIS A 33 -8.863 3.428 -1.459 1.00 0.00 C ATOM 438 ND1 HIS A 33 -8.705 4.401 -2.422 1.00 0.00 N ATOM 439 CD2 HIS A 33 -10.198 3.323 -1.249 1.00 0.00 C ATOM 440 CE1 HIS A 33 -9.891 4.864 -2.777 1.00 0.00 C ATOM 441 NE2 HIS A 33 -10.812 4.225 -2.080 1.00 0.00 N ATOM 0 H HIS A 33 -9.199 0.675 -1.065 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.927 1.703 -2.566 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.971 2.441 0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.853 3.369 -0.788 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.687 2.654 -0.556 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.075 5.634 -3.512 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.818 4.377 -2.148 1.00 0.00 H new ATOM 450 N MET A 34 -4.970 0.890 -1.222 1.00 0.00 N ATOM 451 CA MET A 34 -3.843 0.241 -0.557 1.00 0.00 C ATOM 452 C MET A 34 -2.681 1.207 -0.388 1.00 0.00 C ATOM 453 O MET A 34 -2.732 2.346 -0.860 1.00 0.00 O ATOM 454 CB MET A 34 -3.386 -0.993 -1.335 1.00 0.00 C ATOM 455 CG MET A 34 -4.529 -1.894 -1.775 1.00 0.00 C ATOM 456 SD MET A 34 -5.118 -2.967 -0.450 1.00 0.00 S ATOM 457 CE MET A 34 -3.592 -3.738 0.084 1.00 0.00 C ATOM 0 H MET A 34 -4.711 1.490 -2.005 1.00 0.00 H new ATOM 0 HA MET A 34 -4.180 -0.074 0.430 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.829 -0.671 -2.215 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.699 -1.569 -0.715 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.354 -1.279 -2.133 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.201 -2.507 -2.615 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.472 -4.696 -0.422 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.751 -3.090 -0.163 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.623 -3.898 1.162 1.00 0.00 H new ATOM 467 N ALA A 35 -1.634 0.750 0.295 1.00 0.00 N ATOM 468 CA ALA A 35 -0.466 1.584 0.534 1.00 0.00 C ATOM 469 C ALA A 35 0.744 0.766 0.976 1.00 0.00 C ATOM 470 O ALA A 35 0.608 -0.277 1.614 1.00 0.00 O ATOM 471 CB ALA A 35 -0.794 2.635 1.583 1.00 0.00 C ATOM 0 H ALA A 35 -1.573 -0.189 0.690 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.205 2.067 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.083 3.258 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.616 3.257 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.084 2.144 2.512 1.00 0.00 H new ATOM 477 N TRP A 36 1.930 1.269 0.644 1.00 0.00 N ATOM 478 CA TRP A 36 3.183 0.621 1.012 1.00 0.00 C ATOM 479 C TRP A 36 3.838 1.386 2.152 1.00 0.00 C ATOM 480 O TRP A 36 4.354 2.483 1.946 1.00 0.00 O ATOM 481 CB TRP A 36 4.133 0.570 -0.186 1.00 0.00 C ATOM 482 CG TRP A 36 4.116 -0.737 -0.915 1.00 0.00 C ATOM 483 CD1 TRP A 36 3.632 -0.967 -2.169 1.00 0.00 C ATOM 484 CD2 TRP A 36 4.606 -1.996 -0.436 1.00 0.00 C ATOM 485 NE1 TRP A 36 3.791 -2.290 -2.501 1.00 0.00 N ATOM 486 CE2 TRP A 36 4.387 -2.942 -1.454 1.00 0.00 C ATOM 487 CE3 TRP A 36 5.211 -2.413 0.752 1.00 0.00 C ATOM 488 CZ2 TRP A 36 4.751 -4.279 -1.319 1.00 0.00 C ATOM 489 CZ3 TRP A 36 5.571 -3.743 0.885 1.00 0.00 C ATOM 490 CH2 TRP A 36 5.340 -4.662 -0.147 1.00 0.00 C ATOM 0 H TRP A 36 2.048 2.133 0.115 1.00 0.00 H new ATOM 0 HA TRP A 36 2.969 -0.399 1.331 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.869 1.367 -0.881 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.148 0.770 0.158 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.188 -0.218 -2.808 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.511 -2.718 -3.384 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.394 -1.711 1.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.574 -4.989 -2.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.038 -4.078 1.800 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.633 -5.693 -0.014 1.00 0.00 H new ATOM 501 N VAL A 37 3.808 0.811 3.351 1.00 0.00 N ATOM 502 CA VAL A 37 4.384 1.464 4.522 1.00 0.00 C ATOM 503 C VAL A 37 5.744 0.882 4.880 1.00 0.00 C ATOM 504 O VAL A 37 6.123 -0.184 4.399 1.00 0.00 O ATOM 505 CB VAL A 37 3.456 1.350 5.753 1.00 0.00 C ATOM 506 CG1 VAL A 37 2.025 1.690 5.382 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.531 -0.037 6.372 1.00 0.00 C ATOM 0 H VAL A 37 3.393 -0.102 3.537 1.00 0.00 H new ATOM 0 HA VAL A 37 4.502 2.514 4.256 1.00 0.00 H new ATOM 0 HB VAL A 37 3.800 2.070 6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.390 1.603 6.264 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.980 2.711 5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.675 1.001 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.868 -0.086 7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.225 -0.781 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.554 -0.239 6.689 1.00 0.00 H new ATOM 517 N ARG A 38 6.477 1.606 5.720 1.00 0.00 N ATOM 518 CA ARG A 38 7.803 1.181 6.141 1.00 0.00 C ATOM 519 C ARG A 38 8.028 1.476 7.623 1.00 0.00 C ATOM 520 O ARG A 38 7.454 2.416 8.175 1.00 0.00 O ATOM 521 CB ARG A 38 8.857 1.885 5.284 1.00 0.00 C ATOM 522 CG ARG A 38 10.240 1.942 5.910 1.00 0.00 C ATOM 523 CD ARG A 38 10.978 3.200 5.490 1.00 0.00 C ATOM 524 NE ARG A 38 10.373 4.404 6.054 1.00 0.00 N ATOM 525 CZ ARG A 38 10.768 5.637 5.754 1.00 0.00 C ATOM 526 NH1 ARG A 38 11.775 5.829 4.912 1.00 0.00 N ATOM 527 NH2 ARG A 38 10.154 6.681 6.297 1.00 0.00 N ATOM 0 H ARG A 38 6.172 2.492 6.122 1.00 0.00 H new ATOM 0 HA ARG A 38 7.889 0.103 6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.927 1.374 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.522 2.902 5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.152 1.913 6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.813 1.064 5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.018 3.134 5.809 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.982 3.272 4.402 1.00 0.00 H new ATOM 0 HE ARG A 38 9.604 4.292 6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.249 5.029 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.076 6.777 4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.379 6.537 6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.457 7.627 6.067 1.00 0.00 H new ATOM 541 N GLN A 39 8.871 0.667 8.258 1.00 0.00 N ATOM 542 CA GLN A 39 9.183 0.832 9.671 1.00 0.00 C ATOM 543 C GLN A 39 10.687 0.749 9.903 1.00 0.00 C ATOM 544 O GLN A 39 11.299 -0.304 9.709 1.00 0.00 O ATOM 545 CB GLN A 39 8.469 -0.233 10.504 1.00 0.00 C ATOM 546 CG GLN A 39 8.392 0.106 11.984 1.00 0.00 C ATOM 547 CD GLN A 39 7.230 -0.575 12.681 1.00 0.00 C ATOM 548 OE1 GLN A 39 7.073 -1.795 12.601 1.00 0.00 O ATOM 549 NE2 GLN A 39 6.409 0.209 13.369 1.00 0.00 N ATOM 0 H GLN A 39 9.352 -0.114 7.811 1.00 0.00 H new ATOM 0 HA GLN A 39 8.835 1.817 9.982 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.459 -0.369 10.117 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.987 -1.185 10.384 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.323 -0.187 12.469 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.298 1.186 12.101 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.577 1.214 13.408 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.610 -0.194 13.859 1.00 0.00 H new ATOM 558 N ALA A 40 11.276 1.865 10.318 1.00 0.00 N ATOM 559 CA ALA A 40 12.708 1.926 10.580 1.00 0.00 C ATOM 560 C ALA A 40 12.997 1.752 12.069 1.00 0.00 C ATOM 561 O ALA A 40 12.129 1.996 12.906 1.00 0.00 O ATOM 562 CB ALA A 40 13.279 3.246 10.082 1.00 0.00 C ATOM 0 H ALA A 40 10.781 2.742 10.480 1.00 0.00 H new ATOM 0 HA ALA A 40 13.189 1.109 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 40 14.350 3.279 10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.109 3.334 9.009 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.788 4.072 10.596 1.00 0.00 H new ATOM 568 N PRO A 41 14.226 1.331 12.421 1.00 0.00 N ATOM 569 CA PRO A 41 14.621 1.131 13.820 1.00 0.00 C ATOM 570 C PRO A 41 14.465 2.401 14.652 1.00 0.00 C ATOM 571 O PRO A 41 15.380 3.223 14.728 1.00 0.00 O ATOM 572 CB PRO A 41 16.100 0.728 13.731 1.00 0.00 C ATOM 573 CG PRO A 41 16.539 1.135 12.366 1.00 0.00 C ATOM 574 CD PRO A 41 15.327 1.019 11.493 1.00 0.00 C ATOM 0 HA PRO A 41 13.996 0.386 14.312 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.690 1.228 14.499 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.225 -0.344 13.881 1.00 0.00 H new ATOM 0 HG2 PRO A 41 16.923 2.155 12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 41 17.342 0.492 12.006 1.00 0.00 H new ATOM 0 HD2 PRO A 41 15.362 1.718 10.657 1.00 0.00 H new ATOM 0 HD3 PRO A 41 15.228 0.020 11.069 1.00 0.00 H new ATOM 582 N GLY A 42 13.299 2.555 15.275 1.00 0.00 N ATOM 583 CA GLY A 42 13.042 3.727 16.094 1.00 0.00 C ATOM 584 C GLY A 42 12.071 4.693 15.442 1.00 0.00 C ATOM 585 O GLY A 42 12.174 5.906 15.628 1.00 0.00 O ATOM 0 H GLY A 42 12.528 1.889 15.227 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.643 3.412 17.058 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.983 4.241 16.291 1.00 0.00 H new ATOM 589 N LYS A 43 11.125 4.156 14.678 1.00 0.00 N ATOM 590 CA LYS A 43 10.130 4.977 13.996 1.00 0.00 C ATOM 591 C LYS A 43 8.725 4.430 14.222 1.00 0.00 C ATOM 592 O LYS A 43 8.552 3.256 14.552 1.00 0.00 O ATOM 593 CB LYS A 43 10.430 5.039 12.497 1.00 0.00 C ATOM 594 CG LYS A 43 10.198 6.411 11.884 1.00 0.00 C ATOM 595 CD LYS A 43 10.763 6.496 10.476 1.00 0.00 C ATOM 596 CE LYS A 43 10.911 7.940 10.022 1.00 0.00 C ATOM 597 NZ LYS A 43 9.658 8.717 10.231 1.00 0.00 N ATOM 0 H LYS A 43 11.026 3.154 14.515 1.00 0.00 H new ATOM 0 HA LYS A 43 10.180 5.983 14.412 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.467 4.747 12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.806 4.310 11.980 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.129 6.624 11.862 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.662 7.173 12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.734 6.001 10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.108 5.962 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.727 8.411 10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.181 7.963 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.726 9.626 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.849 8.178 9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.522 8.890 11.247 1.00 0.00 H new ATOM 611 N GLY A 44 7.725 5.287 14.042 1.00 0.00 N ATOM 612 CA GLY A 44 6.348 4.871 14.229 1.00 0.00 C ATOM 613 C GLY A 44 5.658 4.538 12.919 1.00 0.00 C ATOM 614 O GLY A 44 4.504 4.911 12.709 1.00 0.00 O ATOM 0 H GLY A 44 7.844 6.263 13.770 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.321 3.999 14.882 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.798 5.665 14.734 1.00 0.00 H new ATOM 618 N LEU A 45 6.372 3.836 12.040 1.00 0.00 N ATOM 619 CA LEU A 45 5.834 3.446 10.737 1.00 0.00 C ATOM 620 C LEU A 45 5.507 4.666 9.880 1.00 0.00 C ATOM 621 O LEU A 45 5.349 5.777 10.386 1.00 0.00 O ATOM 622 CB LEU A 45 4.579 2.582 10.906 1.00 0.00 C ATOM 623 CG LEU A 45 4.218 1.712 9.700 1.00 0.00 C ATOM 624 CD1 LEU A 45 5.206 0.568 9.554 1.00 0.00 C ATOM 625 CD2 LEU A 45 2.799 1.176 9.837 1.00 0.00 C ATOM 0 H LEU A 45 7.329 3.524 12.208 1.00 0.00 H new ATOM 0 HA LEU A 45 6.603 2.865 10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.717 1.935 11.772 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.735 3.235 11.128 1.00 0.00 H new ATOM 0 HG LEU A 45 4.270 2.328 8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.934 -0.040 8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.209 0.970 9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.185 -0.048 10.453 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.558 0.559 8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.723 0.575 10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.099 2.010 9.895 1.00 0.00 H new ATOM 637 N GLU A 46 5.402 4.441 8.576 1.00 0.00 N ATOM 638 CA GLU A 46 5.087 5.502 7.627 1.00 0.00 C ATOM 639 C GLU A 46 4.395 4.913 6.400 1.00 0.00 C ATOM 640 O GLU A 46 4.864 3.934 5.833 1.00 0.00 O ATOM 641 CB GLU A 46 6.360 6.249 7.221 1.00 0.00 C ATOM 642 CG GLU A 46 6.350 6.739 5.783 1.00 0.00 C ATOM 643 CD GLU A 46 7.262 7.931 5.565 1.00 0.00 C ATOM 644 OE1 GLU A 46 7.559 8.642 6.548 1.00 0.00 O ATOM 645 OE2 GLU A 46 7.681 8.153 4.408 1.00 0.00 O ATOM 0 H GLU A 46 5.532 3.524 8.148 1.00 0.00 H new ATOM 0 HA GLU A 46 4.411 6.213 8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.497 7.102 7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.218 5.592 7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.657 5.927 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.332 7.009 5.503 1.00 0.00 H new ATOM 652 N TRP A 47 3.271 5.505 6.010 1.00 0.00 N ATOM 653 CA TRP A 47 2.504 5.019 4.866 1.00 0.00 C ATOM 654 C TRP A 47 3.310 5.068 3.564 1.00 0.00 C ATOM 655 O TRP A 47 3.059 4.280 2.660 1.00 0.00 O ATOM 656 CB TRP A 47 1.184 5.799 4.747 1.00 0.00 C ATOM 657 CG TRP A 47 0.984 6.488 3.432 1.00 0.00 C ATOM 658 CD1 TRP A 47 0.751 5.898 2.225 1.00 0.00 C ATOM 659 CD2 TRP A 47 0.984 7.899 3.195 1.00 0.00 C ATOM 660 NE1 TRP A 47 0.635 6.852 1.248 1.00 0.00 N ATOM 661 CE2 TRP A 47 0.765 8.090 1.819 1.00 0.00 C ATOM 662 CE3 TRP A 47 1.154 9.017 4.013 1.00 0.00 C ATOM 663 CZ2 TRP A 47 0.710 9.356 1.243 1.00 0.00 C ATOM 664 CZ3 TRP A 47 1.098 10.274 3.441 1.00 0.00 C ATOM 665 CH2 TRP A 47 0.877 10.435 2.068 1.00 0.00 C ATOM 0 H TRP A 47 2.870 6.323 6.469 1.00 0.00 H new ATOM 0 HA TRP A 47 2.272 3.968 5.039 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.355 5.111 4.912 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.144 6.543 5.542 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.670 4.833 2.063 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.477 6.670 0.257 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.326 8.902 5.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 0.542 9.482 0.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.227 11.147 4.064 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.838 11.431 1.652 1.00 0.00 H new ATOM 676 N VAL A 48 4.268 5.986 3.476 1.00 0.00 N ATOM 677 CA VAL A 48 5.108 6.128 2.280 1.00 0.00 C ATOM 678 C VAL A 48 4.279 6.363 1.007 1.00 0.00 C ATOM 679 O VAL A 48 4.197 7.490 0.521 1.00 0.00 O ATOM 680 CB VAL A 48 6.051 4.904 2.085 1.00 0.00 C ATOM 681 CG1 VAL A 48 6.413 4.694 0.617 1.00 0.00 C ATOM 682 CG2 VAL A 48 7.320 5.069 2.906 1.00 0.00 C ATOM 0 H VAL A 48 4.486 6.648 4.220 1.00 0.00 H new ATOM 0 HA VAL A 48 5.722 7.013 2.448 1.00 0.00 H new ATOM 0 HB VAL A 48 5.509 4.024 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.072 3.831 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.505 4.521 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.921 5.580 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.965 4.204 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.843 5.971 2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.062 5.151 3.962 1.00 0.00 H new ATOM 692 N SER A 49 3.689 5.304 0.447 1.00 0.00 N ATOM 693 CA SER A 49 2.916 5.445 -0.791 1.00 0.00 C ATOM 694 C SER A 49 1.499 4.895 -0.676 1.00 0.00 C ATOM 695 O SER A 49 1.255 3.917 0.021 1.00 0.00 O ATOM 696 CB SER A 49 3.637 4.736 -1.939 1.00 0.00 C ATOM 697 OG SER A 49 5.016 5.056 -1.954 1.00 0.00 O ATOM 0 H SER A 49 3.729 4.356 0.822 1.00 0.00 H new ATOM 0 HA SER A 49 2.836 6.514 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.512 3.658 -1.839 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.184 5.023 -2.888 1.00 0.00 H new ATOM 0 HG SER A 49 5.158 5.865 -2.488 1.00 0.00 H new ATOM 703 N THR A 50 0.576 5.535 -1.395 1.00 0.00 N ATOM 704 CA THR A 50 -0.827 5.127 -1.416 1.00 0.00 C ATOM 705 C THR A 50 -1.384 5.240 -2.832 1.00 0.00 C ATOM 706 O THR A 50 -1.247 6.280 -3.478 1.00 0.00 O ATOM 707 CB THR A 50 -1.688 5.984 -0.456 1.00 0.00 C ATOM 708 OG1 THR A 50 -1.710 5.388 0.845 1.00 0.00 O ATOM 709 CG2 THR A 50 -3.119 6.130 -0.957 1.00 0.00 C ATOM 0 H THR A 50 0.780 6.348 -1.977 1.00 0.00 H new ATOM 0 HA THR A 50 -0.872 4.091 -1.080 1.00 0.00 H new ATOM 0 HB THR A 50 -1.236 6.975 -0.411 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.046 5.826 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.690 6.738 -0.255 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.115 6.612 -1.935 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.578 5.145 -1.040 1.00 0.00 H new ATOM 717 N ILE A 51 -2.009 4.171 -3.315 1.00 0.00 N ATOM 718 CA ILE A 51 -2.578 4.173 -4.659 1.00 0.00 C ATOM 719 C ILE A 51 -4.077 3.904 -4.633 1.00 0.00 C ATOM 720 O ILE A 51 -4.564 3.101 -3.836 1.00 0.00 O ATOM 721 CB ILE A 51 -1.890 3.133 -5.567 1.00 0.00 C ATOM 722 CG1 ILE A 51 -2.405 3.254 -7.003 1.00 0.00 C ATOM 723 CG2 ILE A 51 -2.114 1.724 -5.034 1.00 0.00 C ATOM 724 CD1 ILE A 51 -1.332 3.043 -8.050 1.00 0.00 C ATOM 0 H ILE A 51 -2.134 3.299 -2.801 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.405 5.169 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.818 3.331 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.201 2.525 -7.158 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.846 4.241 -7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.621 1.005 -5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.699 1.645 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.183 1.513 -5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.769 3.143 -9.044 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.547 3.788 -7.922 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.907 2.045 -7.939 1.00 0.00 H new ATOM 736 N ASN A 52 -4.804 4.581 -5.516 1.00 0.00 N ATOM 737 CA ASN A 52 -6.251 4.420 -5.607 1.00 0.00 C ATOM 738 C ASN A 52 -6.616 3.428 -6.709 1.00 0.00 C ATOM 739 O ASN A 52 -5.915 3.326 -7.716 1.00 0.00 O ATOM 740 CB ASN A 52 -6.920 5.771 -5.874 1.00 0.00 C ATOM 741 CG ASN A 52 -6.475 6.394 -7.183 1.00 0.00 C ATOM 742 OD1 ASN A 52 -5.413 6.068 -7.713 1.00 0.00 O ATOM 743 ND2 ASN A 52 -7.291 7.298 -7.711 1.00 0.00 N ATOM 0 H ASN A 52 -4.413 5.249 -6.181 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.611 4.028 -4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.002 5.640 -5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.692 6.453 -5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.047 7.753 -8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.162 7.538 -7.237 1.00 0.00 H new ATOM 750 N PRO A 53 -7.722 2.679 -6.534 1.00 0.00 N ATOM 751 CA PRO A 53 -8.172 1.692 -7.523 1.00 0.00 C ATOM 752 C PRO A 53 -8.316 2.299 -8.915 1.00 0.00 C ATOM 753 O PRO A 53 -7.494 2.049 -9.798 1.00 0.00 O ATOM 754 CB PRO A 53 -9.534 1.243 -6.986 1.00 0.00 C ATOM 755 CG PRO A 53 -9.465 1.502 -5.521 1.00 0.00 C ATOM 756 CD PRO A 53 -8.617 2.732 -5.362 1.00 0.00 C ATOM 0 HA PRO A 53 -7.460 0.875 -7.641 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.347 1.802 -7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.714 0.188 -7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.460 1.657 -5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.027 0.654 -4.994 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.221 3.639 -5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.057 2.717 -4.427 1.00 0.00 H new ATOM 764 N GLY A 54 -9.359 3.101 -9.101 1.00 0.00 N ATOM 765 CA GLY A 54 -9.584 3.736 -10.387 1.00 0.00 C ATOM 766 C GLY A 54 -8.914 5.092 -10.478 1.00 0.00 C ATOM 767 O GLY A 54 -8.183 5.487 -9.570 1.00 0.00 O ATOM 0 H GLY A 54 -10.052 3.323 -8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.206 3.091 -11.180 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.655 3.850 -10.552 1.00 0.00 H new ATOM 771 N ASP A 55 -9.166 5.804 -11.574 1.00 0.00 N ATOM 772 CA ASP A 55 -8.586 7.128 -11.789 1.00 0.00 C ATOM 773 C ASP A 55 -7.065 7.055 -11.900 1.00 0.00 C ATOM 774 O ASP A 55 -6.514 7.074 -13.002 1.00 0.00 O ATOM 775 CB ASP A 55 -8.982 8.081 -10.657 1.00 0.00 C ATOM 776 CG ASP A 55 -10.400 8.595 -10.804 1.00 0.00 C ATOM 777 OD1 ASP A 55 -10.665 9.335 -11.774 1.00 0.00 O ATOM 778 OD2 ASP A 55 -11.246 8.256 -9.950 1.00 0.00 O ATOM 0 H ASP A 55 -9.771 5.484 -12.330 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.980 7.512 -12.730 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.882 7.567 -9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.293 8.925 -10.638 1.00 0.00 H new ATOM 783 N GLY A 56 -6.389 6.976 -10.757 1.00 0.00 N ATOM 784 CA GLY A 56 -4.940 6.905 -10.758 1.00 0.00 C ATOM 785 C GLY A 56 -4.311 7.895 -9.797 1.00 0.00 C ATOM 786 O GLY A 56 -3.087 7.985 -9.704 1.00 0.00 O ATOM 0 H GLY A 56 -6.819 6.960 -9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.628 5.895 -10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.570 7.096 -11.765 1.00 0.00 H new ATOM 790 N SER A 57 -5.153 8.637 -9.081 1.00 0.00 N ATOM 791 CA SER A 57 -4.680 9.626 -8.119 1.00 0.00 C ATOM 792 C SER A 57 -3.705 8.994 -7.132 1.00 0.00 C ATOM 793 O SER A 57 -4.063 8.075 -6.395 1.00 0.00 O ATOM 794 CB SER A 57 -5.862 10.236 -7.364 1.00 0.00 C ATOM 795 OG SER A 57 -5.534 11.515 -6.848 1.00 0.00 O ATOM 0 H SER A 57 -6.168 8.571 -9.150 1.00 0.00 H new ATOM 0 HA SER A 57 -4.161 10.413 -8.665 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.720 10.319 -8.031 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.156 9.576 -6.548 1.00 0.00 H new ATOM 0 HG SER A 57 -5.690 11.527 -5.881 1.00 0.00 H new ATOM 801 N THR A 58 -2.471 9.484 -7.130 1.00 0.00 N ATOM 802 CA THR A 58 -1.444 8.959 -6.240 1.00 0.00 C ATOM 803 C THR A 58 -1.141 9.926 -5.102 1.00 0.00 C ATOM 804 O THR A 58 -1.260 11.141 -5.256 1.00 0.00 O ATOM 805 CB THR A 58 -0.141 8.663 -7.003 1.00 0.00 C ATOM 806 OG1 THR A 58 -0.173 9.291 -8.291 1.00 0.00 O ATOM 807 CG2 THR A 58 0.058 7.165 -7.168 1.00 0.00 C ATOM 0 H THR A 58 -2.158 10.244 -7.734 1.00 0.00 H new ATOM 0 HA THR A 58 -1.838 8.032 -5.824 1.00 0.00 H new ATOM 0 HB THR A 58 0.692 9.064 -6.426 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.661 9.099 -8.769 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.985 6.979 -7.710 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.111 6.695 -6.186 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.779 6.746 -7.726 1.00 0.00 H new ATOM 815 N TYR A 59 -0.745 9.373 -3.961 1.00 0.00 N ATOM 816 CA TYR A 59 -0.418 10.177 -2.789 1.00 0.00 C ATOM 817 C TYR A 59 0.805 9.611 -2.075 1.00 0.00 C ATOM 818 O TYR A 59 0.830 8.437 -1.702 1.00 0.00 O ATOM 819 CB TYR A 59 -1.602 10.225 -1.819 1.00 0.00 C ATOM 820 CG TYR A 59 -2.949 10.331 -2.500 1.00 0.00 C ATOM 821 CD1 TYR A 59 -3.468 11.567 -2.863 1.00 0.00 C ATOM 822 CD2 TYR A 59 -3.701 9.196 -2.777 1.00 0.00 C ATOM 823 CE1 TYR A 59 -4.699 11.669 -3.483 1.00 0.00 C ATOM 824 CE2 TYR A 59 -4.932 9.289 -3.398 1.00 0.00 C ATOM 825 CZ TYR A 59 -5.426 10.527 -3.749 1.00 0.00 C ATOM 826 OH TYR A 59 -6.652 10.624 -4.366 1.00 0.00 O ATOM 0 H TYR A 59 -0.642 8.368 -3.823 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.196 11.189 -3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.588 9.328 -1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.476 11.076 -1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.901 12.463 -2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.317 8.225 -2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.090 12.638 -3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.504 8.397 -3.607 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.032 9.728 -4.481 1.00 0.00 H new ATOM 836 N TYR A 60 1.815 10.452 -1.883 1.00 0.00 N ATOM 837 CA TYR A 60 3.039 10.036 -1.208 1.00 0.00 C ATOM 838 C TYR A 60 3.341 10.956 -0.030 1.00 0.00 C ATOM 839 O TYR A 60 2.778 12.045 0.081 1.00 0.00 O ATOM 840 CB TYR A 60 4.219 10.040 -2.181 1.00 0.00 C ATOM 841 CG TYR A 60 4.084 9.051 -3.318 1.00 0.00 C ATOM 842 CD1 TYR A 60 3.255 9.315 -4.401 1.00 0.00 C ATOM 843 CD2 TYR A 60 4.794 7.858 -3.313 1.00 0.00 C ATOM 844 CE1 TYR A 60 3.137 8.418 -5.445 1.00 0.00 C ATOM 845 CE2 TYR A 60 4.681 6.955 -4.353 1.00 0.00 C ATOM 846 CZ TYR A 60 3.852 7.240 -5.416 1.00 0.00 C ATOM 847 OH TYR A 60 3.738 6.346 -6.456 1.00 0.00 O ATOM 0 H TYR A 60 1.810 11.426 -2.185 1.00 0.00 H new ATOM 0 HA TYR A 60 2.891 9.022 -0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.331 11.042 -2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.133 9.820 -1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.693 10.237 -4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.446 7.632 -2.482 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.488 8.639 -6.280 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.240 6.031 -4.333 1.00 0.00 H new ATOM 0 HH TYR A 60 4.574 6.331 -6.967 1.00 0.00 H new ATOM 857 N ALA A 61 4.238 10.513 0.845 1.00 0.00 N ATOM 858 CA ALA A 61 4.620 11.298 2.013 1.00 0.00 C ATOM 859 C ALA A 61 5.615 12.390 1.634 1.00 0.00 C ATOM 860 O ALA A 61 6.239 12.999 2.505 1.00 0.00 O ATOM 861 CB ALA A 61 5.204 10.394 3.089 1.00 0.00 C ATOM 0 H ALA A 61 4.714 9.614 0.767 1.00 0.00 H new ATOM 0 HA ALA A 61 3.726 11.779 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.485 10.994 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.461 9.654 3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.086 9.886 2.698 1.00 0.00 H new ATOM 867 N ASP A 62 5.751 12.625 0.325 1.00 0.00 N ATOM 868 CA ASP A 62 6.664 13.638 -0.211 1.00 0.00 C ATOM 869 C ASP A 62 8.114 13.163 -0.159 1.00 0.00 C ATOM 870 O ASP A 62 8.843 13.262 -1.146 1.00 0.00 O ATOM 871 CB ASP A 62 6.520 14.962 0.543 1.00 0.00 C ATOM 872 CG ASP A 62 6.092 16.100 -0.362 1.00 0.00 C ATOM 873 OD1 ASP A 62 5.041 15.969 -1.024 1.00 0.00 O ATOM 874 OD2 ASP A 62 6.807 17.122 -0.409 1.00 0.00 O ATOM 0 H ASP A 62 5.231 12.118 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 62 6.392 13.799 -1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.789 14.843 1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.470 15.214 1.014 1.00 0.00 H new ATOM 879 N SER A 63 8.525 12.647 0.994 1.00 0.00 N ATOM 880 CA SER A 63 9.886 12.157 1.172 1.00 0.00 C ATOM 881 C SER A 63 10.037 10.756 0.592 1.00 0.00 C ATOM 882 O SER A 63 11.021 10.065 0.858 1.00 0.00 O ATOM 883 CB SER A 63 10.253 12.146 2.656 1.00 0.00 C ATOM 884 OG SER A 63 10.040 13.418 3.244 1.00 0.00 O ATOM 0 H SER A 63 7.934 12.557 1.820 1.00 0.00 H new ATOM 0 HA SER A 63 10.561 12.827 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.656 11.397 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.298 11.858 2.773 1.00 0.00 H new ATOM 0 HG SER A 63 10.281 13.384 4.193 1.00 0.00 H new ATOM 890 N VAL A 64 9.053 10.340 -0.200 1.00 0.00 N ATOM 891 CA VAL A 64 9.072 9.020 -0.815 1.00 0.00 C ATOM 892 C VAL A 64 8.583 9.074 -2.258 1.00 0.00 C ATOM 893 O VAL A 64 8.278 8.043 -2.861 1.00 0.00 O ATOM 894 CB VAL A 64 8.203 8.027 -0.031 1.00 0.00 C ATOM 895 CG1 VAL A 64 8.861 7.668 1.291 1.00 0.00 C ATOM 896 CG2 VAL A 64 6.821 8.608 0.194 1.00 0.00 C ATOM 0 H VAL A 64 8.232 10.900 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 64 10.108 8.681 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 64 8.102 7.113 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.230 6.963 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.833 7.213 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.993 8.570 1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.213 7.895 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.904 9.535 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.351 8.812 -0.768 1.00 0.00 H new ATOM 906 N LYS A 65 8.507 10.282 -2.805 1.00 0.00 N ATOM 907 CA LYS A 65 8.049 10.474 -4.179 1.00 0.00 C ATOM 908 C LYS A 65 9.138 10.106 -5.179 1.00 0.00 C ATOM 909 O LYS A 65 8.992 9.157 -5.950 1.00 0.00 O ATOM 910 CB LYS A 65 7.612 11.925 -4.398 1.00 0.00 C ATOM 911 CG LYS A 65 6.154 12.183 -4.046 1.00 0.00 C ATOM 912 CD LYS A 65 5.232 11.870 -5.214 1.00 0.00 C ATOM 913 CE LYS A 65 5.316 12.936 -6.295 1.00 0.00 C ATOM 914 NZ LYS A 65 5.389 14.307 -5.718 1.00 0.00 N ATOM 0 H LYS A 65 8.756 11.144 -2.320 1.00 0.00 H new ATOM 0 HA LYS A 65 7.196 9.814 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.243 12.580 -3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.778 12.192 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.873 11.574 -3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.029 13.225 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.496 10.901 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.205 11.793 -4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.194 12.756 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.445 12.862 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.141 15.005 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.722 14.385 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.355 14.490 -5.379 1.00 0.00 H new ATOM 928 N GLY A 66 10.231 10.862 -5.162 1.00 0.00 N ATOM 929 CA GLY A 66 11.329 10.599 -6.072 1.00 0.00 C ATOM 930 C GLY A 66 12.213 9.460 -5.604 1.00 0.00 C ATOM 931 O GLY A 66 13.424 9.475 -5.829 1.00 0.00 O ATOM 0 H GLY A 66 10.375 11.652 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.930 10.363 -7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.931 11.501 -6.179 1.00 0.00 H new ATOM 935 N ARG A 67 11.611 8.470 -4.951 1.00 0.00 N ATOM 936 CA ARG A 67 12.359 7.321 -4.452 1.00 0.00 C ATOM 937 C ARG A 67 11.535 6.043 -4.536 1.00 0.00 C ATOM 938 O ARG A 67 11.966 5.056 -5.129 1.00 0.00 O ATOM 939 CB ARG A 67 12.797 7.544 -3.003 1.00 0.00 C ATOM 940 CG ARG A 67 12.063 8.670 -2.300 1.00 0.00 C ATOM 941 CD ARG A 67 12.873 9.957 -2.313 1.00 0.00 C ATOM 942 NE ARG A 67 13.122 10.459 -0.964 1.00 0.00 N ATOM 943 CZ ARG A 67 13.060 11.745 -0.631 1.00 0.00 C ATOM 944 NH1 ARG A 67 12.773 12.659 -1.549 1.00 0.00 N ATOM 945 NH2 ARG A 67 13.290 12.120 0.620 1.00 0.00 N ATOM 0 H ARG A 67 10.610 8.440 -4.756 1.00 0.00 H new ATOM 0 HA ARG A 67 13.241 7.213 -5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.646 6.621 -2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.866 7.756 -2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.102 8.839 -2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.853 8.382 -1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.824 9.782 -2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.342 10.714 -2.890 1.00 0.00 H new ATOM 0 HE ARG A 67 13.357 9.785 -0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.599 12.376 -2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.726 13.645 -1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.515 11.422 1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.242 13.107 0.874 1.00 0.00 H new ATOM 959 N PHE A 68 10.358 6.060 -3.920 1.00 0.00 N ATOM 960 CA PHE A 68 9.494 4.888 -3.910 1.00 0.00 C ATOM 961 C PHE A 68 8.294 5.057 -4.832 1.00 0.00 C ATOM 962 O PHE A 68 7.526 6.009 -4.705 1.00 0.00 O ATOM 963 CB PHE A 68 9.018 4.597 -2.485 1.00 0.00 C ATOM 964 CG PHE A 68 10.136 4.327 -1.514 1.00 0.00 C ATOM 965 CD1 PHE A 68 11.344 3.803 -1.951 1.00 0.00 C ATOM 966 CD2 PHE A 68 9.976 4.595 -0.166 1.00 0.00 C ATOM 967 CE1 PHE A 68 12.369 3.554 -1.061 1.00 0.00 C ATOM 968 CE2 PHE A 68 10.999 4.347 0.730 1.00 0.00 C ATOM 969 CZ PHE A 68 12.196 3.825 0.281 1.00 0.00 C ATOM 0 H PHE A 68 9.983 6.868 -3.424 1.00 0.00 H new ATOM 0 HA PHE A 68 10.080 4.047 -4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.435 5.445 -2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.350 3.736 -2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.484 3.587 -3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.041 5.003 0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.305 3.148 -1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.862 4.561 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.996 3.629 0.979 1.00 0.00 H new ATOM 979 N THR A 69 8.133 4.108 -5.750 1.00 0.00 N ATOM 980 CA THR A 69 7.017 4.129 -6.684 1.00 0.00 C ATOM 981 C THR A 69 5.980 3.092 -6.283 1.00 0.00 C ATOM 982 O THR A 69 6.317 1.952 -5.970 1.00 0.00 O ATOM 983 CB THR A 69 7.473 3.855 -8.133 1.00 0.00 C ATOM 984 OG1 THR A 69 8.135 5.011 -8.665 1.00 0.00 O ATOM 985 CG2 THR A 69 6.289 3.490 -9.025 1.00 0.00 C ATOM 0 H THR A 69 8.764 3.315 -5.865 1.00 0.00 H new ATOM 0 HA THR A 69 6.583 5.128 -6.646 1.00 0.00 H new ATOM 0 HB THR A 69 8.163 3.012 -8.114 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.423 4.829 -9.584 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.642 3.303 -10.039 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.805 2.594 -8.638 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.574 4.313 -9.036 1.00 0.00 H new ATOM 993 N ILE A 70 4.720 3.494 -6.293 1.00 0.00 N ATOM 994 CA ILE A 70 3.639 2.599 -5.927 1.00 0.00 C ATOM 995 C ILE A 70 2.906 2.116 -7.177 1.00 0.00 C ATOM 996 O ILE A 70 2.498 2.910 -8.025 1.00 0.00 O ATOM 997 CB ILE A 70 2.666 3.289 -4.936 1.00 0.00 C ATOM 998 CG1 ILE A 70 2.155 2.281 -3.898 1.00 0.00 C ATOM 999 CG2 ILE A 70 1.510 3.965 -5.667 1.00 0.00 C ATOM 1000 CD1 ILE A 70 0.872 2.696 -3.211 1.00 0.00 C ATOM 0 H ILE A 70 4.422 4.435 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 70 4.061 1.729 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 70 3.216 4.071 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.998 1.320 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.927 2.131 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.848 4.438 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.902 4.721 -6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.953 3.220 -6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.579 1.930 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.027 3.641 -2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.084 2.817 -3.954 1.00 0.00 H new ATOM 1012 N SER A 71 2.772 0.800 -7.298 1.00 0.00 N ATOM 1013 CA SER A 71 2.115 0.205 -8.454 1.00 0.00 C ATOM 1014 C SER A 71 1.617 -1.195 -8.128 1.00 0.00 C ATOM 1015 O SER A 71 2.339 -2.002 -7.546 1.00 0.00 O ATOM 1016 CB SER A 71 3.075 0.158 -9.644 1.00 0.00 C ATOM 1017 OG SER A 71 4.378 -0.222 -9.234 1.00 0.00 O ATOM 0 H SER A 71 3.109 0.126 -6.610 1.00 0.00 H new ATOM 0 HA SER A 71 1.257 0.824 -8.716 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.704 -0.548 -10.387 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.112 1.136 -10.124 1.00 0.00 H new ATOM 0 HG SER A 71 4.972 -0.246 -10.013 1.00 0.00 H new ATOM 1023 N ARG A 72 0.378 -1.472 -8.508 1.00 0.00 N ATOM 1024 CA ARG A 72 -0.225 -2.776 -8.255 1.00 0.00 C ATOM 1025 C ARG A 72 -0.595 -3.470 -9.562 1.00 0.00 C ATOM 1026 O ARG A 72 -0.349 -2.944 -10.648 1.00 0.00 O ATOM 1027 CB ARG A 72 -1.466 -2.621 -7.375 1.00 0.00 C ATOM 1028 CG ARG A 72 -2.392 -1.501 -7.824 1.00 0.00 C ATOM 1029 CD ARG A 72 -3.832 -1.772 -7.420 1.00 0.00 C ATOM 1030 NE ARG A 72 -4.760 -1.563 -8.530 1.00 0.00 N ATOM 1031 CZ ARG A 72 -5.024 -0.372 -9.058 1.00 0.00 C ATOM 1032 NH1 ARG A 72 -4.439 0.717 -8.578 1.00 0.00 N ATOM 1033 NH2 ARG A 72 -5.876 -0.269 -10.069 1.00 0.00 N ATOM 0 H ARG A 72 -0.231 -0.812 -8.993 1.00 0.00 H new ATOM 0 HA ARG A 72 0.507 -3.394 -7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.019 -3.560 -7.372 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.152 -2.433 -6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.062 -0.558 -7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.332 -1.390 -8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.921 -2.797 -7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.105 -1.119 -6.591 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.232 -2.378 -8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.783 0.643 -7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.645 1.629 -8.987 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.329 -1.104 -10.441 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.079 0.645 -10.474 1.00 0.00 H new ATOM 1047 N ASP A 73 -1.189 -4.655 -9.447 1.00 0.00 N ATOM 1048 CA ASP A 73 -1.596 -5.423 -10.617 1.00 0.00 C ATOM 1049 C ASP A 73 -3.106 -5.350 -10.820 1.00 0.00 C ATOM 1050 O ASP A 73 -3.879 -5.602 -9.895 1.00 0.00 O ATOM 1051 CB ASP A 73 -1.164 -6.884 -10.471 1.00 0.00 C ATOM 1052 CG ASP A 73 -1.010 -7.579 -11.810 1.00 0.00 C ATOM 1053 OD1 ASP A 73 -1.732 -7.206 -12.759 1.00 0.00 O ATOM 1054 OD2 ASP A 73 -0.170 -8.497 -11.909 1.00 0.00 O ATOM 0 H ASP A 73 -1.399 -5.103 -8.555 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.107 -4.990 -11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.218 -6.928 -9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.899 -7.419 -9.870 1.00 0.00 H new ATOM 1059 N ASN A 74 -3.517 -5.006 -12.035 1.00 0.00 N ATOM 1060 CA ASN A 74 -4.936 -4.904 -12.360 1.00 0.00 C ATOM 1061 C ASN A 74 -5.551 -6.290 -12.514 1.00 0.00 C ATOM 1062 O ASN A 74 -4.918 -7.203 -13.047 1.00 0.00 O ATOM 1063 CB ASN A 74 -5.135 -4.096 -13.645 1.00 0.00 C ATOM 1064 CG ASN A 74 -3.961 -4.219 -14.596 1.00 0.00 C ATOM 1065 OD1 ASN A 74 -3.105 -3.337 -14.661 1.00 0.00 O ATOM 1066 ND2 ASN A 74 -3.916 -5.316 -15.341 1.00 0.00 N ATOM 0 H ASN A 74 -2.890 -4.793 -12.811 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.437 -4.389 -11.541 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.042 -4.435 -14.146 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.284 -3.047 -13.391 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.150 -5.454 -16.000 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.647 -6.022 -15.254 1.00 0.00 H new ATOM 1073 N ALA A 75 -6.786 -6.440 -12.042 1.00 0.00 N ATOM 1074 CA ALA A 75 -7.488 -7.717 -12.121 1.00 0.00 C ATOM 1075 C ALA A 75 -6.715 -8.812 -11.396 1.00 0.00 C ATOM 1076 O ALA A 75 -6.785 -9.985 -11.764 1.00 0.00 O ATOM 1077 CB ALA A 75 -7.716 -8.107 -13.574 1.00 0.00 C ATOM 0 H ALA A 75 -7.321 -5.692 -11.601 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.455 -7.602 -11.631 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.241 -9.062 -13.617 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.315 -7.341 -14.066 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.756 -8.198 -14.081 1.00 0.00 H new ATOM 1083 N LYS A 76 -5.976 -8.418 -10.366 1.00 0.00 N ATOM 1084 CA LYS A 76 -5.184 -9.362 -9.589 1.00 0.00 C ATOM 1085 C LYS A 76 -5.275 -9.052 -8.097 1.00 0.00 C ATOM 1086 O LYS A 76 -6.245 -8.445 -7.640 1.00 0.00 O ATOM 1087 CB LYS A 76 -3.726 -9.324 -10.050 1.00 0.00 C ATOM 1088 CG LYS A 76 -3.185 -10.681 -10.471 1.00 0.00 C ATOM 1089 CD LYS A 76 -2.486 -11.384 -9.320 1.00 0.00 C ATOM 1090 CE LYS A 76 -1.786 -12.652 -9.784 1.00 0.00 C ATOM 1091 NZ LYS A 76 -1.247 -13.440 -8.642 1.00 0.00 N ATOM 0 H LYS A 76 -5.909 -7.451 -10.050 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.584 -10.363 -9.752 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.636 -8.631 -10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.109 -8.931 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.003 -11.303 -10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.487 -10.555 -11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.758 -10.710 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.214 -11.631 -8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.486 -13.266 -10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.972 -12.390 -10.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.778 -14.296 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.560 -12.863 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.026 -13.712 -8.009 1.00 0.00 H new ATOM 1105 N ASN A 77 -4.266 -9.475 -7.342 1.00 0.00 N ATOM 1106 CA ASN A 77 -4.237 -9.245 -5.905 1.00 0.00 C ATOM 1107 C ASN A 77 -2.802 -9.109 -5.405 1.00 0.00 C ATOM 1108 O ASN A 77 -2.278 -10.007 -4.745 1.00 0.00 O ATOM 1109 CB ASN A 77 -4.931 -10.396 -5.174 1.00 0.00 C ATOM 1110 CG ASN A 77 -6.401 -10.124 -4.926 1.00 0.00 C ATOM 1111 OD1 ASN A 77 -7.231 -10.264 -5.824 1.00 0.00 O ATOM 1112 ND2 ASN A 77 -6.731 -9.735 -3.699 1.00 0.00 N ATOM 0 H ASN A 77 -3.457 -9.980 -7.704 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.766 -8.315 -5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.828 -11.309 -5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.431 -10.571 -4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.706 -9.539 -3.471 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.010 -9.632 -2.985 1.00 0.00 H new ATOM 1119 N THR A 78 -2.168 -7.985 -5.725 1.00 0.00 N ATOM 1120 CA THR A 78 -0.790 -7.747 -5.304 1.00 0.00 C ATOM 1121 C THR A 78 -0.435 -6.264 -5.333 1.00 0.00 C ATOM 1122 O THR A 78 -0.952 -5.503 -6.150 1.00 0.00 O ATOM 1123 CB THR A 78 0.211 -8.510 -6.194 1.00 0.00 C ATOM 1124 OG1 THR A 78 -0.447 -9.589 -6.870 1.00 0.00 O ATOM 1125 CG2 THR A 78 1.367 -9.054 -5.368 1.00 0.00 C ATOM 0 H THR A 78 -2.582 -7.229 -6.270 1.00 0.00 H new ATOM 0 HA THR A 78 -0.719 -8.111 -4.279 1.00 0.00 H new ATOM 0 HB THR A 78 0.607 -7.811 -6.931 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.199 -10.065 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.059 -9.588 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.888 -8.228 -4.883 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.983 -9.736 -4.609 1.00 0.00 H new ATOM 1133 N LEU A 79 0.466 -5.870 -4.438 1.00 0.00 N ATOM 1134 CA LEU A 79 0.926 -4.488 -4.349 1.00 0.00 C ATOM 1135 C LEU A 79 2.447 -4.448 -4.451 1.00 0.00 C ATOM 1136 O LEU A 79 3.141 -5.136 -3.704 1.00 0.00 O ATOM 1137 CB LEU A 79 0.464 -3.854 -3.033 1.00 0.00 C ATOM 1138 CG LEU A 79 0.632 -2.332 -2.943 1.00 0.00 C ATOM 1139 CD1 LEU A 79 -0.252 -1.627 -3.958 1.00 0.00 C ATOM 1140 CD2 LEU A 79 0.319 -1.845 -1.535 1.00 0.00 C ATOM 0 H LEU A 79 0.896 -6.496 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 79 0.497 -3.917 -5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.588 -4.096 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.018 -4.313 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 79 1.670 -2.091 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.114 -0.549 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.019 -1.950 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.296 -1.876 -3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.443 -0.763 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.709 -2.104 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.998 -2.319 -0.827 1.00 0.00 H new ATOM 1152 N TYR A 80 2.963 -3.661 -5.388 1.00 0.00 N ATOM 1153 CA TYR A 80 4.407 -3.567 -5.589 1.00 0.00 C ATOM 1154 C TYR A 80 4.948 -2.189 -5.226 1.00 0.00 C ATOM 1155 O TYR A 80 4.235 -1.187 -5.288 1.00 0.00 O ATOM 1156 CB TYR A 80 4.761 -3.883 -7.045 1.00 0.00 C ATOM 1157 CG TYR A 80 4.435 -5.298 -7.465 1.00 0.00 C ATOM 1158 CD1 TYR A 80 3.120 -5.700 -7.662 1.00 0.00 C ATOM 1159 CD2 TYR A 80 5.444 -6.232 -7.669 1.00 0.00 C ATOM 1160 CE1 TYR A 80 2.819 -6.992 -8.052 1.00 0.00 C ATOM 1161 CE2 TYR A 80 5.151 -7.525 -8.057 1.00 0.00 C ATOM 1162 CZ TYR A 80 3.838 -7.900 -8.247 1.00 0.00 C ATOM 1163 OH TYR A 80 3.544 -9.188 -8.635 1.00 0.00 O ATOM 0 H TYR A 80 2.408 -3.081 -6.018 1.00 0.00 H new ATOM 0 HA TYR A 80 4.871 -4.297 -4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.228 -3.190 -7.696 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.826 -3.707 -7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.319 -4.992 -7.508 1.00 0.00 H new ATOM 0 HD2 TYR A 80 6.474 -5.942 -7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.791 -7.288 -8.203 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.947 -8.239 -8.211 1.00 0.00 H new ATOM 0 HH TYR A 80 4.375 -9.699 -8.729 1.00 0.00 H new ATOM 1173 N LEU A 81 6.229 -2.155 -4.869 1.00 0.00 N ATOM 1174 CA LEU A 81 6.907 -0.912 -4.516 1.00 0.00 C ATOM 1175 C LEU A 81 8.273 -0.866 -5.185 1.00 0.00 C ATOM 1176 O LEU A 81 8.967 -1.881 -5.277 1.00 0.00 O ATOM 1177 CB LEU A 81 7.062 -0.781 -2.994 1.00 0.00 C ATOM 1178 CG LEU A 81 7.347 0.637 -2.465 1.00 0.00 C ATOM 1179 CD1 LEU A 81 8.772 1.072 -2.778 1.00 0.00 C ATOM 1180 CD2 LEU A 81 6.346 1.641 -3.021 1.00 0.00 C ATOM 0 H LEU A 81 6.823 -2.983 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 81 6.301 -0.077 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.150 -1.147 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.871 -1.437 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 81 7.236 0.608 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.939 2.077 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.474 0.382 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.925 1.069 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.571 2.634 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.411 1.655 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.338 1.354 -2.722 1.00 0.00 H new ATOM 1192 N GLN A 82 8.653 0.319 -5.643 1.00 0.00 N ATOM 1193 CA GLN A 82 9.938 0.508 -6.301 1.00 0.00 C ATOM 1194 C GLN A 82 10.883 1.292 -5.405 1.00 0.00 C ATOM 1195 O GLN A 82 10.746 2.506 -5.254 1.00 0.00 O ATOM 1196 CB GLN A 82 9.751 1.235 -7.635 1.00 0.00 C ATOM 1197 CG GLN A 82 11.025 1.332 -8.460 1.00 0.00 C ATOM 1198 CD GLN A 82 11.291 0.077 -9.269 1.00 0.00 C ATOM 1199 OE1 GLN A 82 10.832 -0.054 -10.404 1.00 0.00 O ATOM 1200 NE2 GLN A 82 12.038 -0.855 -8.687 1.00 0.00 N ATOM 0 H GLN A 82 8.088 1.165 -5.571 1.00 0.00 H new ATOM 0 HA GLN A 82 10.374 -0.472 -6.494 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.989 0.717 -8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.376 2.240 -7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.954 2.186 -9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.870 1.519 -7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.398 -0.705 -7.745 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.251 -1.721 -9.183 1.00 0.00 H new ATOM 1209 N MET A 83 11.837 0.590 -4.807 1.00 0.00 N ATOM 1210 CA MET A 83 12.803 1.215 -3.915 1.00 0.00 C ATOM 1211 C MET A 83 14.025 1.702 -4.684 1.00 0.00 C ATOM 1212 O MET A 83 15.035 1.003 -4.776 1.00 0.00 O ATOM 1213 CB MET A 83 13.225 0.232 -2.820 1.00 0.00 C ATOM 1214 CG MET A 83 12.269 -0.939 -2.655 1.00 0.00 C ATOM 1215 SD MET A 83 12.526 -1.833 -1.112 1.00 0.00 S ATOM 1216 CE MET A 83 11.048 -1.378 -0.210 1.00 0.00 C ATOM 0 H MET A 83 11.962 -0.415 -4.925 1.00 0.00 H new ATOM 0 HA MET A 83 12.327 2.080 -3.453 1.00 0.00 H new ATOM 0 HB2 MET A 83 14.219 -0.151 -3.050 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.300 0.766 -1.873 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.243 -0.573 -2.692 1.00 0.00 H new ATOM 0 HG3 MET A 83 12.393 -1.625 -3.493 1.00 0.00 H new ATOM 0 HE1 MET A 83 11.092 -1.796 0.796 1.00 0.00 H new ATOM 0 HE2 MET A 83 10.979 -0.292 -0.149 1.00 0.00 H new ATOM 0 HE3 MET A 83 10.172 -1.769 -0.727 1.00 0.00 H new ATOM 1226 N ASN A 84 13.924 2.906 -5.236 1.00 0.00 N ATOM 1227 CA ASN A 84 15.018 3.498 -5.995 1.00 0.00 C ATOM 1228 C ASN A 84 15.536 4.752 -5.298 1.00 0.00 C ATOM 1229 O ASN A 84 14.917 5.241 -4.354 1.00 0.00 O ATOM 1230 CB ASN A 84 14.558 3.834 -7.415 1.00 0.00 C ATOM 1231 CG ASN A 84 14.475 2.605 -8.299 1.00 0.00 C ATOM 1232 OD1 ASN A 84 14.151 1.512 -7.834 1.00 0.00 O ATOM 1233 ND2 ASN A 84 14.766 2.779 -9.583 1.00 0.00 N ATOM 0 H ASN A 84 13.092 3.493 -5.171 1.00 0.00 H new ATOM 0 HA ASN A 84 15.830 2.773 -6.052 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.581 4.316 -7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 84 15.249 4.552 -7.858 1.00 0.00 H new ATOM 0 HD21 ASN A 84 14.726 1.989 -10.227 1.00 0.00 H new ATOM 0 HD22 ASN A 84 15.030 3.703 -9.925 1.00 0.00 H new ATOM 1240 N SER A 85 16.674 5.263 -5.762 1.00 0.00 N ATOM 1241 CA SER A 85 17.272 6.456 -5.170 1.00 0.00 C ATOM 1242 C SER A 85 17.496 6.254 -3.674 1.00 0.00 C ATOM 1243 O SER A 85 17.519 7.213 -2.902 1.00 0.00 O ATOM 1244 CB SER A 85 16.378 7.675 -5.407 1.00 0.00 C ATOM 1245 OG SER A 85 17.025 8.632 -6.228 1.00 0.00 O ATOM 0 H SER A 85 17.199 4.871 -6.544 1.00 0.00 H new ATOM 0 HA SER A 85 18.236 6.630 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.446 7.360 -5.876 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.116 8.129 -4.451 1.00 0.00 H new ATOM 0 HG SER A 85 16.432 9.400 -6.365 1.00 0.00 H new ATOM 1251 N LEU A 86 17.650 4.994 -3.275 1.00 0.00 N ATOM 1252 CA LEU A 86 17.863 4.644 -1.875 1.00 0.00 C ATOM 1253 C LEU A 86 19.062 5.390 -1.297 1.00 0.00 C ATOM 1254 O LEU A 86 20.023 5.689 -2.009 1.00 0.00 O ATOM 1255 CB LEU A 86 18.067 3.134 -1.733 1.00 0.00 C ATOM 1256 CG LEU A 86 17.178 2.272 -2.635 1.00 0.00 C ATOM 1257 CD1 LEU A 86 17.924 1.871 -3.897 1.00 0.00 C ATOM 1258 CD2 LEU A 86 16.697 1.038 -1.889 1.00 0.00 C ATOM 0 H LEU A 86 17.631 4.194 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 86 16.976 4.940 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.110 2.902 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.885 2.854 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 86 16.308 2.863 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 86 17.275 1.259 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 86 18.220 2.766 -4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.813 1.300 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.067 0.438 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.556 0.447 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.123 1.343 -1.014 1.00 0.00 H new ATOM 1270 N LYS A 87 18.997 5.691 -0.002 1.00 0.00 N ATOM 1271 CA LYS A 87 20.076 6.408 0.673 1.00 0.00 C ATOM 1272 C LYS A 87 20.017 6.198 2.184 1.00 0.00 C ATOM 1273 O LYS A 87 19.853 7.151 2.948 1.00 0.00 O ATOM 1274 CB LYS A 87 20.008 7.905 0.350 1.00 0.00 C ATOM 1275 CG LYS A 87 18.639 8.374 -0.120 1.00 0.00 C ATOM 1276 CD LYS A 87 17.626 8.364 1.013 1.00 0.00 C ATOM 1277 CE LYS A 87 16.297 8.959 0.578 1.00 0.00 C ATOM 1278 NZ LYS A 87 15.817 9.998 1.532 1.00 0.00 N ATOM 0 H LYS A 87 18.210 5.450 0.600 1.00 0.00 H new ATOM 0 HA LYS A 87 21.022 6.007 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 87 20.290 8.471 1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 87 20.744 8.134 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 87 18.719 9.381 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 87 18.290 7.730 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.473 7.341 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.019 8.928 1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.403 9.398 -0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.553 8.167 0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.779 9.971 1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.213 9.813 2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.124 10.937 1.206 1.00 0.00 H new ATOM 1292 N SER A 88 20.155 4.942 2.608 1.00 0.00 N ATOM 1293 CA SER A 88 20.128 4.591 4.028 1.00 0.00 C ATOM 1294 C SER A 88 18.772 4.895 4.663 1.00 0.00 C ATOM 1295 O SER A 88 18.584 4.690 5.862 1.00 0.00 O ATOM 1296 CB SER A 88 21.235 5.335 4.780 1.00 0.00 C ATOM 1297 OG SER A 88 21.685 4.587 5.897 1.00 0.00 O ATOM 0 H SER A 88 20.287 4.146 1.984 1.00 0.00 H new ATOM 0 HA SER A 88 20.298 3.517 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 88 22.070 5.527 4.107 1.00 0.00 H new ATOM 0 HB3 SER A 88 20.864 6.304 5.113 1.00 0.00 H new ATOM 0 HG SER A 88 22.393 5.083 6.359 1.00 0.00 H new ATOM 1303 N GLU A 89 17.830 5.377 3.860 1.00 0.00 N ATOM 1304 CA GLU A 89 16.493 5.696 4.355 1.00 0.00 C ATOM 1305 C GLU A 89 15.529 4.555 4.049 1.00 0.00 C ATOM 1306 O GLU A 89 14.511 4.386 4.722 1.00 0.00 O ATOM 1307 CB GLU A 89 16.003 7.014 3.735 1.00 0.00 C ATOM 1308 CG GLU A 89 14.575 6.977 3.201 1.00 0.00 C ATOM 1309 CD GLU A 89 13.824 8.270 3.454 1.00 0.00 C ATOM 1310 OE1 GLU A 89 14.202 9.003 4.393 1.00 0.00 O ATOM 1311 OE2 GLU A 89 12.859 8.551 2.715 1.00 0.00 O ATOM 0 H GLU A 89 17.966 5.556 2.865 1.00 0.00 H new ATOM 0 HA GLU A 89 16.534 5.821 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.075 7.801 4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.674 7.288 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.597 6.777 2.130 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.038 6.152 3.668 1.00 0.00 H new ATOM 1318 N ASP A 90 15.865 3.770 3.031 1.00 0.00 N ATOM 1319 CA ASP A 90 15.043 2.638 2.627 1.00 0.00 C ATOM 1320 C ASP A 90 15.300 1.432 3.527 1.00 0.00 C ATOM 1321 O ASP A 90 14.472 0.526 3.619 1.00 0.00 O ATOM 1322 CB ASP A 90 15.335 2.274 1.170 1.00 0.00 C ATOM 1323 CG ASP A 90 14.908 0.862 0.826 1.00 0.00 C ATOM 1324 OD1 ASP A 90 13.702 0.650 0.578 1.00 0.00 O ATOM 1325 OD2 ASP A 90 15.778 -0.032 0.809 1.00 0.00 O ATOM 0 H ASP A 90 16.706 3.899 2.469 1.00 0.00 H new ATOM 0 HA ASP A 90 13.995 2.922 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.820 2.976 0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.402 2.384 0.979 1.00 0.00 H new ATOM 1330 N THR A 91 16.456 1.429 4.183 1.00 0.00 N ATOM 1331 CA THR A 91 16.830 0.336 5.074 1.00 0.00 C ATOM 1332 C THR A 91 15.816 0.165 6.200 1.00 0.00 C ATOM 1333 O THR A 91 15.942 0.782 7.259 1.00 0.00 O ATOM 1334 CB THR A 91 18.224 0.568 5.687 1.00 0.00 C ATOM 1335 OG1 THR A 91 19.175 0.846 4.652 1.00 0.00 O ATOM 1336 CG2 THR A 91 18.677 -0.646 6.484 1.00 0.00 C ATOM 0 H THR A 91 17.151 2.172 4.114 1.00 0.00 H new ATOM 0 HA THR A 91 16.849 -0.571 4.469 1.00 0.00 H new ATOM 0 HB THR A 91 18.160 1.422 6.362 1.00 0.00 H new ATOM 0 HG1 THR A 91 20.058 0.994 5.050 1.00 0.00 H new ATOM 0 HG21 THR A 91 19.664 -0.456 6.906 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.968 -0.837 7.290 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.724 -1.515 5.828 1.00 0.00 H new ATOM 1344 N ALA A 92 14.811 -0.677 5.963 1.00 0.00 N ATOM 1345 CA ALA A 92 13.770 -0.933 6.953 1.00 0.00 C ATOM 1346 C ALA A 92 12.768 -1.961 6.439 1.00 0.00 C ATOM 1347 O ALA A 92 12.880 -2.440 5.310 1.00 0.00 O ATOM 1348 CB ALA A 92 13.055 0.363 7.311 1.00 0.00 C ATOM 0 H ALA A 92 14.697 -1.194 5.091 1.00 0.00 H new ATOM 0 HA ALA A 92 14.244 -1.337 7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.281 0.159 8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.772 1.072 7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.599 0.786 6.416 1.00 0.00 H new ATOM 1354 N VAL A 93 11.781 -2.289 7.269 1.00 0.00 N ATOM 1355 CA VAL A 93 10.755 -3.251 6.884 1.00 0.00 C ATOM 1356 C VAL A 93 9.604 -2.541 6.182 1.00 0.00 C ATOM 1357 O VAL A 93 9.282 -1.403 6.508 1.00 0.00 O ATOM 1358 CB VAL A 93 10.209 -4.025 8.099 1.00 0.00 C ATOM 1359 CG1 VAL A 93 9.316 -5.168 7.644 1.00 0.00 C ATOM 1360 CG2 VAL A 93 11.352 -4.544 8.957 1.00 0.00 C ATOM 0 H VAL A 93 11.671 -1.905 8.207 1.00 0.00 H new ATOM 0 HA VAL A 93 11.221 -3.966 6.205 1.00 0.00 H new ATOM 0 HB VAL A 93 9.610 -3.343 8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.939 -5.704 8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.478 -4.770 7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.890 -5.851 7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.948 -5.088 9.811 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.978 -5.211 8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.951 -3.705 9.312 1.00 0.00 H new ATOM 1370 N TYR A 94 8.996 -3.206 5.207 1.00 0.00 N ATOM 1371 CA TYR A 94 7.894 -2.608 4.463 1.00 0.00 C ATOM 1372 C TYR A 94 6.655 -3.497 4.488 1.00 0.00 C ATOM 1373 O TYR A 94 6.723 -4.685 4.181 1.00 0.00 O ATOM 1374 CB TYR A 94 8.318 -2.333 3.018 1.00 0.00 C ATOM 1375 CG TYR A 94 9.326 -1.214 2.887 1.00 0.00 C ATOM 1376 CD1 TYR A 94 10.623 -1.359 3.368 1.00 0.00 C ATOM 1377 CD2 TYR A 94 8.983 -0.010 2.285 1.00 0.00 C ATOM 1378 CE1 TYR A 94 11.546 -0.338 3.253 1.00 0.00 C ATOM 1379 CE2 TYR A 94 9.903 1.017 2.167 1.00 0.00 C ATOM 1380 CZ TYR A 94 11.181 0.847 2.653 1.00 0.00 C ATOM 1381 OH TYR A 94 12.098 1.865 2.539 1.00 0.00 O ATOM 0 H TYR A 94 9.244 -4.151 4.915 1.00 0.00 H new ATOM 0 HA TYR A 94 7.638 -1.665 4.947 1.00 0.00 H new ATOM 0 HB2 TYR A 94 8.740 -3.243 2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.434 -2.086 2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 94 10.913 -2.286 3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.982 0.127 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.549 -0.468 3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.621 1.947 1.696 1.00 0.00 H new ATOM 0 HH TYR A 94 11.748 2.554 1.936 1.00 0.00 H new ATOM 1391 N TYR A 95 5.524 -2.903 4.854 1.00 0.00 N ATOM 1392 CA TYR A 95 4.262 -3.630 4.916 1.00 0.00 C ATOM 1393 C TYR A 95 3.224 -2.996 3.996 1.00 0.00 C ATOM 1394 O TYR A 95 3.058 -1.778 3.980 1.00 0.00 O ATOM 1395 CB TYR A 95 3.710 -3.651 6.346 1.00 0.00 C ATOM 1396 CG TYR A 95 4.764 -3.724 7.428 1.00 0.00 C ATOM 1397 CD1 TYR A 95 5.311 -2.567 7.973 1.00 0.00 C ATOM 1398 CD2 TYR A 95 5.201 -4.947 7.914 1.00 0.00 C ATOM 1399 CE1 TYR A 95 6.266 -2.633 8.970 1.00 0.00 C ATOM 1400 CE2 TYR A 95 6.153 -5.021 8.912 1.00 0.00 C ATOM 1401 CZ TYR A 95 6.683 -3.862 9.435 1.00 0.00 C ATOM 1402 OH TYR A 95 7.631 -3.930 10.430 1.00 0.00 O ATOM 0 H TYR A 95 5.456 -1.919 5.112 1.00 0.00 H new ATOM 0 HA TYR A 95 4.460 -4.651 4.591 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.109 -2.755 6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.041 -4.505 6.451 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.985 -1.603 7.612 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.790 -5.858 7.505 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.683 -1.726 9.383 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.480 -5.982 9.280 1.00 0.00 H new ATOM 0 HH TYR A 95 7.452 -3.238 11.101 1.00 0.00 H new ATOM 1412 N CYS A 96 2.507 -3.829 3.258 1.00 0.00 N ATOM 1413 CA CYS A 96 1.463 -3.357 2.366 1.00 0.00 C ATOM 1414 C CYS A 96 0.115 -3.653 2.995 1.00 0.00 C ATOM 1415 O CYS A 96 -0.055 -4.694 3.618 1.00 0.00 O ATOM 1416 CB CYS A 96 1.575 -4.037 0.999 1.00 0.00 C ATOM 1417 SG CYS A 96 0.042 -4.856 0.443 1.00 0.00 S ATOM 0 H CYS A 96 2.631 -4.841 3.261 1.00 0.00 H new ATOM 0 HA CYS A 96 1.571 -2.283 2.214 1.00 0.00 H new ATOM 0 HB2 CYS A 96 1.865 -3.292 0.258 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.375 -4.776 1.038 1.00 0.00 H new ATOM 1422 N ALA A 97 -0.826 -2.731 2.854 1.00 0.00 N ATOM 1423 CA ALA A 97 -2.153 -2.908 3.442 1.00 0.00 C ATOM 1424 C ALA A 97 -3.192 -1.991 2.812 1.00 0.00 C ATOM 1425 O ALA A 97 -2.857 -1.057 2.083 1.00 0.00 O ATOM 1426 CB ALA A 97 -2.101 -2.682 4.941 1.00 0.00 C ATOM 0 H ALA A 97 -0.701 -1.858 2.342 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.458 -3.935 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.096 -2.817 5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.414 -3.397 5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.755 -1.669 5.144 1.00 0.00 H new ATOM 1432 N LYS A 98 -4.460 -2.276 3.103 1.00 0.00 N ATOM 1433 CA LYS A 98 -5.567 -1.490 2.570 1.00 0.00 C ATOM 1434 C LYS A 98 -5.802 -0.241 3.416 1.00 0.00 C ATOM 1435 O LYS A 98 -5.729 -0.286 4.644 1.00 0.00 O ATOM 1436 CB LYS A 98 -6.839 -2.344 2.517 1.00 0.00 C ATOM 1437 CG LYS A 98 -8.130 -1.538 2.502 1.00 0.00 C ATOM 1438 CD LYS A 98 -9.273 -2.308 3.140 1.00 0.00 C ATOM 1439 CE LYS A 98 -10.559 -1.497 3.141 1.00 0.00 C ATOM 1440 NZ LYS A 98 -11.102 -1.316 4.517 1.00 0.00 N ATOM 0 H LYS A 98 -4.745 -3.047 3.706 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.310 -1.173 1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.805 -2.972 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.851 -3.012 3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.980 -0.599 3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.390 -1.284 1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.431 -3.241 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.008 -2.573 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.373 -0.521 2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.303 -1.996 2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.979 -0.758 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.304 -2.246 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.403 -0.817 5.103 1.00 0.00 H new ATOM 1454 N TYR A 99 -6.075 0.875 2.744 1.00 0.00 N ATOM 1455 CA TYR A 99 -6.307 2.147 3.420 1.00 0.00 C ATOM 1456 C TYR A 99 -7.752 2.264 3.896 1.00 0.00 C ATOM 1457 O TYR A 99 -8.675 1.784 3.237 1.00 0.00 O ATOM 1458 CB TYR A 99 -5.984 3.307 2.475 1.00 0.00 C ATOM 1459 CG TYR A 99 -5.035 4.330 3.058 1.00 0.00 C ATOM 1460 CD1 TYR A 99 -3.704 4.014 3.298 1.00 0.00 C ATOM 1461 CD2 TYR A 99 -5.471 5.613 3.360 1.00 0.00 C ATOM 1462 CE1 TYR A 99 -2.834 4.949 3.825 1.00 0.00 C ATOM 1463 CE2 TYR A 99 -4.607 6.554 3.887 1.00 0.00 C ATOM 1464 CZ TYR A 99 -3.291 6.217 4.118 1.00 0.00 C ATOM 1465 OH TYR A 99 -2.427 7.152 4.641 1.00 0.00 O ATOM 0 H TYR A 99 -6.141 0.923 1.727 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.653 2.189 4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.551 2.906 1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -6.913 3.805 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.343 3.022 3.069 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.502 5.880 3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.802 4.688 4.007 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.961 7.548 4.117 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.630 7.291 5.590 1.00 0.00 H new ATOM 1475 N SER A 100 -7.936 2.908 5.045 1.00 0.00 N ATOM 1476 CA SER A 100 -9.264 3.095 5.617 1.00 0.00 C ATOM 1477 C SER A 100 -9.476 4.548 6.038 1.00 0.00 C ATOM 1478 O SER A 100 -10.595 5.059 5.992 1.00 0.00 O ATOM 1479 CB SER A 100 -9.458 2.171 6.821 1.00 0.00 C ATOM 1480 OG SER A 100 -10.679 1.459 6.728 1.00 0.00 O ATOM 0 H SER A 100 -7.180 3.310 5.599 1.00 0.00 H new ATOM 0 HA SER A 100 -10.000 2.845 4.853 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.627 1.468 6.881 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.445 2.758 7.739 1.00 0.00 H new ATOM 0 HG SER A 100 -10.777 0.875 7.509 1.00 0.00 H new ATOM 1486 N GLY A 101 -8.395 5.206 6.447 1.00 0.00 N ATOM 1487 CA GLY A 101 -8.485 6.592 6.869 1.00 0.00 C ATOM 1488 C GLY A 101 -7.235 7.381 6.536 1.00 0.00 C ATOM 1489 O GLY A 101 -7.096 7.898 5.427 1.00 0.00 O ATOM 0 H GLY A 101 -7.459 4.804 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.345 7.060 6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -8.660 6.631 7.944 1.00 0.00 H new ATOM 1493 N GLY A 102 -6.323 7.477 7.498 1.00 0.00 N ATOM 1494 CA GLY A 102 -5.089 8.212 7.284 1.00 0.00 C ATOM 1495 C GLY A 102 -3.863 7.423 7.698 1.00 0.00 C ATOM 1496 O GLY A 102 -2.739 7.780 7.348 1.00 0.00 O ATOM 0 H GLY A 102 -6.416 7.058 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.007 8.478 6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.124 9.145 7.847 1.00 0.00 H new ATOM 1500 N ALA A 103 -4.081 6.345 8.444 1.00 0.00 N ATOM 1501 CA ALA A 103 -2.988 5.499 8.906 1.00 0.00 C ATOM 1502 C ALA A 103 -3.224 4.045 8.513 1.00 0.00 C ATOM 1503 O ALA A 103 -4.292 3.490 8.774 1.00 0.00 O ATOM 1504 CB ALA A 103 -2.828 5.622 10.413 1.00 0.00 C ATOM 0 H ALA A 103 -5.007 6.037 8.742 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.068 5.835 8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.008 4.985 10.745 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.610 6.658 10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.751 5.311 10.903 1.00 0.00 H new ATOM 1510 N LEU A 104 -2.227 3.433 7.880 1.00 0.00 N ATOM 1511 CA LEU A 104 -2.342 2.045 7.452 1.00 0.00 C ATOM 1512 C LEU A 104 -2.224 1.094 8.638 1.00 0.00 C ATOM 1513 O LEU A 104 -1.534 1.385 9.616 1.00 0.00 O ATOM 1514 CB LEU A 104 -1.282 1.709 6.398 1.00 0.00 C ATOM 1515 CG LEU A 104 -1.647 0.542 5.473 1.00 0.00 C ATOM 1516 CD1 LEU A 104 -3.008 0.768 4.844 1.00 0.00 C ATOM 1517 CD2 LEU A 104 -0.602 0.354 4.387 1.00 0.00 C ATOM 0 H LEU A 104 -1.336 3.875 7.654 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.328 1.918 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.101 2.595 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.346 1.474 6.905 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.680 -0.363 6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.251 -0.070 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.762 0.848 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.991 1.689 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.888 -0.481 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.531 1.262 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.365 0.145 4.845 1.00 0.00 H new ATOM 1529 N ASP A 105 -2.905 -0.044 8.541 1.00 0.00 N ATOM 1530 CA ASP A 105 -2.884 -1.045 9.603 1.00 0.00 C ATOM 1531 C ASP A 105 -1.743 -2.035 9.394 1.00 0.00 C ATOM 1532 O ASP A 105 -1.127 -2.498 10.355 1.00 0.00 O ATOM 1533 CB ASP A 105 -4.222 -1.786 9.656 1.00 0.00 C ATOM 1534 CG ASP A 105 -4.841 -1.767 11.040 1.00 0.00 C ATOM 1535 OD1 ASP A 105 -4.084 -1.653 12.028 1.00 0.00 O ATOM 1536 OD2 ASP A 105 -6.082 -1.868 11.137 1.00 0.00 O ATOM 0 H ASP A 105 -3.479 -0.296 7.737 1.00 0.00 H new ATOM 0 HA ASP A 105 -2.723 -0.533 10.552 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.913 -1.332 8.946 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.074 -2.819 9.342 1.00 0.00 H new ATOM 1541 N ALA A 106 -1.464 -2.345 8.130 1.00 0.00 N ATOM 1542 CA ALA A 106 -0.389 -3.269 7.777 1.00 0.00 C ATOM 1543 C ALA A 106 -0.643 -4.677 8.313 1.00 0.00 C ATOM 1544 O ALA A 106 -0.226 -5.013 9.422 1.00 0.00 O ATOM 1545 CB ALA A 106 0.944 -2.739 8.281 1.00 0.00 C ATOM 0 H ALA A 106 -1.971 -1.967 7.329 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.359 -3.339 6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.738 -3.436 8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.144 -1.768 7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.907 -2.632 9.365 1.00 0.00 H new ATOM 1551 N TRP A 107 -1.317 -5.499 7.509 1.00 0.00 N ATOM 1552 CA TRP A 107 -1.610 -6.878 7.897 1.00 0.00 C ATOM 1553 C TRP A 107 -0.609 -7.834 7.266 1.00 0.00 C ATOM 1554 O TRP A 107 -0.469 -8.981 7.690 1.00 0.00 O ATOM 1555 CB TRP A 107 -3.041 -7.271 7.505 1.00 0.00 C ATOM 1556 CG TRP A 107 -4.027 -6.156 7.659 1.00 0.00 C ATOM 1557 CD1 TRP A 107 -4.196 -5.368 8.754 1.00 0.00 C ATOM 1558 CD2 TRP A 107 -4.973 -5.703 6.687 1.00 0.00 C ATOM 1559 NE1 TRP A 107 -5.191 -4.451 8.528 1.00 0.00 N ATOM 1560 CE2 TRP A 107 -5.683 -4.634 7.264 1.00 0.00 C ATOM 1561 CE3 TRP A 107 -5.288 -6.094 5.384 1.00 0.00 C ATOM 1562 CZ2 TRP A 107 -6.686 -3.955 6.581 1.00 0.00 C ATOM 1563 CZ3 TRP A 107 -6.280 -5.417 4.709 1.00 0.00 C ATOM 1564 CH2 TRP A 107 -6.967 -4.359 5.307 1.00 0.00 C ATOM 0 H TRP A 107 -1.669 -5.235 6.589 1.00 0.00 H new ATOM 0 HA TRP A 107 -1.524 -6.946 8.982 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -3.046 -7.610 6.469 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -3.359 -8.114 8.118 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -3.629 -5.452 9.669 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.512 -3.748 9.193 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -4.763 -6.913 4.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -7.223 -3.138 7.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.530 -5.710 3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -7.738 -3.848 4.749 1.00 0.00 H new ATOM 1575 N GLY A 108 0.084 -7.340 6.251 1.00 0.00 N ATOM 1576 CA GLY A 108 1.081 -8.137 5.555 1.00 0.00 C ATOM 1577 C GLY A 108 2.106 -8.755 6.491 1.00 0.00 C ATOM 1578 O GLY A 108 2.145 -8.439 7.680 1.00 0.00 O ATOM 0 H GLY A 108 -0.026 -6.392 5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.581 -8.930 4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.594 -7.511 4.826 1.00 0.00 H new ATOM 1582 N GLN A 109 2.934 -9.644 5.949 1.00 0.00 N ATOM 1583 CA GLN A 109 3.963 -10.319 6.736 1.00 0.00 C ATOM 1584 C GLN A 109 5.107 -9.373 7.084 1.00 0.00 C ATOM 1585 O GLN A 109 5.679 -9.449 8.172 1.00 0.00 O ATOM 1586 CB GLN A 109 4.506 -11.528 5.972 1.00 0.00 C ATOM 1587 CG GLN A 109 4.632 -12.778 6.824 1.00 0.00 C ATOM 1588 CD GLN A 109 6.076 -13.171 7.069 1.00 0.00 C ATOM 1589 OE1 GLN A 109 6.475 -13.438 8.202 1.00 0.00 O ATOM 1590 NE2 GLN A 109 6.868 -13.207 6.004 1.00 0.00 N ATOM 0 H GLN A 109 2.913 -9.914 4.966 1.00 0.00 H new ATOM 0 HA GLN A 109 3.503 -10.654 7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.850 -11.738 5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.484 -11.278 5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.136 -12.613 7.781 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.113 -13.602 6.334 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.495 -12.978 5.083 1.00 0.00 H new ATOM 0 HE22 GLN A 109 7.850 -13.464 6.107 1.00 0.00 H new ATOM 1599 N GLY A 110 5.440 -8.485 6.153 1.00 0.00 N ATOM 1600 CA GLY A 110 6.519 -7.543 6.379 1.00 0.00 C ATOM 1601 C GLY A 110 7.811 -7.966 5.710 1.00 0.00 C ATOM 1602 O GLY A 110 8.450 -8.931 6.130 1.00 0.00 O ATOM 0 H GLY A 110 4.981 -8.401 5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.225 -6.562 6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.686 -7.438 7.451 1.00 0.00 H new ATOM 1606 N THR A 111 8.196 -7.241 4.666 1.00 0.00 N ATOM 1607 CA THR A 111 9.419 -7.542 3.933 1.00 0.00 C ATOM 1608 C THR A 111 10.607 -6.786 4.520 1.00 0.00 C ATOM 1609 O THR A 111 10.538 -5.577 4.738 1.00 0.00 O ATOM 1610 CB THR A 111 9.280 -7.188 2.440 1.00 0.00 C ATOM 1611 OG1 THR A 111 10.533 -7.371 1.778 1.00 0.00 O ATOM 1612 CG2 THR A 111 8.815 -5.750 2.261 1.00 0.00 C ATOM 0 H THR A 111 7.677 -6.439 4.308 1.00 0.00 H new ATOM 0 HA THR A 111 9.592 -8.614 4.027 1.00 0.00 H new ATOM 0 HB THR A 111 8.533 -7.850 2.002 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.602 -6.744 1.028 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.725 -5.526 1.198 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.846 -5.618 2.743 1.00 0.00 H new ATOM 0 HG23 THR A 111 9.540 -5.074 2.714 1.00 0.00 H new ATOM 1620 N GLN A 112 11.693 -7.504 4.779 1.00 0.00 N ATOM 1621 CA GLN A 112 12.891 -6.898 5.346 1.00 0.00 C ATOM 1622 C GLN A 112 13.831 -6.399 4.249 1.00 0.00 C ATOM 1623 O GLN A 112 14.509 -7.189 3.592 1.00 0.00 O ATOM 1624 CB GLN A 112 13.620 -7.902 6.242 1.00 0.00 C ATOM 1625 CG GLN A 112 14.823 -7.314 6.961 1.00 0.00 C ATOM 1626 CD GLN A 112 14.476 -6.770 8.334 1.00 0.00 C ATOM 1627 OE1 GLN A 112 13.879 -7.465 9.157 1.00 0.00 O ATOM 1628 NE2 GLN A 112 14.851 -5.523 8.588 1.00 0.00 N ATOM 0 H GLN A 112 11.769 -8.506 4.605 1.00 0.00 H new ATOM 0 HA GLN A 112 12.582 -6.042 5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 112 12.920 -8.292 6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 112 13.947 -8.747 5.636 1.00 0.00 H new ATOM 0 HG2 GLN A 112 15.591 -8.081 7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 112 15.248 -6.514 6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 112 15.344 -4.984 7.876 1.00 0.00 H new ATOM 0 HE22 GLN A 112 14.647 -5.104 9.495 1.00 0.00 H new ATOM 1637 N VAL A 113 13.869 -5.083 4.061 1.00 0.00 N ATOM 1638 CA VAL A 113 14.728 -4.475 3.051 1.00 0.00 C ATOM 1639 C VAL A 113 15.901 -3.753 3.702 1.00 0.00 C ATOM 1640 O VAL A 113 15.736 -3.083 4.722 1.00 0.00 O ATOM 1641 CB VAL A 113 13.946 -3.482 2.172 1.00 0.00 C ATOM 1642 CG1 VAL A 113 14.868 -2.828 1.154 1.00 0.00 C ATOM 1643 CG2 VAL A 113 12.787 -4.181 1.479 1.00 0.00 C ATOM 0 H VAL A 113 13.313 -4.416 4.597 1.00 0.00 H new ATOM 0 HA VAL A 113 15.103 -5.281 2.421 1.00 0.00 H new ATOM 0 HB VAL A 113 13.539 -2.701 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.297 -2.130 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.661 -2.291 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 113 15.307 -3.595 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 113 12.246 -3.464 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.170 -4.984 0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 113 12.113 -4.597 2.228 1.00 0.00 H new ATOM 1653 N THR A 114 17.087 -3.897 3.117 1.00 0.00 N ATOM 1654 CA THR A 114 18.279 -3.256 3.662 1.00 0.00 C ATOM 1655 C THR A 114 19.153 -2.640 2.572 1.00 0.00 C ATOM 1656 O THR A 114 19.174 -3.105 1.430 1.00 0.00 O ATOM 1657 CB THR A 114 19.125 -4.251 4.477 1.00 0.00 C ATOM 1658 OG1 THR A 114 18.283 -5.013 5.352 1.00 0.00 O ATOM 1659 CG2 THR A 114 20.180 -3.521 5.293 1.00 0.00 C ATOM 0 H THR A 114 17.247 -4.447 2.273 1.00 0.00 H new ATOM 0 HA THR A 114 17.923 -2.459 4.314 1.00 0.00 H new ATOM 0 HB THR A 114 19.625 -4.923 3.780 1.00 0.00 H new ATOM 0 HG1 THR A 114 18.830 -5.644 5.865 1.00 0.00 H new ATOM 0 HG21 THR A 114 20.766 -4.244 5.861 1.00 0.00 H new ATOM 0 HG22 THR A 114 20.838 -2.966 4.624 1.00 0.00 H new ATOM 0 HG23 THR A 114 19.694 -2.828 5.980 1.00 0.00 H new ATOM 1667 N VAL A 115 19.883 -1.594 2.949 1.00 0.00 N ATOM 1668 CA VAL A 115 20.778 -0.901 2.030 1.00 0.00 C ATOM 1669 C VAL A 115 22.183 -0.824 2.615 1.00 0.00 C ATOM 1670 O VAL A 115 22.423 -0.101 3.582 1.00 0.00 O ATOM 1671 CB VAL A 115 20.286 0.527 1.728 1.00 0.00 C ATOM 1672 CG1 VAL A 115 21.003 1.099 0.516 1.00 0.00 C ATOM 1673 CG2 VAL A 115 18.778 0.541 1.524 1.00 0.00 C ATOM 0 H VAL A 115 19.871 -1.206 3.892 1.00 0.00 H new ATOM 0 HA VAL A 115 20.791 -1.471 1.101 1.00 0.00 H new ATOM 0 HB VAL A 115 20.519 1.158 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 115 20.640 2.108 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.075 1.130 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 115 20.809 0.469 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 115 18.449 1.558 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 115 18.518 -0.107 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.285 0.181 2.427 1.00 0.00 H new ATOM 1683 N SER A 116 23.106 -1.575 2.028 1.00 0.00 N ATOM 1684 CA SER A 116 24.486 -1.595 2.499 1.00 0.00 C ATOM 1685 C SER A 116 25.451 -1.146 1.401 1.00 0.00 C ATOM 1686 O SER A 116 25.553 0.046 1.108 1.00 0.00 O ATOM 1687 CB SER A 116 24.849 -2.996 2.998 1.00 0.00 C ATOM 1688 OG SER A 116 26.218 -3.073 3.355 1.00 0.00 O ATOM 0 H SER A 116 22.925 -2.178 1.226 1.00 0.00 H new ATOM 0 HA SER A 116 24.576 -0.891 3.327 1.00 0.00 H new ATOM 0 HB2 SER A 116 24.231 -3.250 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 116 24.631 -3.729 2.222 1.00 0.00 H new ATOM 0 HG SER A 116 26.423 -3.977 3.672 1.00 0.00 H new ATOM 1694 N SER A 117 26.158 -2.101 0.798 1.00 0.00 N ATOM 1695 CA SER A 117 27.114 -1.797 -0.263 1.00 0.00 C ATOM 1696 C SER A 117 27.657 -3.080 -0.884 1.00 0.00 C ATOM 1697 O SER A 117 28.865 -3.323 -0.873 1.00 0.00 O ATOM 1698 CB SER A 117 28.268 -0.956 0.288 1.00 0.00 C ATOM 1699 OG SER A 117 28.781 -1.515 1.485 1.00 0.00 O ATOM 0 H SER A 117 26.086 -3.092 1.027 1.00 0.00 H new ATOM 0 HA SER A 117 26.596 -1.229 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 117 29.062 -0.891 -0.456 1.00 0.00 H new ATOM 0 HB3 SER A 117 27.923 0.061 0.476 1.00 0.00 H new ATOM 0 HG SER A 117 29.111 -2.421 1.308 1.00 0.00 H new ATOM 1705 N GLN A 118 26.754 -3.899 -1.420 1.00 0.00 N ATOM 1706 CA GLN A 118 27.128 -5.166 -2.047 1.00 0.00 C ATOM 1707 C GLN A 118 27.731 -6.127 -1.025 1.00 0.00 C ATOM 1708 O GLN A 118 28.216 -5.710 0.026 1.00 0.00 O ATOM 1709 CB GLN A 118 28.120 -4.932 -3.190 1.00 0.00 C ATOM 1710 CG GLN A 118 27.617 -3.960 -4.245 1.00 0.00 C ATOM 1711 CD GLN A 118 27.133 -4.661 -5.498 1.00 0.00 C ATOM 1712 OE1 GLN A 118 26.051 -5.249 -5.516 1.00 0.00 O ATOM 1713 NE2 GLN A 118 27.933 -4.602 -6.556 1.00 0.00 N ATOM 0 H GLN A 118 25.752 -3.706 -1.433 1.00 0.00 H new ATOM 0 HA GLN A 118 26.221 -5.615 -2.452 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.055 -4.554 -2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 118 28.345 -5.887 -3.666 1.00 0.00 H new ATOM 0 HG2 GLN A 118 26.804 -3.366 -3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.417 -3.267 -4.506 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.821 -4.104 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.660 -5.055 -7.428 1.00 0.00 H new ATOM 1722 N SER A 119 27.696 -7.417 -1.344 1.00 0.00 N ATOM 1723 CA SER A 119 28.237 -8.438 -0.455 1.00 0.00 C ATOM 1724 C SER A 119 28.797 -9.610 -1.254 1.00 0.00 C ATOM 1725 O SER A 119 29.730 -10.281 -0.814 1.00 0.00 O ATOM 1726 CB SER A 119 27.157 -8.929 0.509 1.00 0.00 C ATOM 1727 OG SER A 119 26.438 -10.019 -0.041 1.00 0.00 O ATOM 0 H SER A 119 27.299 -7.779 -2.211 1.00 0.00 H new ATOM 0 HA SER A 119 29.049 -7.993 0.120 1.00 0.00 H new ATOM 0 HB2 SER A 119 27.616 -9.230 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 119 26.470 -8.114 0.736 1.00 0.00 H new ATOM 0 HG SER A 119 25.755 -10.315 0.596 1.00 0.00 H new ATOM 1733 N GLU A 120 28.216 -9.847 -2.429 1.00 0.00 N ATOM 1734 CA GLU A 120 28.647 -10.936 -3.303 1.00 0.00 C ATOM 1735 C GLU A 120 28.476 -12.289 -2.617 1.00 0.00 C ATOM 1736 O GLU A 120 27.460 -12.961 -2.797 1.00 0.00 O ATOM 1737 CB GLU A 120 30.106 -10.738 -3.726 1.00 0.00 C ATOM 1738 CG GLU A 120 30.349 -9.444 -4.486 1.00 0.00 C ATOM 1739 CD GLU A 120 31.728 -9.386 -5.114 1.00 0.00 C ATOM 1740 OE1 GLU A 120 32.256 -10.454 -5.488 1.00 0.00 O ATOM 1741 OE2 GLU A 120 32.279 -8.271 -5.234 1.00 0.00 O ATOM 0 H GLU A 120 27.441 -9.296 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 120 28.018 -10.922 -4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 120 30.738 -10.752 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 120 30.412 -11.578 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 120 29.594 -9.338 -5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 120 30.227 -8.600 -3.807 1.00 0.00 H new ATOM 1748 N GLN A 121 29.474 -12.683 -1.830 1.00 0.00 N ATOM 1749 CA GLN A 121 29.430 -13.957 -1.117 1.00 0.00 C ATOM 1750 C GLN A 121 28.226 -14.011 -0.182 1.00 0.00 C ATOM 1751 O GLN A 121 27.904 -13.030 0.488 1.00 0.00 O ATOM 1752 CB GLN A 121 30.717 -14.171 -0.316 1.00 0.00 C ATOM 1753 CG GLN A 121 31.943 -13.516 -0.933 1.00 0.00 C ATOM 1754 CD GLN A 121 32.638 -12.565 0.023 1.00 0.00 C ATOM 1755 OE1 GLN A 121 33.863 -12.581 0.153 1.00 0.00 O ATOM 1756 NE2 GLN A 121 31.858 -11.728 0.698 1.00 0.00 N ATOM 0 H GLN A 121 30.322 -12.139 -1.670 1.00 0.00 H new ATOM 0 HA GLN A 121 29.337 -14.752 -1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 121 30.576 -13.779 0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 121 30.899 -15.241 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 121 32.645 -14.289 -1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 121 31.647 -12.972 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 121 30.848 -11.749 0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 121 32.269 -11.065 1.355 1.00 0.00 H new ATOM 1765 N LYS A 122 27.564 -15.163 -0.142 1.00 0.00 N ATOM 1766 CA LYS A 122 26.395 -15.341 0.711 1.00 0.00 C ATOM 1767 C LYS A 122 26.594 -16.503 1.679 1.00 0.00 C ATOM 1768 O LYS A 122 26.740 -17.652 1.262 1.00 0.00 O ATOM 1769 CB LYS A 122 25.146 -15.578 -0.141 1.00 0.00 C ATOM 1770 CG LYS A 122 23.968 -14.697 0.247 1.00 0.00 C ATOM 1771 CD LYS A 122 24.214 -13.243 -0.125 1.00 0.00 C ATOM 1772 CE LYS A 122 23.050 -12.358 0.287 1.00 0.00 C ATOM 1773 NZ LYS A 122 21.787 -12.746 -0.400 1.00 0.00 N ATOM 0 H LYS A 122 27.817 -15.986 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 122 26.262 -14.429 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 122 25.392 -15.401 -1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 122 24.851 -16.624 -0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 122 23.066 -15.054 -0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 122 23.792 -14.775 1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 122 25.127 -12.893 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 122 24.370 -13.163 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 122 22.910 -12.421 1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 122 23.284 -11.319 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 21.071 -12.006 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 21.966 -12.859 -1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 21.440 -13.645 -0.008 1.00 0.00 H new ATOM 1787 N LEU A 123 26.595 -16.190 2.974 1.00 0.00 N ATOM 1788 CA LEU A 123 26.773 -17.201 4.013 1.00 0.00 C ATOM 1789 C LEU A 123 28.062 -17.990 3.801 1.00 0.00 C ATOM 1790 O LEU A 123 28.033 -19.136 3.352 1.00 0.00 O ATOM 1791 CB LEU A 123 25.574 -18.153 4.039 1.00 0.00 C ATOM 1792 CG LEU A 123 25.452 -19.005 5.304 1.00 0.00 C ATOM 1793 CD1 LEU A 123 24.106 -18.777 5.972 1.00 0.00 C ATOM 1794 CD2 LEU A 123 25.643 -20.477 4.973 1.00 0.00 C ATOM 0 H LEU A 123 26.474 -15.241 3.328 1.00 0.00 H new ATOM 0 HA LEU A 123 26.842 -16.687 4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 123 24.662 -17.568 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 123 25.637 -18.817 3.177 1.00 0.00 H new ATOM 0 HG LEU A 123 26.235 -18.705 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.037 -19.391 6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.008 -17.726 6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 123 23.307 -19.051 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 123 25.553 -21.069 5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 123 24.882 -20.791 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 123 26.631 -20.627 4.539 1.00 0.00 H new ATOM 1806 N ILE A 124 29.192 -17.368 4.131 1.00 0.00 N ATOM 1807 CA ILE A 124 30.492 -18.012 3.979 1.00 0.00 C ATOM 1808 C ILE A 124 31.611 -17.137 4.537 1.00 0.00 C ATOM 1809 O ILE A 124 31.533 -15.908 4.493 1.00 0.00 O ATOM 1810 CB ILE A 124 30.791 -18.332 2.501 1.00 0.00 C ATOM 1811 CG1 ILE A 124 32.084 -19.141 2.379 1.00 0.00 C ATOM 1812 CG2 ILE A 124 30.880 -17.050 1.685 1.00 0.00 C ATOM 1813 CD1 ILE A 124 32.134 -20.023 1.150 1.00 0.00 C ATOM 0 H ILE A 124 29.232 -16.420 4.505 1.00 0.00 H new ATOM 0 HA ILE A 124 30.450 -18.944 4.543 1.00 0.00 H new ATOM 0 HB ILE A 124 29.972 -18.933 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 124 32.931 -18.455 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 124 32.199 -19.763 3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 124 31.092 -17.295 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 124 29.933 -16.513 1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 124 31.679 -16.422 2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 124 33.079 -20.566 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 124 31.308 -20.733 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 124 32.051 -19.406 0.255 1.00 0.00 H new ATOM 1825 N SER A 125 32.652 -17.779 5.056 1.00 0.00 N ATOM 1826 CA SER A 125 33.792 -17.063 5.618 1.00 0.00 C ATOM 1827 C SER A 125 35.041 -17.291 4.772 1.00 0.00 C ATOM 1828 O SER A 125 35.496 -16.392 4.065 1.00 0.00 O ATOM 1829 CB SER A 125 34.048 -17.512 7.058 1.00 0.00 C ATOM 1830 OG SER A 125 34.408 -16.416 7.881 1.00 0.00 O ATOM 0 H SER A 125 32.730 -18.795 5.099 1.00 0.00 H new ATOM 0 HA SER A 125 33.559 -15.998 5.616 1.00 0.00 H new ATOM 0 HB2 SER A 125 33.154 -17.991 7.457 1.00 0.00 H new ATOM 0 HB3 SER A 125 34.843 -18.258 7.073 1.00 0.00 H new ATOM 0 HG SER A 125 34.564 -16.731 8.796 1.00 0.00 H new ATOM 1836 N GLU A 126 35.586 -18.501 4.846 1.00 0.00 N ATOM 1837 CA GLU A 126 36.780 -18.851 4.084 1.00 0.00 C ATOM 1838 C GLU A 126 36.450 -18.997 2.601 1.00 0.00 C ATOM 1839 O GLU A 126 35.313 -18.770 2.186 1.00 0.00 O ATOM 1840 CB GLU A 126 37.393 -20.149 4.618 1.00 0.00 C ATOM 1841 CG GLU A 126 36.369 -21.237 4.900 1.00 0.00 C ATOM 1842 CD GLU A 126 36.406 -21.712 6.339 1.00 0.00 C ATOM 1843 OE1 GLU A 126 35.758 -21.072 7.194 1.00 0.00 O ATOM 1844 OE2 GLU A 126 37.086 -22.724 6.613 1.00 0.00 O ATOM 0 H GLU A 126 35.220 -19.256 5.426 1.00 0.00 H new ATOM 0 HA GLU A 126 37.506 -18.046 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 126 38.118 -20.523 3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 126 37.941 -19.932 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 126 35.372 -20.861 4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 126 36.551 -22.083 4.237 1.00 0.00 H new ATOM 1851 N GLU A 127 37.451 -19.375 1.809 1.00 0.00 N ATOM 1852 CA GLU A 127 37.271 -19.547 0.371 1.00 0.00 C ATOM 1853 C GLU A 127 36.709 -18.275 -0.260 1.00 0.00 C ATOM 1854 O GLU A 127 36.770 -17.201 0.339 1.00 0.00 O ATOM 1855 CB GLU A 127 36.343 -20.732 0.087 1.00 0.00 C ATOM 1856 CG GLU A 127 36.761 -21.559 -1.120 1.00 0.00 C ATOM 1857 CD GLU A 127 35.607 -21.846 -2.061 1.00 0.00 C ATOM 1858 OE1 GLU A 127 34.630 -21.067 -2.060 1.00 0.00 O ATOM 1859 OE2 GLU A 127 35.680 -22.851 -2.800 1.00 0.00 O ATOM 0 H GLU A 127 38.396 -19.568 2.140 1.00 0.00 H new ATOM 0 HA GLU A 127 38.246 -19.750 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 127 36.312 -21.377 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 127 35.331 -20.360 -0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 127 37.545 -21.031 -1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 127 37.189 -22.502 -0.779 1.00 0.00 H new ATOM 1866 N ASP A 128 36.167 -18.406 -1.470 1.00 0.00 N ATOM 1867 CA ASP A 128 35.595 -17.269 -2.187 1.00 0.00 C ATOM 1868 C ASP A 128 36.666 -16.227 -2.496 1.00 0.00 C ATOM 1869 O ASP A 128 37.220 -15.603 -1.591 1.00 0.00 O ATOM 1870 CB ASP A 128 34.463 -16.635 -1.375 1.00 0.00 C ATOM 1871 CG ASP A 128 33.121 -16.739 -2.075 1.00 0.00 C ATOM 1872 OD1 ASP A 128 33.066 -16.482 -3.296 1.00 0.00 O ATOM 1873 OD2 ASP A 128 32.125 -17.079 -1.401 1.00 0.00 O ATOM 0 H ASP A 128 36.112 -19.291 -1.975 1.00 0.00 H new ATOM 0 HA ASP A 128 35.188 -17.636 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 128 34.401 -17.122 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 128 34.694 -15.586 -1.192 1.00 0.00 H new ATOM 1878 N LEU A 129 36.956 -16.049 -3.783 1.00 0.00 N ATOM 1879 CA LEU A 129 37.965 -15.088 -4.216 1.00 0.00 C ATOM 1880 C LEU A 129 39.325 -15.431 -3.610 1.00 0.00 C ATOM 1881 O LEU A 129 39.641 -16.603 -3.404 1.00 0.00 O ATOM 1882 CB LEU A 129 37.548 -13.666 -3.827 1.00 0.00 C ATOM 1883 CG LEU A 129 36.959 -12.827 -4.963 1.00 0.00 C ATOM 1884 CD1 LEU A 129 35.439 -12.867 -4.922 1.00 0.00 C ATOM 1885 CD2 LEU A 129 37.459 -11.393 -4.881 1.00 0.00 C ATOM 0 H LEU A 129 36.506 -16.558 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 129 38.049 -15.140 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 129 36.814 -13.727 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 129 38.418 -13.146 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 129 37.288 -13.251 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 129 35.037 -12.265 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 129 35.099 -13.897 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 129 35.090 -12.468 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 129 37.030 -10.811 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 129 37.160 -10.957 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 129 38.546 -11.382 -4.960 1.00 0.00 H new ATOM 1897 N ASN A 130 40.126 -14.404 -3.325 1.00 0.00 N ATOM 1898 CA ASN A 130 41.451 -14.601 -2.742 1.00 0.00 C ATOM 1899 C ASN A 130 42.347 -15.410 -3.675 1.00 0.00 C ATOM 1900 O ASN A 130 43.402 -15.897 -3.266 1.00 0.00 O ATOM 1901 CB ASN A 130 41.336 -15.303 -1.385 1.00 0.00 C ATOM 1902 CG ASN A 130 42.418 -14.873 -0.413 1.00 0.00 C ATOM 1903 OD1 ASN A 130 43.522 -14.506 -0.816 1.00 0.00 O ATOM 1904 ND2 ASN A 130 42.105 -14.918 0.877 1.00 0.00 N ATOM 0 H ASN A 130 39.879 -13.428 -3.489 1.00 0.00 H new ATOM 0 HA ASN A 130 41.905 -13.620 -2.599 1.00 0.00 H new ATOM 0 HB2 ASN A 130 40.358 -15.091 -0.952 1.00 0.00 H new ATOM 0 HB3 ASN A 130 41.392 -16.382 -1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 130 42.792 -14.642 1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 130 41.178 -15.229 1.166 1.00 0.00 H new ATOM 1911 N HIS A 131 41.918 -15.544 -4.930 1.00 0.00 N ATOM 1912 CA HIS A 131 42.672 -16.289 -5.937 1.00 0.00 C ATOM 1913 C HIS A 131 42.762 -17.770 -5.579 1.00 0.00 C ATOM 1914 O HIS A 131 43.211 -18.132 -4.490 1.00 0.00 O ATOM 1915 CB HIS A 131 44.077 -15.703 -6.101 1.00 0.00 C ATOM 1916 CG HIS A 131 44.350 -15.173 -7.476 1.00 0.00 C ATOM 1917 ND1 HIS A 131 45.127 -14.059 -7.713 1.00 0.00 N ATOM 1918 CD2 HIS A 131 43.948 -15.614 -8.693 1.00 0.00 C ATOM 1919 CE1 HIS A 131 45.190 -13.835 -9.014 1.00 0.00 C ATOM 1920 NE2 HIS A 131 44.483 -14.765 -9.630 1.00 0.00 N ATOM 0 H HIS A 131 41.046 -15.143 -5.275 1.00 0.00 H new ATOM 0 HA HIS A 131 42.138 -16.199 -6.883 1.00 0.00 H new ATOM 0 HB2 HIS A 131 44.213 -14.899 -5.377 1.00 0.00 H new ATOM 0 HB3 HIS A 131 44.812 -16.472 -5.865 1.00 0.00 H new ATOM 0 HD2 HIS A 131 43.323 -16.473 -8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 131 45.728 -13.029 -9.492 1.00 0.00 H new ATOM 0 HE2 HIS A 131 44.355 -14.840 -10.639 1.00 0.00 H new ATOM 1929 N HIS A 132 42.335 -18.625 -6.504 1.00 0.00 N ATOM 1930 CA HIS A 132 42.371 -20.067 -6.288 1.00 0.00 C ATOM 1931 C HIS A 132 43.801 -20.549 -6.076 1.00 0.00 C ATOM 1932 O HIS A 132 44.116 -21.163 -5.056 1.00 0.00 O ATOM 1933 CB HIS A 132 41.745 -20.799 -7.477 1.00 0.00 C ATOM 1934 CG HIS A 132 40.731 -21.827 -7.082 1.00 0.00 C ATOM 1935 ND1 HIS A 132 39.373 -21.643 -7.238 1.00 0.00 N ATOM 1936 CD2 HIS A 132 40.882 -23.058 -6.540 1.00 0.00 C ATOM 1937 CE1 HIS A 132 38.732 -22.716 -6.808 1.00 0.00 C ATOM 1938 NE2 HIS A 132 39.626 -23.589 -6.380 1.00 0.00 N ATOM 0 H HIS A 132 41.960 -18.344 -7.410 1.00 0.00 H new ATOM 0 HA HIS A 132 41.794 -20.289 -5.390 1.00 0.00 H new ATOM 0 HB2 HIS A 132 41.273 -20.069 -8.135 1.00 0.00 H new ATOM 0 HB3 HIS A 132 42.535 -21.282 -8.052 1.00 0.00 H new ATOM 0 HD2 HIS A 132 41.816 -23.534 -6.282 1.00 0.00 H new ATOM 0 HE1 HIS A 132 37.661 -22.855 -6.807 1.00 0.00 H new ATOM 0 HE2 HIS A 132 39.417 -24.509 -5.993 1.00 0.00 H new ATOM 1947 N HIS A 133 44.665 -20.265 -7.045 1.00 0.00 N ATOM 1948 CA HIS A 133 46.063 -20.669 -6.966 1.00 0.00 C ATOM 1949 C HIS A 133 46.974 -19.451 -6.848 1.00 0.00 C ATOM 1950 O HIS A 133 46.773 -18.445 -7.528 1.00 0.00 O ATOM 1951 CB HIS A 133 46.450 -21.493 -8.195 1.00 0.00 C ATOM 1952 CG HIS A 133 47.024 -22.836 -7.860 1.00 0.00 C ATOM 1953 ND1 HIS A 133 48.351 -23.027 -7.538 1.00 0.00 N ATOM 1954 CD2 HIS A 133 46.444 -24.059 -7.799 1.00 0.00 C ATOM 1955 CE1 HIS A 133 48.563 -24.309 -7.296 1.00 0.00 C ATOM 1956 NE2 HIS A 133 47.422 -24.955 -7.446 1.00 0.00 N ATOM 0 H HIS A 133 44.421 -19.756 -7.895 1.00 0.00 H new ATOM 0 HA HIS A 133 46.188 -21.283 -6.074 1.00 0.00 H new ATOM 0 HB2 HIS A 133 45.569 -21.630 -8.822 1.00 0.00 H new ATOM 0 HB3 HIS A 133 47.177 -20.933 -8.783 1.00 0.00 H new ATOM 0 HD2 HIS A 133 45.406 -24.286 -7.992 1.00 0.00 H new ATOM 0 HE1 HIS A 133 49.509 -24.752 -7.022 1.00 0.00 H new ATOM 0 HE2 HIS A 133 47.288 -25.958 -7.320 1.00 0.00 H new ATOM 1965 N HIS A 134 47.975 -19.551 -5.978 1.00 0.00 N ATOM 1966 CA HIS A 134 48.917 -18.458 -5.767 1.00 0.00 C ATOM 1967 C HIS A 134 50.111 -18.578 -6.707 1.00 0.00 C ATOM 1968 O HIS A 134 50.498 -17.609 -7.361 1.00 0.00 O ATOM 1969 CB HIS A 134 49.397 -18.446 -4.316 1.00 0.00 C ATOM 1970 CG HIS A 134 48.432 -17.798 -3.372 1.00 0.00 C ATOM 1971 ND1 HIS A 134 48.225 -16.435 -3.325 1.00 0.00 N ATOM 1972 CD2 HIS A 134 47.613 -18.333 -2.436 1.00 0.00 C ATOM 1973 CE1 HIS A 134 47.323 -16.160 -2.400 1.00 0.00 C ATOM 1974 NE2 HIS A 134 46.936 -17.294 -1.847 1.00 0.00 N ATOM 0 H HIS A 134 48.154 -20.378 -5.408 1.00 0.00 H new ATOM 0 HA HIS A 134 48.402 -17.522 -5.982 1.00 0.00 H new ATOM 0 HB2 HIS A 134 49.576 -19.471 -3.993 1.00 0.00 H new ATOM 0 HB3 HIS A 134 50.352 -17.923 -4.262 1.00 0.00 H new ATOM 0 HD2 HIS A 134 47.511 -19.381 -2.197 1.00 0.00 H new ATOM 0 HE1 HIS A 134 46.964 -15.175 -2.141 1.00 0.00 H new ATOM 0 HE2 HIS A 134 46.245 -17.384 -1.102 1.00 0.00 H new ATOM 1983 N HIS A 135 50.690 -19.775 -6.767 1.00 0.00 N ATOM 1984 CA HIS A 135 51.842 -20.034 -7.624 1.00 0.00 C ATOM 1985 C HIS A 135 53.000 -19.099 -7.283 1.00 0.00 C ATOM 1986 O HIS A 135 53.890 -18.923 -8.142 1.00 0.00 O ATOM 1987 CB HIS A 135 51.458 -19.875 -9.098 1.00 0.00 C ATOM 1988 CG HIS A 135 51.572 -21.143 -9.887 1.00 0.00 C ATOM 1989 ND1 HIS A 135 51.871 -21.167 -11.234 1.00 0.00 N ATOM 1990 CD2 HIS A 135 51.423 -22.438 -9.515 1.00 0.00 C ATOM 1991 CE1 HIS A 135 51.901 -22.419 -11.655 1.00 0.00 C ATOM 1992 NE2 HIS A 135 51.633 -23.210 -10.632 1.00 0.00 N ATOM 1993 OXT HIS A 135 53.006 -18.551 -6.160 1.00 0.00 O ATOM 0 H HIS A 135 50.378 -20.584 -6.229 1.00 0.00 H new ATOM 0 HA HIS A 135 52.166 -21.060 -7.450 1.00 0.00 H new ATOM 0 HB2 HIS A 135 50.433 -19.509 -9.160 1.00 0.00 H new ATOM 0 HB3 HIS A 135 52.096 -19.116 -9.551 1.00 0.00 H new ATOM 0 HD2 HIS A 135 51.184 -22.796 -8.525 1.00 0.00 H new ATOM 0 HE1 HIS A 135 52.109 -22.741 -12.665 1.00 0.00 H new ATOM 0 HE2 HIS A 135 51.589 -24.228 -10.666 1.00 0.00 H new TER 2002 HIS A 135