USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 925 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 40 HIS : no HD1:sc= -4.56! C(o=-13!,f=-19!) USER MOD Set 1.2: A 60 MET CE :methyl -141:sc= -8.03! (180deg=-8.48!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 62:sc= 0.142 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -2.23 K(o=-2.2,f=-5.4!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.57 K(o=-1.6,f=0.44) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.3!) USER MOD Single : A 21 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.2!) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.182 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0726 USER MOD Single : A 26 GLN : amide:sc= -0.0504 K(o=-0.05,f=-1.7) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -72:sc= 0.502 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.04 K(o=-1,f=-0.11) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 140:sc= -1.42 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.531 K(o=-0.53,f=-3.5!) USER MOD Single : A 70 MET CE :methyl -117:sc= -0.954 (180deg=-2.13!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -138:sc= 0.213 USER MOD Single : A 76 HIS : no HE2:sc= 0.00392 X(o=0.0039,f=-0.26) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.01 K(o=-1,f=-8.4!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 26:sc= -0.804 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= -0.0116 USER MOD Single : A 96 ASN : amide:sc= -0.582 K(o=-0.58,f=-3.4!) USER MOD Single : A 98 SER OG : rot 126:sc= -0.0342 USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= 0.419 (180deg=0.232) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.13) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= -0.0537 USER MOD Single : A 123 SER OG : rot 63:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.598 11.175 10.908 1.00 0.00 N ATOM 2 CA GLY A 1 15.940 10.182 9.904 1.00 0.00 C ATOM 3 C GLY A 1 16.721 9.021 10.525 1.00 0.00 C ATOM 4 O GLY A 1 16.128 8.065 11.023 1.00 0.00 O ATOM 0 H1 GLY A 1 15.069 11.952 10.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.011 10.735 11.646 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.469 11.550 11.336 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.031 9.804 9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.535 10.645 9.117 1.00 0.00 H new ATOM 8 N SER A 2 18.039 9.143 10.475 1.00 0.00 N ATOM 9 CA SER A 2 18.907 8.116 11.026 1.00 0.00 C ATOM 10 C SER A 2 18.742 6.814 10.241 1.00 0.00 C ATOM 11 O SER A 2 17.689 6.180 10.298 1.00 0.00 O ATOM 12 CB SER A 2 18.611 7.883 12.509 1.00 0.00 C ATOM 13 OG SER A 2 19.436 6.862 13.064 1.00 0.00 O ATOM 0 H SER A 2 18.527 9.937 10.061 1.00 0.00 H new ATOM 0 HA SER A 2 19.939 8.457 10.938 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.763 8.811 13.059 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.563 7.609 12.631 1.00 0.00 H new ATOM 0 HG SER A 2 19.218 6.744 14.012 1.00 0.00 H new ATOM 19 N SER A 3 19.797 6.454 9.525 1.00 0.00 N ATOM 20 CA SER A 3 19.782 5.238 8.729 1.00 0.00 C ATOM 21 C SER A 3 21.117 5.073 8.000 1.00 0.00 C ATOM 22 O SER A 3 21.715 6.056 7.563 1.00 0.00 O ATOM 23 CB SER A 3 18.627 5.252 7.725 1.00 0.00 C ATOM 24 OG SER A 3 17.620 4.300 8.057 1.00 0.00 O ATOM 0 H SER A 3 20.668 6.983 9.479 1.00 0.00 H new ATOM 0 HA SER A 3 19.635 4.392 9.400 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.187 6.249 7.692 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.011 5.040 6.727 1.00 0.00 H new ATOM 0 HG SER A 3 17.231 4.525 8.928 1.00 0.00 H new ATOM 30 N GLY A 4 21.544 3.824 7.891 1.00 0.00 N ATOM 31 CA GLY A 4 22.798 3.518 7.222 1.00 0.00 C ATOM 32 C GLY A 4 23.006 2.006 7.114 1.00 0.00 C ATOM 33 O GLY A 4 23.124 1.318 8.126 1.00 0.00 O ATOM 0 H GLY A 4 21.045 3.012 8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.801 3.961 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.626 3.964 7.772 1.00 0.00 H new ATOM 37 N SER A 5 23.046 1.534 5.876 1.00 0.00 N ATOM 38 CA SER A 5 23.238 0.116 5.623 1.00 0.00 C ATOM 39 C SER A 5 22.218 -0.701 6.417 1.00 0.00 C ATOM 40 O SER A 5 22.485 -1.104 7.548 1.00 0.00 O ATOM 41 CB SER A 5 24.661 -0.319 5.980 1.00 0.00 C ATOM 42 OG SER A 5 25.073 -1.461 5.234 1.00 0.00 O ATOM 0 H SER A 5 22.949 2.108 5.038 1.00 0.00 H new ATOM 0 HA SER A 5 23.088 -0.065 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.350 0.505 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.715 -0.543 7.045 1.00 0.00 H new ATOM 0 HG SER A 5 25.987 -1.706 5.489 1.00 0.00 H new ATOM 48 N SER A 6 21.069 -0.921 5.794 1.00 0.00 N ATOM 49 CA SER A 6 20.007 -1.683 6.429 1.00 0.00 C ATOM 50 C SER A 6 19.166 -2.394 5.367 1.00 0.00 C ATOM 51 O SER A 6 19.044 -3.618 5.383 1.00 0.00 O ATOM 52 CB SER A 6 19.122 -0.781 7.291 1.00 0.00 C ATOM 53 OG SER A 6 17.911 -1.428 7.672 1.00 0.00 O ATOM 0 H SER A 6 20.850 -0.585 4.856 1.00 0.00 H new ATOM 0 HA SER A 6 20.463 -2.428 7.081 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.670 -0.482 8.185 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.888 0.131 6.741 1.00 0.00 H new ATOM 0 HG SER A 6 17.374 -0.820 8.222 1.00 0.00 H new ATOM 59 N GLY A 7 18.608 -1.596 4.468 1.00 0.00 N ATOM 60 CA GLY A 7 17.782 -2.134 3.401 1.00 0.00 C ATOM 61 C GLY A 7 16.915 -3.288 3.907 1.00 0.00 C ATOM 62 O GLY A 7 17.089 -4.431 3.487 1.00 0.00 O ATOM 0 H GLY A 7 18.712 -0.581 4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.146 -1.347 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.416 -2.481 2.585 1.00 0.00 H new ATOM 66 N GLN A 8 15.999 -2.949 4.802 1.00 0.00 N ATOM 67 CA GLN A 8 15.104 -3.943 5.370 1.00 0.00 C ATOM 68 C GLN A 8 13.898 -3.261 6.021 1.00 0.00 C ATOM 69 O GLN A 8 14.037 -2.588 7.042 1.00 0.00 O ATOM 70 CB GLN A 8 15.839 -4.833 6.374 1.00 0.00 C ATOM 71 CG GLN A 8 16.068 -6.233 5.802 1.00 0.00 C ATOM 72 CD GLN A 8 17.554 -6.480 5.535 1.00 0.00 C ATOM 73 OE1 GLN A 8 18.426 -5.827 6.083 1.00 0.00 O ATOM 74 NE2 GLN A 8 17.792 -7.457 4.664 1.00 0.00 N ATOM 0 H GLN A 8 15.857 -2.000 5.148 1.00 0.00 H new ATOM 0 HA GLN A 8 14.744 -4.582 4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 8 16.797 -4.381 6.633 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.260 -4.903 7.295 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.691 -6.981 6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.504 -6.348 4.876 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.014 -7.964 4.242 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.752 -7.699 4.419 1.00 0.00 H new ATOM 83 N LYS A 9 12.743 -3.459 5.405 1.00 0.00 N ATOM 84 CA LYS A 9 11.514 -2.872 5.911 1.00 0.00 C ATOM 85 C LYS A 9 10.316 -3.562 5.255 1.00 0.00 C ATOM 86 O LYS A 9 9.487 -4.158 5.941 1.00 0.00 O ATOM 87 CB LYS A 9 11.528 -1.354 5.724 1.00 0.00 C ATOM 88 CG LYS A 9 10.779 -0.654 6.859 1.00 0.00 C ATOM 89 CD LYS A 9 9.279 -0.585 6.565 1.00 0.00 C ATOM 90 CE LYS A 9 8.514 0.006 7.752 1.00 0.00 C ATOM 91 NZ LYS A 9 7.571 -0.990 8.307 1.00 0.00 N ATOM 0 H LYS A 9 12.632 -4.018 4.559 1.00 0.00 H new ATOM 0 HA LYS A 9 11.428 -3.036 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.558 -0.998 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.070 -1.098 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.946 -1.189 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.174 0.353 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.106 0.023 5.677 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.902 -1.584 6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.216 0.321 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.969 0.895 7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.060 -0.574 9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.891 -1.271 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.099 -1.827 8.628 1.00 0.00 H new ATOM 105 N ASN A 10 10.263 -3.456 3.936 1.00 0.00 N ATOM 106 CA ASN A 10 9.180 -4.063 3.180 1.00 0.00 C ATOM 107 C ASN A 10 9.370 -3.759 1.692 1.00 0.00 C ATOM 108 O ASN A 10 10.017 -2.776 1.333 1.00 0.00 O ATOM 109 CB ASN A 10 7.825 -3.496 3.608 1.00 0.00 C ATOM 110 CG ASN A 10 6.991 -4.557 4.329 1.00 0.00 C ATOM 111 OD1 ASN A 10 7.451 -5.239 5.230 1.00 0.00 O ATOM 112 ND2 ASN A 10 5.742 -4.658 3.883 1.00 0.00 N ATOM 0 H ASN A 10 10.952 -2.959 3.371 1.00 0.00 H new ATOM 0 HA ASN A 10 9.198 -5.137 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.976 -2.639 4.264 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.284 -3.136 2.733 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.105 -5.338 4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.421 -4.056 3.125 1.00 0.00 H new ATOM 119 N PRO A 11 8.780 -4.644 0.845 1.00 0.00 N ATOM 120 CA PRO A 11 8.878 -4.480 -0.596 1.00 0.00 C ATOM 121 C PRO A 11 7.966 -3.353 -1.083 1.00 0.00 C ATOM 122 O PRO A 11 8.381 -2.515 -1.882 1.00 0.00 O ATOM 123 CB PRO A 11 8.505 -5.837 -1.172 1.00 0.00 C ATOM 124 CG PRO A 11 7.766 -6.571 -0.065 1.00 0.00 C ATOM 125 CD PRO A 11 8.006 -5.819 1.234 1.00 0.00 C ATOM 0 HA PRO A 11 9.876 -4.185 -0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.876 -5.727 -2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.394 -6.388 -1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.700 -6.621 -0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.123 -7.598 0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.066 -5.535 1.707 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.551 -6.432 1.952 1.00 0.00 H new ATOM 133 N ASP A 12 6.740 -3.368 -0.581 1.00 0.00 N ATOM 134 CA ASP A 12 5.766 -2.357 -0.955 1.00 0.00 C ATOM 135 C ASP A 12 4.578 -2.419 0.007 1.00 0.00 C ATOM 136 O ASP A 12 4.191 -1.407 0.589 1.00 0.00 O ATOM 137 CB ASP A 12 5.240 -2.596 -2.372 1.00 0.00 C ATOM 138 CG ASP A 12 5.769 -1.625 -3.430 1.00 0.00 C ATOM 139 OD1 ASP A 12 6.567 -0.744 -3.043 1.00 0.00 O ATOM 140 OD2 ASP A 12 5.363 -1.787 -4.601 1.00 0.00 O ATOM 0 H ASP A 12 6.399 -4.064 0.082 1.00 0.00 H new ATOM 0 HA ASP A 12 6.256 -1.384 -0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.497 -3.612 -2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.152 -2.534 -2.355 1.00 0.00 H new ATOM 145 N SER A 13 4.031 -3.618 0.144 1.00 0.00 N ATOM 146 CA SER A 13 2.894 -3.826 1.026 1.00 0.00 C ATOM 147 C SER A 13 2.507 -5.306 1.040 1.00 0.00 C ATOM 148 O SER A 13 2.176 -5.875 0.001 1.00 0.00 O ATOM 149 CB SER A 13 1.701 -2.969 0.597 1.00 0.00 C ATOM 150 OG SER A 13 0.639 -3.022 1.545 1.00 0.00 O ATOM 0 H SER A 13 4.354 -4.455 -0.341 1.00 0.00 H new ATOM 0 HA SER A 13 3.181 -3.523 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.023 -1.935 0.471 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.339 -3.311 -0.373 1.00 0.00 H new ATOM 0 HG SER A 13 -0.103 -2.461 1.237 1.00 0.00 H new ATOM 156 N TYR A 14 2.562 -5.888 2.229 1.00 0.00 N ATOM 157 CA TYR A 14 2.221 -7.291 2.393 1.00 0.00 C ATOM 158 C TYR A 14 0.866 -7.448 3.086 1.00 0.00 C ATOM 159 O TYR A 14 0.804 -7.608 4.304 1.00 0.00 O ATOM 160 CB TYR A 14 3.310 -7.888 3.285 1.00 0.00 C ATOM 161 CG TYR A 14 3.062 -9.346 3.679 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.008 -10.324 2.707 1.00 0.00 C ATOM 163 CD2 TYR A 14 2.893 -9.682 5.007 1.00 0.00 C ATOM 164 CE1 TYR A 14 2.774 -11.695 3.077 1.00 0.00 C ATOM 165 CE2 TYR A 14 2.659 -11.054 5.377 1.00 0.00 C ATOM 166 CZ TYR A 14 2.611 -11.993 4.394 1.00 0.00 C ATOM 167 OH TYR A 14 2.391 -13.288 4.745 1.00 0.00 O ATOM 0 H TYR A 14 2.838 -5.413 3.089 1.00 0.00 H new ATOM 0 HA TYR A 14 2.157 -7.787 1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.267 -7.820 2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.394 -7.287 4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.141 -10.061 1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.936 -8.917 5.768 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.729 -12.470 2.326 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.525 -11.331 6.412 1.00 0.00 H new ATOM 0 HH TYR A 14 2.295 -13.351 5.718 1.00 0.00 H new ATOM 177 N ASN A 15 -0.185 -7.399 2.281 1.00 0.00 N ATOM 178 CA ASN A 15 -1.534 -7.534 2.802 1.00 0.00 C ATOM 179 C ASN A 15 -2.524 -7.581 1.637 1.00 0.00 C ATOM 180 O ASN A 15 -3.250 -8.560 1.473 1.00 0.00 O ATOM 181 CB ASN A 15 -1.904 -6.343 3.689 1.00 0.00 C ATOM 182 CG ASN A 15 -1.874 -6.732 5.169 1.00 0.00 C ATOM 183 OD1 ASN A 15 -1.358 -7.767 5.555 1.00 0.00 O ATOM 184 ND2 ASN A 15 -2.455 -5.845 5.972 1.00 0.00 N ATOM 0 H ASN A 15 -0.129 -7.268 1.271 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.577 -8.450 3.391 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.209 -5.522 3.511 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.898 -5.982 3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.487 -6.012 6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.868 -4.998 5.582 1.00 0.00 H new ATOM 191 N GLY A 16 -2.521 -6.510 0.856 1.00 0.00 N ATOM 192 CA GLY A 16 -3.410 -6.417 -0.290 1.00 0.00 C ATOM 193 C GLY A 16 -3.797 -4.963 -0.567 1.00 0.00 C ATOM 194 O GLY A 16 -3.550 -4.084 0.257 1.00 0.00 O ATOM 0 H GLY A 16 -1.917 -5.700 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.923 -6.841 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.308 -7.008 -0.107 1.00 0.00 H new ATOM 198 N ALA A 17 -4.396 -4.755 -1.730 1.00 0.00 N ATOM 199 CA ALA A 17 -4.819 -3.423 -2.126 1.00 0.00 C ATOM 200 C ALA A 17 -3.591 -2.519 -2.251 1.00 0.00 C ATOM 201 O ALA A 17 -2.919 -2.238 -1.260 1.00 0.00 O ATOM 202 CB ALA A 17 -5.836 -2.889 -1.116 1.00 0.00 C ATOM 0 H ALA A 17 -4.598 -5.487 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.309 -3.449 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.153 -1.889 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.702 -3.551 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.379 -2.846 -0.128 1.00 0.00 H new ATOM 208 N VAL A 18 -3.336 -2.087 -3.478 1.00 0.00 N ATOM 209 CA VAL A 18 -2.201 -1.221 -3.745 1.00 0.00 C ATOM 210 C VAL A 18 -2.466 -0.418 -5.020 1.00 0.00 C ATOM 211 O VAL A 18 -2.951 -0.962 -6.011 1.00 0.00 O ATOM 212 CB VAL A 18 -0.916 -2.048 -3.817 1.00 0.00 C ATOM 213 CG1 VAL A 18 0.244 -1.214 -4.365 1.00 0.00 C ATOM 214 CG2 VAL A 18 -0.567 -2.639 -2.449 1.00 0.00 C ATOM 0 H VAL A 18 -3.896 -2.321 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.067 -0.507 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.089 -2.875 -4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.145 -1.826 -4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.002 -0.863 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.416 -0.358 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.350 -3.222 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.424 -1.832 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.379 -3.284 -2.113 1.00 0.00 H new ATOM 224 N ARG A 19 -2.138 0.864 -4.953 1.00 0.00 N ATOM 225 CA ARG A 19 -2.335 1.747 -6.090 1.00 0.00 C ATOM 226 C ARG A 19 -1.101 2.626 -6.300 1.00 0.00 C ATOM 227 O ARG A 19 -0.267 2.756 -5.405 1.00 0.00 O ATOM 228 CB ARG A 19 -3.560 2.641 -5.887 1.00 0.00 C ATOM 229 CG ARG A 19 -4.800 2.030 -6.542 1.00 0.00 C ATOM 230 CD ARG A 19 -4.863 2.378 -8.030 1.00 0.00 C ATOM 231 NE ARG A 19 -6.246 2.744 -8.407 1.00 0.00 N ATOM 232 CZ ARG A 19 -6.627 3.059 -9.652 1.00 0.00 C ATOM 233 NH1 ARG A 19 -5.731 3.055 -10.649 1.00 0.00 N ATOM 234 NH2 ARG A 19 -7.905 3.378 -9.902 1.00 0.00 N ATOM 0 H ARG A 19 -1.737 1.312 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.495 1.124 -6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.739 2.781 -4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.369 3.627 -6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.784 0.947 -6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.697 2.395 -6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.187 3.205 -8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.528 1.528 -8.625 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.954 2.757 -7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.759 2.812 -10.460 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.022 3.295 -11.597 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.588 3.381 -9.144 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.195 3.618 -10.850 1.00 0.00 H new ATOM 248 N GLU A 20 -1.022 3.207 -7.488 1.00 0.00 N ATOM 249 CA GLU A 20 0.097 4.069 -7.828 1.00 0.00 C ATOM 250 C GLU A 20 -0.226 5.522 -7.473 1.00 0.00 C ATOM 251 O GLU A 20 -0.177 6.400 -8.333 1.00 0.00 O ATOM 252 CB GLU A 20 0.465 3.935 -9.307 1.00 0.00 C ATOM 253 CG GLU A 20 -0.749 4.200 -10.200 1.00 0.00 C ATOM 254 CD GLU A 20 -0.340 4.943 -11.473 1.00 0.00 C ATOM 255 OE1 GLU A 20 0.430 4.346 -12.256 1.00 0.00 O ATOM 256 OE2 GLU A 20 -0.807 6.091 -11.635 1.00 0.00 O ATOM 0 H GLU A 20 -1.716 3.097 -8.228 1.00 0.00 H new ATOM 0 HA GLU A 20 0.962 3.755 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.262 4.637 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.852 2.934 -9.500 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.225 3.255 -10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.487 4.787 -9.653 1.00 0.00 H new ATOM 263 N ASN A 21 -0.550 5.730 -6.205 1.00 0.00 N ATOM 264 CA ASN A 21 -0.882 7.062 -5.727 1.00 0.00 C ATOM 265 C ASN A 21 -0.667 7.123 -4.213 1.00 0.00 C ATOM 266 O ASN A 21 0.044 7.995 -3.718 1.00 0.00 O ATOM 267 CB ASN A 21 -2.346 7.401 -6.011 1.00 0.00 C ATOM 268 CG ASN A 21 -2.570 8.914 -6.005 1.00 0.00 C ATOM 269 OD1 ASN A 21 -1.685 9.700 -6.300 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.800 9.278 -5.653 1.00 0.00 N ATOM 0 H ASN A 21 -0.590 4.999 -5.494 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.241 7.776 -6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.637 6.991 -6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.983 6.933 -5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.049 10.267 -5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.494 8.569 -5.418 1.00 0.00 H new ATOM 277 N TYR A 22 -1.296 6.184 -3.520 1.00 0.00 N ATOM 278 CA TYR A 22 -1.183 6.120 -2.073 1.00 0.00 C ATOM 279 C TYR A 22 -1.579 4.737 -1.553 1.00 0.00 C ATOM 280 O TYR A 22 -2.631 4.212 -1.915 1.00 0.00 O ATOM 281 CB TYR A 22 -2.165 7.158 -1.527 1.00 0.00 C ATOM 282 CG TYR A 22 -3.625 6.890 -1.898 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.388 6.039 -1.125 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.178 7.498 -3.007 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.762 5.786 -1.475 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.552 7.246 -3.356 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.276 6.402 -2.573 1.00 0.00 C ATOM 288 OH TYR A 22 -7.574 6.163 -2.903 1.00 0.00 O ATOM 0 H TYR A 22 -1.885 5.462 -3.934 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.157 6.310 -1.759 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.077 7.190 -0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.881 8.142 -1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.955 5.563 -0.258 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.580 8.163 -3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.370 5.122 -0.879 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.998 7.717 -4.220 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.088 5.973 -2.091 1.00 0.00 H new ATOM 298 N THR A 23 -0.717 4.187 -0.710 1.00 0.00 N ATOM 299 CA THR A 23 -0.964 2.876 -0.137 1.00 0.00 C ATOM 300 C THR A 23 -1.807 3.000 1.134 1.00 0.00 C ATOM 301 O THR A 23 -1.817 4.048 1.777 1.00 0.00 O ATOM 302 CB THR A 23 0.388 2.198 0.095 1.00 0.00 C ATOM 303 OG1 THR A 23 1.082 2.378 -1.137 1.00 0.00 O ATOM 304 CG2 THR A 23 0.266 0.680 0.236 1.00 0.00 C ATOM 0 H THR A 23 0.153 4.626 -0.410 1.00 0.00 H new ATOM 0 HA THR A 23 -1.545 2.251 -0.816 1.00 0.00 H new ATOM 0 HB THR A 23 0.851 2.609 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.971 1.970 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.254 0.249 0.399 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.377 0.444 1.084 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.166 0.264 -0.674 1.00 0.00 H new ATOM 312 N TRP A 24 -2.494 1.914 1.459 1.00 0.00 N ATOM 313 CA TRP A 24 -3.338 1.888 2.641 1.00 0.00 C ATOM 314 C TRP A 24 -3.648 0.426 2.969 1.00 0.00 C ATOM 315 O TRP A 24 -3.458 -0.455 2.132 1.00 0.00 O ATOM 316 CB TRP A 24 -4.596 2.735 2.436 1.00 0.00 C ATOM 317 CG TRP A 24 -5.773 1.964 1.835 1.00 0.00 C ATOM 318 CD1 TRP A 24 -6.096 1.828 0.541 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.777 1.224 2.561 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.230 1.058 0.382 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.657 0.679 1.649 1.00 0.00 C ATOM 322 CE3 TRP A 24 -6.936 1.022 3.944 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.758 -0.103 2.019 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.041 0.238 4.297 1.00 0.00 C ATOM 325 CH2 TRP A 24 -8.936 -0.318 3.391 1.00 0.00 C ATOM 0 H TRP A 24 -2.483 1.046 0.924 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.823 2.334 3.492 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.901 3.153 3.395 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.354 3.575 1.785 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.539 2.266 -0.274 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.673 0.812 -0.503 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.259 1.439 4.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.434 -0.518 1.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.210 0.052 5.347 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.765 -0.913 3.744 1.00 0.00 H new ATOM 336 N SER A 25 -4.119 0.214 4.189 1.00 0.00 N ATOM 337 CA SER A 25 -4.458 -1.126 4.637 1.00 0.00 C ATOM 338 C SER A 25 -5.568 -1.062 5.687 1.00 0.00 C ATOM 339 O SER A 25 -5.787 -0.019 6.302 1.00 0.00 O ATOM 340 CB SER A 25 -3.231 -1.843 5.205 1.00 0.00 C ATOM 341 OG SER A 25 -2.129 -1.814 4.302 1.00 0.00 O ATOM 0 H SER A 25 -4.274 0.947 4.881 1.00 0.00 H new ATOM 0 HA SER A 25 -4.813 -1.695 3.777 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.941 -1.375 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.488 -2.878 5.430 1.00 0.00 H new ATOM 0 HG SER A 25 -1.366 -2.281 4.702 1.00 0.00 H new ATOM 347 N GLN A 26 -6.242 -2.190 5.860 1.00 0.00 N ATOM 348 CA GLN A 26 -7.324 -2.275 6.825 1.00 0.00 C ATOM 349 C GLN A 26 -6.941 -3.212 7.972 1.00 0.00 C ATOM 350 O GLN A 26 -6.458 -4.319 7.739 1.00 0.00 O ATOM 351 CB GLN A 26 -8.622 -2.731 6.155 1.00 0.00 C ATOM 352 CG GLN A 26 -9.742 -2.896 7.184 1.00 0.00 C ATOM 353 CD GLN A 26 -10.681 -4.039 6.793 1.00 0.00 C ATOM 354 OE1 GLN A 26 -10.780 -4.431 5.642 1.00 0.00 O ATOM 355 NE2 GLN A 26 -11.363 -4.551 7.814 1.00 0.00 N ATOM 0 H GLN A 26 -6.059 -3.053 5.348 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.496 -1.280 7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.921 -2.003 5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.456 -3.676 5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.312 -3.093 8.166 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.307 -1.967 7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.233 -4.176 8.754 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.016 -5.319 7.657 1.00 0.00 H new ATOM 364 N ASP A 27 -7.171 -2.734 9.186 1.00 0.00 N ATOM 365 CA ASP A 27 -6.855 -3.516 10.370 1.00 0.00 C ATOM 366 C ASP A 27 -8.152 -3.876 11.098 1.00 0.00 C ATOM 367 O ASP A 27 -9.236 -3.474 10.678 1.00 0.00 O ATOM 368 CB ASP A 27 -5.976 -2.721 11.337 1.00 0.00 C ATOM 369 CG ASP A 27 -4.505 -2.609 10.930 1.00 0.00 C ATOM 370 OD1 ASP A 27 -4.086 -3.429 10.085 1.00 0.00 O ATOM 371 OD2 ASP A 27 -3.833 -1.707 11.475 1.00 0.00 O ATOM 0 H ASP A 27 -7.572 -1.816 9.376 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.321 -4.411 10.051 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.387 -1.717 11.436 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.031 -3.187 12.321 1.00 0.00 H new ATOM 376 N TYR A 28 -7.997 -4.631 12.177 1.00 0.00 N ATOM 377 CA TYR A 28 -9.142 -5.050 12.967 1.00 0.00 C ATOM 378 C TYR A 28 -10.117 -3.890 13.178 1.00 0.00 C ATOM 379 O TYR A 28 -11.331 -4.070 13.092 1.00 0.00 O ATOM 380 CB TYR A 28 -8.583 -5.483 14.323 1.00 0.00 C ATOM 381 CG TYR A 28 -9.540 -6.351 15.143 1.00 0.00 C ATOM 382 CD1 TYR A 28 -10.781 -5.864 15.498 1.00 0.00 C ATOM 383 CD2 TYR A 28 -9.161 -7.622 15.527 1.00 0.00 C ATOM 384 CE1 TYR A 28 -11.681 -6.681 16.269 1.00 0.00 C ATOM 385 CE2 TYR A 28 -10.062 -8.439 16.298 1.00 0.00 C ATOM 386 CZ TYR A 28 -11.278 -7.928 16.631 1.00 0.00 C ATOM 387 OH TYR A 28 -12.128 -8.699 17.360 1.00 0.00 O ATOM 0 H TYR A 28 -7.096 -4.963 12.522 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.683 -5.850 12.463 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.656 -6.034 14.163 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.330 -4.594 14.901 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -11.077 -4.870 15.197 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.189 -8.003 15.249 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.655 -6.312 16.554 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.779 -9.435 16.605 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.707 -9.565 17.545 1.00 0.00 H new ATOM 397 N THR A 29 -9.550 -2.724 13.450 1.00 0.00 N ATOM 398 CA THR A 29 -10.353 -1.534 13.675 1.00 0.00 C ATOM 399 C THR A 29 -9.492 -0.276 13.545 1.00 0.00 C ATOM 400 O THR A 29 -9.224 0.401 14.536 1.00 0.00 O ATOM 401 CB THR A 29 -11.028 -1.670 15.041 1.00 0.00 C ATOM 402 OG1 THR A 29 -11.652 -0.406 15.248 1.00 0.00 O ATOM 403 CG2 THR A 29 -10.019 -1.780 16.185 1.00 0.00 C ATOM 0 H THR A 29 -8.543 -2.578 13.520 1.00 0.00 H new ATOM 0 HA THR A 29 -11.133 -1.435 12.920 1.00 0.00 H new ATOM 0 HB THR A 29 -11.673 -2.549 15.041 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.967 0.271 15.432 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.551 -1.874 17.132 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.391 -2.658 16.033 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.395 -0.886 16.207 1.00 0.00 H new ATOM 411 N ASP A 30 -9.082 -0.003 12.315 1.00 0.00 N ATOM 412 CA ASP A 30 -8.257 1.162 12.043 1.00 0.00 C ATOM 413 C ASP A 30 -7.648 1.035 10.645 1.00 0.00 C ATOM 414 O ASP A 30 -7.549 -0.066 10.105 1.00 0.00 O ATOM 415 CB ASP A 30 -7.110 1.271 13.050 1.00 0.00 C ATOM 416 CG ASP A 30 -7.305 2.326 14.141 1.00 0.00 C ATOM 417 OD1 ASP A 30 -8.131 3.235 13.909 1.00 0.00 O ATOM 418 OD2 ASP A 30 -6.624 2.199 15.181 1.00 0.00 O ATOM 0 H ASP A 30 -9.306 -0.568 11.496 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.888 2.047 12.117 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.970 0.300 13.525 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.191 1.496 12.508 1.00 0.00 H new ATOM 423 N LEU A 31 -7.257 2.177 10.099 1.00 0.00 N ATOM 424 CA LEU A 31 -6.661 2.208 8.775 1.00 0.00 C ATOM 425 C LEU A 31 -5.305 2.913 8.846 1.00 0.00 C ATOM 426 O LEU A 31 -5.043 3.669 9.781 1.00 0.00 O ATOM 427 CB LEU A 31 -7.627 2.833 7.767 1.00 0.00 C ATOM 428 CG LEU A 31 -9.098 2.435 7.911 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.896 3.532 8.617 1.00 0.00 C ATOM 430 CD2 LEU A 31 -9.702 2.069 6.553 1.00 0.00 C ATOM 0 H LEU A 31 -7.342 3.088 10.550 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.475 1.195 8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.555 3.918 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.296 2.567 6.763 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.152 1.545 8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.938 3.224 8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.481 3.702 9.611 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.839 4.454 8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.748 1.790 6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.636 2.926 5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.153 1.230 6.125 1.00 0.00 H new ATOM 442 N GLU A 32 -4.479 2.642 7.846 1.00 0.00 N ATOM 443 CA GLU A 32 -3.157 3.242 7.784 1.00 0.00 C ATOM 444 C GLU A 32 -2.752 3.483 6.328 1.00 0.00 C ATOM 445 O GLU A 32 -2.400 2.545 5.615 1.00 0.00 O ATOM 446 CB GLU A 32 -2.126 2.370 8.503 1.00 0.00 C ATOM 447 CG GLU A 32 -1.581 3.078 9.746 1.00 0.00 C ATOM 448 CD GLU A 32 -0.552 2.205 10.467 1.00 0.00 C ATOM 449 OE1 GLU A 32 0.523 1.984 9.870 1.00 0.00 O ATOM 450 OE2 GLU A 32 -0.865 1.778 11.600 1.00 0.00 O ATOM 0 H GLU A 32 -4.700 2.015 7.072 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.191 4.204 8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.582 1.423 8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.306 2.136 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.123 4.024 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.402 3.314 10.424 1.00 0.00 H new ATOM 457 N VAL A 33 -2.815 4.745 5.932 1.00 0.00 N ATOM 458 CA VAL A 33 -2.459 5.122 4.574 1.00 0.00 C ATOM 459 C VAL A 33 -1.144 5.904 4.595 1.00 0.00 C ATOM 460 O VAL A 33 -1.070 6.987 5.173 1.00 0.00 O ATOM 461 CB VAL A 33 -3.607 5.900 3.928 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.347 6.747 4.966 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.101 6.767 2.774 1.00 0.00 C ATOM 0 H VAL A 33 -3.107 5.520 6.527 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.300 4.235 3.961 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.313 5.177 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.158 7.290 4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.757 6.098 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.654 7.457 5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.937 7.309 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.365 7.478 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.640 6.132 2.017 1.00 0.00 H new ATOM 473 N ARG A 34 -0.137 5.324 3.957 1.00 0.00 N ATOM 474 CA ARG A 34 1.171 5.953 3.895 1.00 0.00 C ATOM 475 C ARG A 34 1.425 6.511 2.493 1.00 0.00 C ATOM 476 O ARG A 34 1.361 5.778 1.508 1.00 0.00 O ATOM 477 CB ARG A 34 2.278 4.957 4.248 1.00 0.00 C ATOM 478 CG ARG A 34 2.485 4.882 5.762 1.00 0.00 C ATOM 479 CD ARG A 34 3.090 3.536 6.166 1.00 0.00 C ATOM 480 NE ARG A 34 2.121 2.447 5.906 1.00 0.00 N ATOM 481 CZ ARG A 34 2.171 1.242 6.491 1.00 0.00 C ATOM 482 NH1 ARG A 34 3.141 0.964 7.372 1.00 0.00 N ATOM 483 NH2 ARG A 34 1.249 0.315 6.194 1.00 0.00 N ATOM 0 H ARG A 34 -0.201 4.425 3.479 1.00 0.00 H new ATOM 0 HA ARG A 34 1.183 6.766 4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.021 3.970 3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.208 5.255 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.141 5.691 6.084 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.531 5.024 6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.008 3.358 5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.358 3.551 7.222 1.00 0.00 H new ATOM 0 HE ARG A 34 1.369 2.625 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.842 1.669 7.598 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.178 0.047 7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.510 0.527 5.523 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.286 -0.602 6.639 1.00 0.00 H new ATOM 497 N VAL A 35 1.709 7.805 2.449 1.00 0.00 N ATOM 498 CA VAL A 35 1.973 8.470 1.185 1.00 0.00 C ATOM 499 C VAL A 35 3.477 8.717 1.048 1.00 0.00 C ATOM 500 O VAL A 35 4.119 9.194 1.982 1.00 0.00 O ATOM 501 CB VAL A 35 1.146 9.753 1.086 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.440 10.496 -0.219 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.349 9.454 1.221 1.00 0.00 C ATOM 0 H VAL A 35 1.762 8.410 3.269 1.00 0.00 H new ATOM 0 HA VAL A 35 1.669 7.838 0.350 1.00 0.00 H new ATOM 0 HB VAL A 35 1.434 10.401 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.839 11.404 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.497 10.758 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.193 9.856 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.914 10.383 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.658 8.777 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.541 8.989 2.188 1.00 0.00 H new ATOM 513 N PRO A 36 4.009 8.371 -0.155 1.00 0.00 N ATOM 514 CA PRO A 36 5.425 8.550 -0.427 1.00 0.00 C ATOM 515 C PRO A 36 5.755 10.025 -0.665 1.00 0.00 C ATOM 516 O PRO A 36 5.020 10.726 -1.359 1.00 0.00 O ATOM 517 CB PRO A 36 5.707 7.675 -1.637 1.00 0.00 C ATOM 518 CG PRO A 36 4.357 7.404 -2.280 1.00 0.00 C ATOM 519 CD PRO A 36 3.279 7.804 -1.285 1.00 0.00 C ATOM 0 HA PRO A 36 6.055 8.259 0.413 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.378 8.177 -2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.193 6.745 -1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.253 7.972 -3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.263 6.350 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.591 8.531 -1.717 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.683 6.944 -0.980 1.00 0.00 H new ATOM 527 N VAL A 37 6.863 10.453 -0.077 1.00 0.00 N ATOM 528 CA VAL A 37 7.300 11.832 -0.217 1.00 0.00 C ATOM 529 C VAL A 37 8.714 11.857 -0.802 1.00 0.00 C ATOM 530 O VAL A 37 9.442 10.870 -0.717 1.00 0.00 O ATOM 531 CB VAL A 37 7.197 12.552 1.129 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.756 12.546 1.644 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.149 11.937 2.155 1.00 0.00 C ATOM 0 H VAL A 37 7.471 9.869 0.497 1.00 0.00 H new ATOM 0 HA VAL A 37 6.652 12.370 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 37 7.495 13.590 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.710 13.064 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.111 13.053 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.419 11.517 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.055 12.468 3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.897 10.887 2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.174 12.017 1.794 1.00 0.00 H new ATOM 543 N PRO A 38 9.068 13.027 -1.397 1.00 0.00 N ATOM 544 CA PRO A 38 10.382 13.195 -1.996 1.00 0.00 C ATOM 545 C PRO A 38 11.455 13.376 -0.920 1.00 0.00 C ATOM 546 O PRO A 38 11.150 13.384 0.271 1.00 0.00 O ATOM 547 CB PRO A 38 10.247 14.401 -2.910 1.00 0.00 C ATOM 548 CG PRO A 38 9.006 15.143 -2.440 1.00 0.00 C ATOM 549 CD PRO A 38 8.232 14.218 -1.516 1.00 0.00 C ATOM 0 HA PRO A 38 10.702 12.319 -2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.129 15.038 -2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.147 14.093 -3.951 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.284 16.059 -1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.391 15.435 -3.291 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.062 14.681 -0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.253 13.975 -1.929 1.00 0.00 H new ATOM 557 N LYS A 39 12.690 13.518 -1.380 1.00 0.00 N ATOM 558 CA LYS A 39 13.810 13.698 -0.473 1.00 0.00 C ATOM 559 C LYS A 39 13.966 15.186 -0.152 1.00 0.00 C ATOM 560 O LYS A 39 14.982 15.602 0.402 1.00 0.00 O ATOM 561 CB LYS A 39 15.075 13.058 -1.048 1.00 0.00 C ATOM 562 CG LYS A 39 14.777 11.668 -1.613 1.00 0.00 C ATOM 563 CD LYS A 39 14.915 10.595 -0.532 1.00 0.00 C ATOM 564 CE LYS A 39 16.381 10.209 -0.326 1.00 0.00 C ATOM 565 NZ LYS A 39 16.627 9.842 1.087 1.00 0.00 N ATOM 0 H LYS A 39 12.939 13.512 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 39 13.622 13.185 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.484 13.694 -1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.835 12.983 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.768 11.647 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.460 11.451 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.497 10.962 0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.339 9.713 -0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.637 9.372 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.026 11.041 -0.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.627 9.583 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.402 10.651 1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.026 9.034 1.346 1.00 0.00 H new ATOM 579 N HIS A 40 12.943 15.947 -0.514 1.00 0.00 N ATOM 580 CA HIS A 40 12.954 17.380 -0.271 1.00 0.00 C ATOM 581 C HIS A 40 11.854 17.739 0.730 1.00 0.00 C ATOM 582 O HIS A 40 11.730 18.895 1.133 1.00 0.00 O ATOM 583 CB HIS A 40 12.835 18.154 -1.586 1.00 0.00 C ATOM 584 CG HIS A 40 11.424 18.249 -2.117 1.00 0.00 C ATOM 585 ND1 HIS A 40 11.002 17.573 -3.248 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.345 18.947 -1.659 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.725 17.859 -3.454 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.320 18.710 -2.468 1.00 0.00 N ATOM 0 H HIS A 40 12.102 15.598 -0.973 1.00 0.00 H new ATOM 0 HA HIS A 40 13.907 17.671 0.170 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.226 19.161 -1.440 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.463 17.674 -2.336 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.328 19.584 -0.787 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.112 17.484 -4.261 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.383 19.100 -2.369 1.00 0.00 H new ATOM 596 N VAL A 41 11.085 16.727 1.104 1.00 0.00 N ATOM 597 CA VAL A 41 10.000 16.921 2.051 1.00 0.00 C ATOM 598 C VAL A 41 10.436 16.419 3.429 1.00 0.00 C ATOM 599 O VAL A 41 10.579 15.215 3.637 1.00 0.00 O ATOM 600 CB VAL A 41 8.730 16.239 1.539 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.722 16.035 2.672 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.108 17.031 0.387 1.00 0.00 C ATOM 0 H VAL A 41 11.192 15.770 0.768 1.00 0.00 H new ATOM 0 HA VAL A 41 9.765 17.981 2.151 1.00 0.00 H new ATOM 0 HB VAL A 41 9.008 15.257 1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.828 15.548 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.166 15.409 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.452 17.002 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.207 16.524 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.852 18.033 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.822 17.101 -0.434 1.00 0.00 H new ATOM 612 N VAL A 42 10.633 17.366 4.334 1.00 0.00 N ATOM 613 CA VAL A 42 11.049 17.034 5.686 1.00 0.00 C ATOM 614 C VAL A 42 10.136 17.747 6.685 1.00 0.00 C ATOM 615 O VAL A 42 9.737 17.164 7.692 1.00 0.00 O ATOM 616 CB VAL A 42 12.528 17.376 5.877 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.419 16.425 5.075 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.806 18.834 5.505 1.00 0.00 C ATOM 0 H VAL A 42 10.512 18.363 4.158 1.00 0.00 H new ATOM 0 HA VAL A 42 10.952 15.963 5.864 1.00 0.00 H new ATOM 0 HB VAL A 42 12.768 17.248 6.933 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.465 16.690 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.251 15.401 5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.176 16.505 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.864 19.051 5.650 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.541 19.000 4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.211 19.491 6.139 1.00 0.00 H new ATOM 628 N LYS A 43 9.833 18.998 6.372 1.00 0.00 N ATOM 629 CA LYS A 43 8.974 19.797 7.230 1.00 0.00 C ATOM 630 C LYS A 43 7.517 19.382 7.015 1.00 0.00 C ATOM 631 O LYS A 43 7.123 19.043 5.901 1.00 0.00 O ATOM 632 CB LYS A 43 9.229 21.289 7.003 1.00 0.00 C ATOM 633 CG LYS A 43 10.219 21.839 8.031 1.00 0.00 C ATOM 634 CD LYS A 43 10.755 23.206 7.600 1.00 0.00 C ATOM 635 CE LYS A 43 12.193 23.095 7.090 1.00 0.00 C ATOM 636 NZ LYS A 43 12.357 23.858 5.833 1.00 0.00 N ATOM 0 H LYS A 43 10.167 19.478 5.536 1.00 0.00 H new ATOM 0 HA LYS A 43 9.206 19.613 8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.619 21.446 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.289 21.836 7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.730 21.926 9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.048 21.141 8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.119 23.620 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.716 23.898 8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.883 23.473 7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.446 22.048 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.339 23.772 5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.712 23.479 5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.136 24.860 6.004 1.00 0.00 H new ATOM 650 N GLY A 44 6.758 19.423 8.100 1.00 0.00 N ATOM 651 CA GLY A 44 5.353 19.055 8.045 1.00 0.00 C ATOM 652 C GLY A 44 4.512 20.190 7.457 1.00 0.00 C ATOM 653 O GLY A 44 3.303 20.046 7.283 1.00 0.00 O ATOM 0 H GLY A 44 7.089 19.705 9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.232 18.157 7.440 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.997 18.815 9.047 1.00 0.00 H new ATOM 657 N LYS A 45 5.186 21.294 7.166 1.00 0.00 N ATOM 658 CA LYS A 45 4.516 22.452 6.601 1.00 0.00 C ATOM 659 C LYS A 45 4.559 22.367 5.074 1.00 0.00 C ATOM 660 O LYS A 45 3.816 23.068 4.388 1.00 0.00 O ATOM 661 CB LYS A 45 5.114 23.744 7.162 1.00 0.00 C ATOM 662 CG LYS A 45 6.509 23.997 6.586 1.00 0.00 C ATOM 663 CD LYS A 45 6.652 25.445 6.113 1.00 0.00 C ATOM 664 CE LYS A 45 8.123 25.806 5.890 1.00 0.00 C ATOM 665 NZ LYS A 45 8.375 26.091 4.460 1.00 0.00 N ATOM 0 H LYS A 45 6.189 21.410 7.311 1.00 0.00 H new ATOM 0 HA LYS A 45 3.465 22.462 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.461 24.584 6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.171 23.681 8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.263 23.782 7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.691 23.319 5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.095 25.586 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.217 26.118 6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.386 26.676 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.759 24.985 6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.377 26.334 4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.144 25.251 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.781 26.889 4.155 1.00 0.00 H new ATOM 679 N GLN A 46 5.436 21.502 4.586 1.00 0.00 N ATOM 680 CA GLN A 46 5.586 21.316 3.153 1.00 0.00 C ATOM 681 C GLN A 46 4.527 20.342 2.631 1.00 0.00 C ATOM 682 O GLN A 46 4.569 19.938 1.470 1.00 0.00 O ATOM 683 CB GLN A 46 6.995 20.830 2.808 1.00 0.00 C ATOM 684 CG GLN A 46 8.046 21.546 3.658 1.00 0.00 C ATOM 685 CD GLN A 46 9.412 21.529 2.970 1.00 0.00 C ATOM 686 OE1 GLN A 46 10.208 22.447 3.089 1.00 0.00 O ATOM 687 NE2 GLN A 46 9.640 20.437 2.247 1.00 0.00 N ATOM 0 H GLN A 46 6.050 20.922 5.158 1.00 0.00 H new ATOM 0 HA GLN A 46 5.439 22.279 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.062 19.754 2.970 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.196 21.006 1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.736 22.576 3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.120 21.064 4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.931 19.706 2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.524 20.330 1.750 1.00 0.00 H new ATOM 696 N VAL A 47 3.602 19.995 3.513 1.00 0.00 N ATOM 697 CA VAL A 47 2.534 19.077 3.156 1.00 0.00 C ATOM 698 C VAL A 47 1.227 19.547 3.799 1.00 0.00 C ATOM 699 O VAL A 47 1.221 20.000 4.942 1.00 0.00 O ATOM 700 CB VAL A 47 2.916 17.650 3.552 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.524 16.896 2.368 1.00 0.00 C ATOM 702 CG2 VAL A 47 3.868 17.650 4.750 1.00 0.00 C ATOM 0 H VAL A 47 3.570 20.333 4.475 1.00 0.00 H new ATOM 0 HA VAL A 47 2.381 19.070 2.077 1.00 0.00 H new ATOM 0 HB VAL A 47 2.005 17.129 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.787 15.884 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.800 16.851 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.420 17.415 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.124 16.623 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.776 18.196 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.383 18.131 5.600 1.00 0.00 H new ATOM 712 N SER A 48 0.151 19.422 3.035 1.00 0.00 N ATOM 713 CA SER A 48 -1.159 19.828 3.516 1.00 0.00 C ATOM 714 C SER A 48 -2.004 18.593 3.836 1.00 0.00 C ATOM 715 O SER A 48 -1.980 17.611 3.096 1.00 0.00 O ATOM 716 CB SER A 48 -1.873 20.709 2.490 1.00 0.00 C ATOM 717 OG SER A 48 -1.003 21.689 1.930 1.00 0.00 O ATOM 0 H SER A 48 0.160 19.046 2.087 1.00 0.00 H new ATOM 0 HA SER A 48 -1.024 20.413 4.425 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.276 20.084 1.693 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.720 21.205 2.965 1.00 0.00 H new ATOM 0 HG SER A 48 -1.496 22.230 1.278 1.00 0.00 H new ATOM 723 N VAL A 49 -2.733 18.684 4.939 1.00 0.00 N ATOM 724 CA VAL A 49 -3.584 17.587 5.365 1.00 0.00 C ATOM 725 C VAL A 49 -4.914 18.147 5.875 1.00 0.00 C ATOM 726 O VAL A 49 -4.940 18.926 6.827 1.00 0.00 O ATOM 727 CB VAL A 49 -2.857 16.734 6.407 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.781 15.654 6.973 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.587 16.116 5.819 1.00 0.00 C ATOM 0 H VAL A 49 -2.751 19.501 5.550 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.808 16.930 4.525 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.563 17.387 7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.240 15.062 7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.643 16.124 7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.120 15.005 6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.089 15.515 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.849 15.484 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.917 16.909 5.487 1.00 0.00 H new ATOM 739 N ALA A 50 -5.986 17.729 5.218 1.00 0.00 N ATOM 740 CA ALA A 50 -7.316 18.180 5.592 1.00 0.00 C ATOM 741 C ALA A 50 -8.116 16.996 6.138 1.00 0.00 C ATOM 742 O ALA A 50 -8.325 16.007 5.437 1.00 0.00 O ATOM 743 CB ALA A 50 -7.992 18.833 4.385 1.00 0.00 C ATOM 0 H ALA A 50 -5.961 17.083 4.429 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.259 18.931 6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.990 19.171 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.400 19.686 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.069 18.108 3.575 1.00 0.00 H new ATOM 749 N LEU A 51 -8.542 17.135 7.385 1.00 0.00 N ATOM 750 CA LEU A 51 -9.315 16.089 8.033 1.00 0.00 C ATOM 751 C LEU A 51 -10.689 16.640 8.418 1.00 0.00 C ATOM 752 O LEU A 51 -10.784 17.642 9.126 1.00 0.00 O ATOM 753 CB LEU A 51 -8.536 15.500 9.211 1.00 0.00 C ATOM 754 CG LEU A 51 -7.448 14.485 8.855 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.763 13.952 10.115 1.00 0.00 C ATOM 756 CD2 LEU A 51 -8.013 13.357 7.989 1.00 0.00 C ATOM 0 H LEU A 51 -8.366 17.956 7.964 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.485 15.260 7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.074 16.320 9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.245 15.021 9.887 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.686 14.993 8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.994 13.232 9.834 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.305 14.779 10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.501 13.464 10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.219 12.649 7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.806 12.843 8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.417 13.774 7.067 1.00 0.00 H new ATOM 768 N SER A 52 -11.720 15.962 7.937 1.00 0.00 N ATOM 769 CA SER A 52 -13.084 16.371 8.222 1.00 0.00 C ATOM 770 C SER A 52 -13.885 15.184 8.762 1.00 0.00 C ATOM 771 O SER A 52 -14.413 15.240 9.871 1.00 0.00 O ATOM 772 CB SER A 52 -13.760 16.943 6.974 1.00 0.00 C ATOM 773 OG SER A 52 -13.319 18.268 6.688 1.00 0.00 O ATOM 0 H SER A 52 -11.638 15.131 7.351 1.00 0.00 H new ATOM 0 HA SER A 52 -13.054 17.155 8.978 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.550 16.299 6.120 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.841 16.943 7.115 1.00 0.00 H new ATOM 0 HG SER A 52 -13.772 18.597 5.884 1.00 0.00 H new ATOM 779 N SER A 53 -13.950 14.138 7.951 1.00 0.00 N ATOM 780 CA SER A 53 -14.677 12.939 8.334 1.00 0.00 C ATOM 781 C SER A 53 -14.754 11.973 7.150 1.00 0.00 C ATOM 782 O SER A 53 -14.273 10.844 7.233 1.00 0.00 O ATOM 783 CB SER A 53 -16.083 13.283 8.830 1.00 0.00 C ATOM 784 OG SER A 53 -16.903 12.124 8.956 1.00 0.00 O ATOM 0 H SER A 53 -13.512 14.096 7.031 1.00 0.00 H new ATOM 0 HA SER A 53 -14.139 12.459 9.152 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.014 13.785 9.795 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.550 13.984 8.138 1.00 0.00 H new ATOM 0 HG SER A 53 -17.445 12.194 9.769 1.00 0.00 H new ATOM 790 N SER A 54 -15.361 12.453 6.074 1.00 0.00 N ATOM 791 CA SER A 54 -15.507 11.646 4.875 1.00 0.00 C ATOM 792 C SER A 54 -14.701 12.262 3.729 1.00 0.00 C ATOM 793 O SER A 54 -15.081 12.145 2.565 1.00 0.00 O ATOM 794 CB SER A 54 -16.978 11.512 4.476 1.00 0.00 C ATOM 795 OG SER A 54 -17.495 12.722 3.929 1.00 0.00 O ATOM 0 H SER A 54 -15.757 13.391 6.008 1.00 0.00 H new ATOM 0 HA SER A 54 -15.124 10.648 5.086 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.084 10.710 3.746 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.566 11.228 5.349 1.00 0.00 H new ATOM 0 HG SER A 54 -18.436 12.595 3.685 1.00 0.00 H new ATOM 801 N SER A 55 -13.602 12.903 4.099 1.00 0.00 N ATOM 802 CA SER A 55 -12.739 13.537 3.117 1.00 0.00 C ATOM 803 C SER A 55 -11.310 13.628 3.657 1.00 0.00 C ATOM 804 O SER A 55 -11.107 13.825 4.854 1.00 0.00 O ATOM 805 CB SER A 55 -13.256 14.928 2.745 1.00 0.00 C ATOM 806 OG SER A 55 -14.147 15.447 3.729 1.00 0.00 O ATOM 0 H SER A 55 -13.289 12.997 5.065 1.00 0.00 H new ATOM 0 HA SER A 55 -12.741 12.926 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.413 15.608 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.766 14.880 1.783 1.00 0.00 H new ATOM 0 HG SER A 55 -14.454 16.337 3.456 1.00 0.00 H new ATOM 812 N ILE A 56 -10.357 13.481 2.748 1.00 0.00 N ATOM 813 CA ILE A 56 -8.954 13.545 3.119 1.00 0.00 C ATOM 814 C ILE A 56 -8.170 14.249 2.010 1.00 0.00 C ATOM 815 O ILE A 56 -8.557 14.200 0.843 1.00 0.00 O ATOM 816 CB ILE A 56 -8.424 12.149 3.454 1.00 0.00 C ATOM 817 CG1 ILE A 56 -7.039 12.228 4.098 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.431 11.248 2.218 1.00 0.00 C ATOM 819 CD1 ILE A 56 -5.963 12.516 3.049 1.00 0.00 C ATOM 0 H ILE A 56 -10.529 13.318 1.756 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.827 14.136 4.026 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.094 11.697 4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.031 13.010 4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.816 11.289 4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.050 10.262 2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.450 11.154 1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.799 11.685 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.988 12.567 3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.958 11.719 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.176 13.467 2.561 1.00 0.00 H new ATOM 831 N ARG A 57 -7.082 14.889 2.413 1.00 0.00 N ATOM 832 CA ARG A 57 -6.240 15.604 1.468 1.00 0.00 C ATOM 833 C ARG A 57 -4.764 15.395 1.810 1.00 0.00 C ATOM 834 O ARG A 57 -4.371 15.495 2.971 1.00 0.00 O ATOM 835 CB ARG A 57 -6.551 17.102 1.476 1.00 0.00 C ATOM 836 CG ARG A 57 -6.237 17.734 0.119 1.00 0.00 C ATOM 837 CD ARG A 57 -5.859 19.209 0.276 1.00 0.00 C ATOM 838 NE ARG A 57 -6.075 19.925 -1.001 1.00 0.00 N ATOM 839 CZ ARG A 57 -5.472 21.076 -1.328 1.00 0.00 C ATOM 840 NH1 ARG A 57 -4.612 21.647 -0.475 1.00 0.00 N ATOM 841 NH2 ARG A 57 -5.729 21.654 -2.509 1.00 0.00 N ATOM 0 H ARG A 57 -6.764 14.927 3.381 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.446 15.207 0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.602 17.258 1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.968 17.594 2.254 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.419 17.194 -0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.103 17.644 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.459 19.665 1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.816 19.295 0.579 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.723 19.517 -1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.416 21.206 0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.153 22.523 -0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.383 21.218 -3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.270 22.530 -2.759 1.00 0.00 H new ATOM 855 N VAL A 58 -3.985 15.108 0.777 1.00 0.00 N ATOM 856 CA VAL A 58 -2.560 14.884 0.953 1.00 0.00 C ATOM 857 C VAL A 58 -1.798 15.554 -0.192 1.00 0.00 C ATOM 858 O VAL A 58 -1.686 14.992 -1.281 1.00 0.00 O ATOM 859 CB VAL A 58 -2.276 13.385 1.064 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.819 13.131 1.457 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.235 12.717 2.051 1.00 0.00 C ATOM 0 H VAL A 58 -4.314 15.025 -0.185 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.214 15.336 1.882 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.441 12.939 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.643 12.058 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.159 13.557 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.616 13.597 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.012 11.652 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.116 13.169 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.261 12.854 1.710 1.00 0.00 H new ATOM 871 N ALA A 59 -1.293 16.746 0.092 1.00 0.00 N ATOM 872 CA ALA A 59 -0.545 17.498 -0.900 1.00 0.00 C ATOM 873 C ALA A 59 0.847 17.816 -0.350 1.00 0.00 C ATOM 874 O ALA A 59 1.027 17.935 0.861 1.00 0.00 O ATOM 875 CB ALA A 59 -1.323 18.759 -1.279 1.00 0.00 C ATOM 0 H ALA A 59 -1.388 17.209 0.996 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.415 16.910 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.761 19.323 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.292 18.478 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.471 19.376 -0.392 1.00 0.00 H new ATOM 881 N MET A 60 1.796 17.944 -1.266 1.00 0.00 N ATOM 882 CA MET A 60 3.166 18.245 -0.888 1.00 0.00 C ATOM 883 C MET A 60 3.704 19.437 -1.682 1.00 0.00 C ATOM 884 O MET A 60 3.365 19.612 -2.851 1.00 0.00 O ATOM 885 CB MET A 60 4.047 17.021 -1.143 1.00 0.00 C ATOM 886 CG MET A 60 3.948 16.568 -2.601 1.00 0.00 C ATOM 887 SD MET A 60 5.571 16.163 -3.225 1.00 0.00 S ATOM 888 CE MET A 60 6.418 17.701 -2.908 1.00 0.00 C ATOM 0 H MET A 60 1.643 17.845 -2.270 1.00 0.00 H new ATOM 0 HA MET A 60 3.183 18.501 0.171 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.083 17.258 -0.902 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.744 16.207 -0.484 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.293 15.700 -2.677 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.503 17.358 -3.207 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.089 17.924 -3.737 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.688 18.504 -2.806 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.995 17.616 -1.987 1.00 0.00 H new ATOM 898 N LEU A 61 4.535 20.225 -1.015 1.00 0.00 N ATOM 899 CA LEU A 61 5.124 21.394 -1.644 1.00 0.00 C ATOM 900 C LEU A 61 6.279 20.956 -2.547 1.00 0.00 C ATOM 901 O LEU A 61 7.167 20.223 -2.113 1.00 0.00 O ATOM 902 CB LEU A 61 5.526 22.426 -0.588 1.00 0.00 C ATOM 903 CG LEU A 61 4.377 23.085 0.177 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.833 24.389 0.835 1.00 0.00 C ATOM 905 CD2 LEU A 61 3.163 23.295 -0.730 1.00 0.00 C ATOM 0 H LEU A 61 4.814 20.076 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 61 4.393 21.892 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.185 21.942 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.107 23.208 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 61 4.069 22.411 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.997 24.837 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.643 24.180 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.184 25.080 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.361 23.765 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.440 23.938 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.822 22.332 -1.110 1.00 0.00 H new ATOM 917 N GLU A 62 6.231 21.423 -3.786 1.00 0.00 N ATOM 918 CA GLU A 62 7.262 21.088 -4.753 1.00 0.00 C ATOM 919 C GLU A 62 8.163 22.298 -5.008 1.00 0.00 C ATOM 920 O GLU A 62 8.583 22.535 -6.140 1.00 0.00 O ATOM 921 CB GLU A 62 6.646 20.578 -6.057 1.00 0.00 C ATOM 922 CG GLU A 62 5.761 19.356 -5.804 1.00 0.00 C ATOM 923 CD GLU A 62 6.483 18.065 -6.195 1.00 0.00 C ATOM 924 OE1 GLU A 62 7.732 18.080 -6.157 1.00 0.00 O ATOM 925 OE2 GLU A 62 5.769 17.093 -6.523 1.00 0.00 O ATOM 0 H GLU A 62 5.494 22.031 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 62 7.873 20.285 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.056 21.370 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.437 20.319 -6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.482 19.316 -4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.837 19.447 -6.375 1.00 0.00 H new ATOM 932 N GLU A 63 8.432 23.032 -3.939 1.00 0.00 N ATOM 933 CA GLU A 63 9.275 24.211 -4.033 1.00 0.00 C ATOM 934 C GLU A 63 8.587 25.290 -4.871 1.00 0.00 C ATOM 935 O GLU A 63 8.103 26.285 -4.333 1.00 0.00 O ATOM 936 CB GLU A 63 10.647 23.860 -4.612 1.00 0.00 C ATOM 937 CG GLU A 63 11.416 22.927 -3.673 1.00 0.00 C ATOM 938 CD GLU A 63 12.838 23.438 -3.436 1.00 0.00 C ATOM 939 OE1 GLU A 63 13.579 23.539 -4.438 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.153 23.716 -2.259 1.00 0.00 O ATOM 0 H GLU A 63 8.081 22.833 -3.002 1.00 0.00 H new ATOM 0 HA GLU A 63 9.431 24.603 -3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.524 23.383 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.221 24.772 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.890 22.849 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.452 21.925 -4.100 1.00 0.00 H new ATOM 947 N ASN A 64 8.565 25.057 -6.175 1.00 0.00 N ATOM 948 CA ASN A 64 7.944 25.997 -7.093 1.00 0.00 C ATOM 949 C ASN A 64 6.445 26.077 -6.797 1.00 0.00 C ATOM 950 O ASN A 64 5.829 27.127 -6.974 1.00 0.00 O ATOM 951 CB ASN A 64 8.115 25.544 -8.545 1.00 0.00 C ATOM 952 CG ASN A 64 9.583 25.248 -8.857 1.00 0.00 C ATOM 953 OD1 ASN A 64 10.454 25.328 -8.007 1.00 0.00 O ATOM 954 ND2 ASN A 64 9.808 24.902 -10.122 1.00 0.00 N ATOM 0 H ASN A 64 8.967 24.231 -6.618 1.00 0.00 H new ATOM 0 HA ASN A 64 8.424 26.966 -6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.514 24.652 -8.725 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.745 26.318 -9.217 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.756 24.684 -10.430 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.033 24.854 -10.783 1.00 0.00 H new ATOM 961 N GLY A 65 5.901 24.955 -6.351 1.00 0.00 N ATOM 962 CA GLY A 65 4.486 24.885 -6.028 1.00 0.00 C ATOM 963 C GLY A 65 4.190 23.693 -5.116 1.00 0.00 C ATOM 964 O GLY A 65 4.870 23.491 -4.111 1.00 0.00 O ATOM 0 H GLY A 65 6.415 24.086 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.175 25.808 -5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.904 24.799 -6.945 1.00 0.00 H new ATOM 968 N GLU A 66 3.173 22.934 -5.499 1.00 0.00 N ATOM 969 CA GLU A 66 2.778 21.768 -4.728 1.00 0.00 C ATOM 970 C GLU A 66 1.990 20.794 -5.605 1.00 0.00 C ATOM 971 O GLU A 66 1.660 21.109 -6.748 1.00 0.00 O ATOM 972 CB GLU A 66 1.969 22.174 -3.495 1.00 0.00 C ATOM 973 CG GLU A 66 0.505 22.430 -3.860 1.00 0.00 C ATOM 974 CD GLU A 66 0.393 23.458 -4.987 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.404 24.664 -4.658 1.00 0.00 O ATOM 976 OE2 GLU A 66 0.300 23.015 -6.152 1.00 0.00 O ATOM 0 H GLU A 66 2.611 23.104 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 66 3.680 21.264 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.028 21.388 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.400 23.072 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.034 21.496 -4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.035 22.786 -2.983 1.00 0.00 H new ATOM 983 N ARG A 67 1.710 19.630 -5.038 1.00 0.00 N ATOM 984 CA ARG A 67 0.966 18.607 -5.754 1.00 0.00 C ATOM 985 C ARG A 67 0.137 17.771 -4.777 1.00 0.00 C ATOM 986 O ARG A 67 0.581 17.487 -3.666 1.00 0.00 O ATOM 987 CB ARG A 67 1.907 17.686 -6.533 1.00 0.00 C ATOM 988 CG ARG A 67 1.131 16.548 -7.200 1.00 0.00 C ATOM 989 CD ARG A 67 1.858 16.048 -8.450 1.00 0.00 C ATOM 990 NE ARG A 67 0.880 15.745 -9.518 1.00 0.00 N ATOM 991 CZ ARG A 67 1.215 15.357 -10.756 1.00 0.00 C ATOM 992 NH1 ARG A 67 2.505 15.221 -11.089 1.00 0.00 N ATOM 993 NH2 ARG A 67 0.259 15.103 -11.660 1.00 0.00 N ATOM 0 H ARG A 67 1.985 19.372 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 67 0.304 19.110 -6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.440 18.261 -7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.658 17.273 -5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.005 15.726 -6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.132 16.893 -7.469 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.564 16.803 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.436 15.155 -8.212 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.112 15.837 -9.298 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.232 15.413 -10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.760 14.926 -12.031 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.723 15.205 -11.406 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.514 14.808 -12.602 1.00 0.00 H new ATOM 1007 N VAL A 68 -1.053 17.401 -5.227 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.948 16.603 -4.407 1.00 0.00 C ATOM 1009 C VAL A 68 -1.639 15.119 -4.616 1.00 0.00 C ATOM 1010 O VAL A 68 -2.086 14.521 -5.594 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.403 16.961 -4.719 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.364 16.186 -3.816 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.634 18.468 -4.600 1.00 0.00 C ATOM 0 H VAL A 68 -1.418 17.639 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.793 16.821 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.606 16.671 -5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.391 16.459 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.227 15.116 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.160 16.430 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.676 18.695 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.404 18.792 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.987 18.992 -5.303 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.877 14.569 -3.683 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.503 13.166 -3.753 1.00 0.00 C ATOM 1025 C LEU A 69 -1.764 12.302 -3.675 1.00 0.00 C ATOM 1026 O LEU A 69 -2.004 11.468 -4.547 1.00 0.00 O ATOM 1027 CB LEU A 69 0.537 12.835 -2.681 1.00 0.00 C ATOM 1028 CG LEU A 69 1.752 13.763 -2.616 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.637 13.423 -1.415 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.534 13.736 -3.930 1.00 0.00 C ATOM 0 H LEU A 69 -0.508 15.069 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.024 12.946 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.044 12.846 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.890 11.817 -2.848 1.00 0.00 H new ATOM 0 HG LEU A 69 1.395 14.783 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.493 14.097 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.062 13.535 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.987 12.394 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.392 14.404 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.880 12.721 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.888 14.063 -4.745 1.00 0.00 H new ATOM 1042 N MET A 70 -2.536 12.532 -2.623 1.00 0.00 N ATOM 1043 CA MET A 70 -3.765 11.785 -2.420 1.00 0.00 C ATOM 1044 C MET A 70 -4.886 12.699 -1.920 1.00 0.00 C ATOM 1045 O MET A 70 -4.680 13.498 -1.008 1.00 0.00 O ATOM 1046 CB MET A 70 -3.523 10.670 -1.401 1.00 0.00 C ATOM 1047 CG MET A 70 -4.838 10.001 -0.997 1.00 0.00 C ATOM 1048 SD MET A 70 -4.538 8.775 0.265 1.00 0.00 S ATOM 1049 CE MET A 70 -6.213 8.454 0.791 1.00 0.00 C ATOM 0 H MET A 70 -2.334 13.225 -1.902 1.00 0.00 H new ATOM 0 HA MET A 70 -4.069 11.357 -3.375 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.848 9.926 -1.824 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.033 11.080 -0.518 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.538 10.750 -0.628 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.300 9.534 -1.867 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.327 8.741 1.836 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.904 9.033 0.178 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.432 7.392 0.680 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.048 12.550 -2.539 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.201 13.352 -2.169 1.00 0.00 C ATOM 1061 C GLU A 71 -8.485 12.716 -2.705 1.00 0.00 C ATOM 1062 O GLU A 71 -8.460 12.021 -3.720 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.052 14.791 -2.668 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.303 15.613 -2.353 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.424 15.310 -3.350 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.096 15.174 -4.548 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -10.583 15.221 -2.891 1.00 0.00 O ATOM 0 H GLU A 71 -6.215 11.885 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.262 13.384 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.182 15.253 -2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.874 14.790 -3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.642 15.392 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.062 16.675 -2.384 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.576 12.976 -2.000 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.867 12.438 -2.393 1.00 0.00 C ATOM 1076 C GLY A 72 -11.776 12.248 -1.177 1.00 0.00 C ATOM 1077 O GLY A 72 -11.297 12.169 -0.047 1.00 0.00 O ATOM 0 H GLY A 72 -9.592 13.552 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.343 13.111 -3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.728 11.483 -2.900 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.071 12.181 -1.450 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.050 12.003 -0.392 1.00 0.00 C ATOM 1083 C LYS A 73 -14.054 10.538 0.052 1.00 0.00 C ATOM 1084 O LYS A 73 -14.449 9.657 -0.710 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.421 12.514 -0.840 1.00 0.00 C ATOM 1086 CG LYS A 73 -16.000 11.632 -1.948 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.521 12.481 -3.109 1.00 0.00 C ATOM 1088 CE LYS A 73 -15.724 12.211 -4.387 1.00 0.00 C ATOM 1089 NZ LYS A 73 -15.347 13.484 -5.041 1.00 0.00 N ATOM 0 H LYS A 73 -13.465 12.247 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.782 12.600 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.103 12.530 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.332 13.540 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.234 10.946 -2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.810 11.022 -1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -17.575 12.262 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.453 13.538 -2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.828 11.638 -4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.318 11.605 -5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.807 13.283 -5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.206 14.017 -5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.763 14.048 -4.392 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.611 10.325 1.282 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.559 8.983 1.836 1.00 0.00 C ATOM 1105 C LEU A 74 -14.898 8.283 1.592 1.00 0.00 C ATOM 1106 O LEU A 74 -15.855 8.907 1.138 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.147 9.026 3.309 1.00 0.00 C ATOM 1108 CG LEU A 74 -11.785 9.658 3.605 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -11.766 10.289 4.999 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.657 8.641 3.421 1.00 0.00 C ATOM 0 H LEU A 74 -13.285 11.059 1.911 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.793 8.393 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.908 9.575 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.144 8.007 3.695 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.616 10.459 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.787 10.731 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.531 11.063 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.966 9.523 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.700 9.116 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.808 7.803 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.658 8.279 2.393 1.00 0.00 H new ATOM 1122 N THR A 75 -14.922 6.996 1.906 1.00 0.00 N ATOM 1123 CA THR A 75 -16.127 6.204 1.727 1.00 0.00 C ATOM 1124 C THR A 75 -17.008 6.285 2.975 1.00 0.00 C ATOM 1125 O THR A 75 -18.232 6.354 2.872 1.00 0.00 O ATOM 1126 CB THR A 75 -15.707 4.776 1.372 1.00 0.00 C ATOM 1127 OG1 THR A 75 -14.958 4.343 2.504 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.700 4.732 0.220 1.00 0.00 C ATOM 0 H THR A 75 -14.126 6.482 2.283 1.00 0.00 H new ATOM 0 HA THR A 75 -16.737 6.591 0.911 1.00 0.00 H new ATOM 0 HB THR A 75 -16.589 4.193 1.106 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.162 3.857 2.203 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.435 3.696 0.008 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.143 5.182 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.804 5.286 0.499 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.352 6.274 4.126 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.061 6.346 5.392 1.00 0.00 C ATOM 1138 C HIS A 76 -16.504 7.500 6.228 1.00 0.00 C ATOM 1139 O HIS A 76 -15.547 8.159 5.823 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.003 5.003 6.124 1.00 0.00 C ATOM 1141 CG HIS A 76 -17.346 3.816 5.256 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -16.551 2.686 5.182 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -18.407 3.595 4.428 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -17.116 1.830 4.344 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -18.266 2.395 3.877 1.00 0.00 N ATOM 0 H HIS A 76 -15.337 6.216 4.208 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.116 6.551 5.210 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.001 4.865 6.531 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.689 5.032 6.970 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -15.678 2.537 5.687 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -19.223 4.280 4.251 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -16.733 0.856 4.077 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.126 7.710 7.378 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.705 8.774 8.274 1.00 0.00 C ATOM 1155 C LYS A 77 -15.661 8.228 9.251 1.00 0.00 C ATOM 1156 O LYS A 77 -15.490 7.016 9.368 1.00 0.00 O ATOM 1157 CB LYS A 77 -17.916 9.409 8.959 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.843 10.068 7.935 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.908 10.920 8.628 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.588 11.863 7.633 1.00 0.00 C ATOM 1161 NZ LYS A 77 -20.512 13.262 8.110 1.00 0.00 N ATOM 0 H LYS A 77 -17.919 7.161 7.711 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.228 9.578 7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.464 8.648 9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.581 10.152 9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.258 10.690 7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.324 9.301 7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.654 10.272 9.089 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.450 11.500 9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.109 11.779 6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.631 11.573 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.978 13.889 7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.989 13.341 9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.515 13.540 8.212 1.00 0.00 H new ATOM 1175 N ILE A 78 -14.992 9.150 9.927 1.00 0.00 N ATOM 1176 CA ILE A 78 -13.970 8.777 10.890 1.00 0.00 C ATOM 1177 C ILE A 78 -14.063 9.697 12.109 1.00 0.00 C ATOM 1178 O ILE A 78 -14.994 10.493 12.220 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.590 8.768 10.231 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.299 10.106 9.549 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.451 7.590 9.264 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.289 10.925 10.355 1.00 0.00 C ATOM 0 H ILE A 78 -15.138 10.155 9.827 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.135 7.760 11.245 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.841 8.634 11.011 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.911 9.930 8.546 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.225 10.671 9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.461 7.607 8.809 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.584 6.655 9.808 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.209 7.667 8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.100 11.871 9.848 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.690 11.120 11.350 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.356 10.368 10.443 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.086 9.556 12.993 1.00 0.00 N ATOM 1195 CA ASN A 79 -13.047 10.365 14.200 1.00 0.00 C ATOM 1196 C ASN A 79 -11.862 11.330 14.123 1.00 0.00 C ATOM 1197 O ASN A 79 -10.819 11.087 14.728 1.00 0.00 O ATOM 1198 CB ASN A 79 -12.866 9.491 15.443 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.376 10.207 16.695 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -12.874 11.244 17.097 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.399 9.597 17.287 1.00 0.00 N ATOM 0 H ASN A 79 -12.316 8.894 12.898 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.990 10.906 14.275 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.403 8.551 15.313 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.812 9.241 15.566 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.811 9.995 18.131 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.771 8.731 16.897 1.00 0.00 H new ATOM 1208 N THR A 80 -12.062 12.404 13.374 1.00 0.00 N ATOM 1209 CA THR A 80 -11.023 13.406 13.211 1.00 0.00 C ATOM 1210 C THR A 80 -10.424 13.780 14.568 1.00 0.00 C ATOM 1211 O THR A 80 -9.292 14.255 14.641 1.00 0.00 O ATOM 1212 CB THR A 80 -11.628 14.598 12.465 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.682 15.041 13.317 1.00 0.00 O ATOM 1214 CG2 THR A 80 -12.340 14.182 11.177 1.00 0.00 C ATOM 0 H THR A 80 -12.928 12.602 12.873 1.00 0.00 H new ATOM 0 HA THR A 80 -10.192 13.021 12.619 1.00 0.00 H new ATOM 0 HB THR A 80 -10.842 15.316 12.230 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.128 15.813 12.911 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.751 15.065 10.687 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.629 13.694 10.510 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.148 13.490 11.415 1.00 0.00 H new ATOM 1222 N GLU A 81 -11.210 13.550 15.609 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.771 13.857 16.960 1.00 0.00 C ATOM 1224 C GLU A 81 -9.720 12.844 17.419 1.00 0.00 C ATOM 1225 O GLU A 81 -8.726 13.214 18.041 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.957 13.893 17.927 1.00 0.00 C ATOM 1227 CG GLU A 81 -11.706 12.990 19.136 1.00 0.00 C ATOM 1228 CD GLU A 81 -10.648 13.594 20.061 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -10.028 14.593 19.638 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -10.483 13.042 21.171 1.00 0.00 O ATOM 0 H GLU A 81 -12.148 13.155 15.545 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.316 14.848 16.958 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.127 14.916 18.262 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.862 13.572 17.411 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.636 12.846 19.686 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.380 12.006 18.798 1.00 0.00 H new ATOM 1237 N SER A 82 -9.977 11.585 17.095 1.00 0.00 N ATOM 1238 CA SER A 82 -9.066 10.516 17.467 1.00 0.00 C ATOM 1239 C SER A 82 -8.095 10.234 16.319 1.00 0.00 C ATOM 1240 O SER A 82 -7.131 9.488 16.486 1.00 0.00 O ATOM 1241 CB SER A 82 -9.831 9.244 17.840 1.00 0.00 C ATOM 1242 OG SER A 82 -9.416 8.721 19.099 1.00 0.00 O ATOM 0 H SER A 82 -10.803 11.282 16.579 1.00 0.00 H new ATOM 0 HA SER A 82 -8.501 10.837 18.342 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.899 9.459 17.871 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.680 8.490 17.067 1.00 0.00 H new ATOM 0 HG SER A 82 -9.929 7.911 19.302 1.00 0.00 H new ATOM 1248 N SER A 83 -8.383 10.844 15.179 1.00 0.00 N ATOM 1249 CA SER A 83 -7.547 10.668 14.003 1.00 0.00 C ATOM 1250 C SER A 83 -6.337 11.602 14.076 1.00 0.00 C ATOM 1251 O SER A 83 -6.418 12.683 14.657 1.00 0.00 O ATOM 1252 CB SER A 83 -8.339 10.925 12.720 1.00 0.00 C ATOM 1253 OG SER A 83 -9.630 10.323 12.760 1.00 0.00 O ATOM 0 H SER A 83 -9.184 11.461 15.044 1.00 0.00 H new ATOM 0 HA SER A 83 -7.200 9.635 13.982 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.444 11.999 12.568 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.784 10.535 11.867 1.00 0.00 H new ATOM 0 HG SER A 83 -9.919 10.231 13.692 1.00 0.00 H new ATOM 1259 N LEU A 84 -5.244 11.150 13.479 1.00 0.00 N ATOM 1260 CA LEU A 84 -4.020 11.932 13.469 1.00 0.00 C ATOM 1261 C LEU A 84 -3.281 11.699 12.149 1.00 0.00 C ATOM 1262 O LEU A 84 -3.745 10.939 11.301 1.00 0.00 O ATOM 1263 CB LEU A 84 -3.177 11.624 14.708 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.213 10.442 14.586 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -0.776 10.925 14.377 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -2.334 9.509 15.793 1.00 0.00 C ATOM 0 H LEU A 84 -5.181 10.252 12.999 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.248 12.996 13.523 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.600 12.513 14.961 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.851 11.433 15.543 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.490 9.865 13.704 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.112 10.065 14.293 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.720 11.517 13.463 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.471 11.538 15.225 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.638 8.677 15.681 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.098 10.060 16.704 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.352 9.124 15.855 1.00 0.00 H new ATOM 1278 N TRP A 85 -2.144 12.366 12.018 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.337 12.241 10.816 1.00 0.00 C ATOM 1280 C TRP A 85 0.052 12.806 11.119 1.00 0.00 C ATOM 1281 O TRP A 85 0.176 13.921 11.623 1.00 0.00 O ATOM 1282 CB TRP A 85 -2.015 12.924 9.627 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.674 14.409 9.485 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -2.316 15.457 10.018 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.575 14.970 8.737 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.714 16.649 9.669 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.621 16.344 8.865 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.425 14.339 7.977 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.305 17.202 8.261 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.344 15.211 7.379 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.310 16.595 7.498 1.00 0.00 C ATOM 0 H TRP A 85 -1.762 12.995 12.724 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.232 11.195 10.528 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.728 12.407 8.712 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -3.095 12.818 9.728 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -3.194 15.379 10.642 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -2.015 17.582 9.949 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.480 13.266 7.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.248 18.274 8.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.134 14.777 6.784 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.056 17.200 7.004 1.00 0.00 H new ATOM 1302 N SER A 86 1.062 12.011 10.797 1.00 0.00 N ATOM 1303 CA SER A 86 2.438 12.418 11.028 1.00 0.00 C ATOM 1304 C SER A 86 3.190 12.499 9.698 1.00 0.00 C ATOM 1305 O SER A 86 2.839 11.812 8.740 1.00 0.00 O ATOM 1306 CB SER A 86 3.146 11.453 11.981 1.00 0.00 C ATOM 1307 OG SER A 86 4.096 12.119 12.807 1.00 0.00 O ATOM 0 H SER A 86 0.955 11.087 10.378 1.00 0.00 H new ATOM 0 HA SER A 86 2.429 13.404 11.494 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.406 10.955 12.608 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.649 10.677 11.404 1.00 0.00 H new ATOM 0 HG SER A 86 4.525 11.469 13.402 1.00 0.00 H new ATOM 1313 N LEU A 87 4.210 13.343 9.683 1.00 0.00 N ATOM 1314 CA LEU A 87 5.015 13.523 8.486 1.00 0.00 C ATOM 1315 C LEU A 87 6.433 13.012 8.749 1.00 0.00 C ATOM 1316 O LEU A 87 6.989 13.238 9.823 1.00 0.00 O ATOM 1317 CB LEU A 87 4.963 14.978 8.018 1.00 0.00 C ATOM 1318 CG LEU A 87 5.966 15.370 6.931 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.338 15.674 7.535 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.043 14.297 5.844 1.00 0.00 C ATOM 0 H LEU A 87 4.498 13.910 10.480 1.00 0.00 H new ATOM 0 HA LEU A 87 4.610 12.934 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.958 15.184 7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.124 15.623 8.882 1.00 0.00 H new ATOM 0 HG LEU A 87 5.614 16.285 6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.032 15.950 6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.250 16.499 8.242 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.712 14.790 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.763 14.600 5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.359 13.352 6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.062 14.172 5.386 1.00 0.00 H new ATOM 1332 N GLU A 88 6.978 12.334 7.750 1.00 0.00 N ATOM 1333 CA GLU A 88 8.321 11.789 7.860 1.00 0.00 C ATOM 1334 C GLU A 88 9.227 12.389 6.783 1.00 0.00 C ATOM 1335 O GLU A 88 8.851 12.449 5.613 1.00 0.00 O ATOM 1336 CB GLU A 88 8.302 10.262 7.772 1.00 0.00 C ATOM 1337 CG GLU A 88 7.512 9.656 8.934 1.00 0.00 C ATOM 1338 CD GLU A 88 8.425 8.837 9.850 1.00 0.00 C ATOM 1339 OE1 GLU A 88 9.566 9.298 10.073 1.00 0.00 O ATOM 1340 OE2 GLU A 88 7.962 7.770 10.306 1.00 0.00 O ATOM 0 H GLU A 88 6.514 12.149 6.860 1.00 0.00 H new ATOM 0 HA GLU A 88 8.723 12.059 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.857 9.954 6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.323 9.881 7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.034 10.451 9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.716 9.021 8.545 1.00 0.00 H new ATOM 1347 N PRO A 89 10.434 12.830 7.227 1.00 0.00 N ATOM 1348 CA PRO A 89 11.397 13.423 6.315 1.00 0.00 C ATOM 1349 C PRO A 89 12.067 12.352 5.452 1.00 0.00 C ATOM 1350 O PRO A 89 12.641 11.398 5.975 1.00 0.00 O ATOM 1351 CB PRO A 89 12.378 14.167 7.206 1.00 0.00 C ATOM 1352 CG PRO A 89 12.201 13.583 8.598 1.00 0.00 C ATOM 1353 CD PRO A 89 10.913 12.776 8.605 1.00 0.00 C ATOM 0 HA PRO A 89 10.934 14.103 5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.402 14.036 6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.174 15.238 7.203 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.050 12.950 8.857 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.157 14.378 9.343 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.091 11.749 8.922 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.183 13.201 9.295 1.00 0.00 H new ATOM 1361 N GLY A 90 11.971 12.545 4.145 1.00 0.00 N ATOM 1362 CA GLY A 90 12.561 11.608 3.204 1.00 0.00 C ATOM 1363 C GLY A 90 12.033 10.191 3.439 1.00 0.00 C ATOM 1364 O GLY A 90 12.802 9.231 3.446 1.00 0.00 O ATOM 0 H GLY A 90 11.493 13.337 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.335 11.920 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.646 11.618 3.307 1.00 0.00 H new ATOM 1368 N LYS A 91 10.724 10.105 3.625 1.00 0.00 N ATOM 1369 CA LYS A 91 10.084 8.821 3.860 1.00 0.00 C ATOM 1370 C LYS A 91 8.691 8.828 3.227 1.00 0.00 C ATOM 1371 O LYS A 91 8.555 8.661 2.016 1.00 0.00 O ATOM 1372 CB LYS A 91 10.080 8.489 5.353 1.00 0.00 C ATOM 1373 CG LYS A 91 11.351 7.736 5.751 1.00 0.00 C ATOM 1374 CD LYS A 91 11.036 6.284 6.117 1.00 0.00 C ATOM 1375 CE LYS A 91 12.057 5.736 7.116 1.00 0.00 C ATOM 1376 NZ LYS A 91 11.370 5.065 8.242 1.00 0.00 N ATOM 0 H LYS A 91 10.089 10.903 3.618 1.00 0.00 H new ATOM 0 HA LYS A 91 10.648 8.020 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.001 9.408 5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.205 7.885 5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.065 7.761 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.823 8.234 6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.035 6.222 6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.037 5.670 5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.722 5.032 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.678 6.548 7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.077 4.699 8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.753 5.747 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.796 4.277 7.879 1.00 0.00 H new ATOM 1390 N CYS A 92 7.692 9.021 4.076 1.00 0.00 N ATOM 1391 CA CYS A 92 6.314 9.051 3.615 1.00 0.00 C ATOM 1392 C CYS A 92 5.458 9.702 4.703 1.00 0.00 C ATOM 1393 O CYS A 92 5.909 9.870 5.835 1.00 0.00 O ATOM 1394 CB CYS A 92 5.809 7.654 3.251 1.00 0.00 C ATOM 1395 SG CYS A 92 6.577 6.405 4.347 1.00 0.00 S ATOM 0 H CYS A 92 7.809 9.158 5.080 1.00 0.00 H new ATOM 0 HA CYS A 92 6.246 9.640 2.700 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.724 7.615 3.346 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.047 7.432 2.211 1.00 0.00 H new ATOM 0 HG CYS A 92 6.139 5.222 4.031 1.00 0.00 H new ATOM 1401 N VAL A 93 4.239 10.052 4.321 1.00 0.00 N ATOM 1402 CA VAL A 93 3.315 10.681 5.250 1.00 0.00 C ATOM 1403 C VAL A 93 2.458 9.604 5.918 1.00 0.00 C ATOM 1404 O VAL A 93 2.074 8.626 5.279 1.00 0.00 O ATOM 1405 CB VAL A 93 2.485 11.742 4.525 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.465 12.381 5.470 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.385 12.804 3.890 1.00 0.00 C ATOM 0 H VAL A 93 3.869 9.912 3.381 1.00 0.00 H new ATOM 0 HA VAL A 93 3.860 11.198 6.040 1.00 0.00 H new ATOM 0 HB VAL A 93 1.935 11.247 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.888 13.132 4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.793 11.613 5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.986 12.854 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.769 13.546 3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.975 13.292 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.053 12.331 3.170 1.00 0.00 H new ATOM 1417 N LEU A 94 2.183 9.821 7.196 1.00 0.00 N ATOM 1418 CA LEU A 94 1.378 8.881 7.958 1.00 0.00 C ATOM 1419 C LEU A 94 0.058 9.548 8.351 1.00 0.00 C ATOM 1420 O LEU A 94 0.051 10.672 8.849 1.00 0.00 O ATOM 1421 CB LEU A 94 2.171 8.338 9.148 1.00 0.00 C ATOM 1422 CG LEU A 94 1.625 7.062 9.792 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.178 7.255 10.251 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.772 5.866 8.850 1.00 0.00 C ATOM 0 H LEU A 94 2.503 10.634 7.723 1.00 0.00 H new ATOM 0 HA LEU A 94 1.128 8.013 7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.193 8.148 8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.220 9.114 9.911 1.00 0.00 H new ATOM 0 HG LEU A 94 2.219 6.847 10.680 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.186 6.333 10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.133 8.062 10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.445 7.507 9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.376 4.972 9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.219 6.057 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.826 5.715 8.615 1.00 0.00 H new ATOM 1436 N VAL A 95 -1.027 8.826 8.112 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.349 9.334 8.435 1.00 0.00 C ATOM 1438 C VAL A 95 -3.160 8.232 9.121 1.00 0.00 C ATOM 1439 O VAL A 95 -3.600 7.284 8.472 1.00 0.00 O ATOM 1440 CB VAL A 95 -3.024 9.876 7.174 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.477 10.265 7.453 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.241 11.056 6.597 1.00 0.00 C ATOM 0 H VAL A 95 -1.017 7.894 7.699 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.278 10.168 9.133 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.028 9.081 6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.933 10.647 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.029 9.390 7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.506 11.036 8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.742 11.422 5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.190 11.855 7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.232 10.733 6.341 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.335 8.394 10.425 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.085 7.426 11.205 1.00 0.00 C ATOM 1454 C ASN A 96 -5.567 7.805 11.192 1.00 0.00 C ATOM 1455 O ASN A 96 -5.927 8.930 11.534 1.00 0.00 O ATOM 1456 CB ASN A 96 -3.615 7.408 12.661 1.00 0.00 C ATOM 1457 CG ASN A 96 -2.161 6.943 12.762 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -1.281 7.661 13.209 1.00 0.00 O ATOM 1459 ND2 ASN A 96 -1.958 5.704 12.323 1.00 0.00 N ATOM 0 H ASN A 96 -2.970 9.182 10.960 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.927 6.442 10.763 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.712 8.405 13.091 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.254 6.745 13.245 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.021 5.301 12.348 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.739 5.157 11.961 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.388 6.843 10.794 1.00 0.00 N ATOM 1467 CA LEU A 97 -7.823 7.062 10.731 1.00 0.00 C ATOM 1468 C LEU A 97 -8.512 6.196 11.787 1.00 0.00 C ATOM 1469 O LEU A 97 -8.453 4.969 11.724 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.339 6.828 9.310 1.00 0.00 C ATOM 1471 CG LEU A 97 -7.811 7.784 8.239 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.676 7.726 6.978 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -7.689 9.207 8.785 1.00 0.00 C ATOM 0 H LEU A 97 -6.086 5.910 10.512 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.061 8.100 10.964 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.086 5.809 9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.427 6.895 9.324 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.809 7.461 7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.279 8.415 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.667 6.713 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.699 8.009 7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.311 9.866 8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.668 9.556 9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.000 9.215 9.630 1.00 0.00 H new ATOM 1485 N SER A 98 -9.151 6.869 12.733 1.00 0.00 N ATOM 1486 CA SER A 98 -9.852 6.176 13.801 1.00 0.00 C ATOM 1487 C SER A 98 -11.315 5.958 13.411 1.00 0.00 C ATOM 1488 O SER A 98 -12.096 6.907 13.360 1.00 0.00 O ATOM 1489 CB SER A 98 -9.763 6.955 15.114 1.00 0.00 C ATOM 1490 OG SER A 98 -8.627 6.574 15.885 1.00 0.00 O ATOM 0 H SER A 98 -9.198 7.887 12.782 1.00 0.00 H new ATOM 0 HA SER A 98 -9.375 5.208 13.952 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.714 8.023 14.899 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.669 6.788 15.697 1.00 0.00 H new ATOM 0 HG SER A 98 -8.099 7.370 16.104 1.00 0.00 H new ATOM 1496 N LYS A 99 -11.643 4.701 13.147 1.00 0.00 N ATOM 1497 CA LYS A 99 -12.999 4.346 12.764 1.00 0.00 C ATOM 1498 C LYS A 99 -13.974 4.846 13.832 1.00 0.00 C ATOM 1499 O LYS A 99 -13.650 4.852 15.019 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.103 2.845 12.491 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.436 2.481 11.163 1.00 0.00 C ATOM 1502 CD LYS A 99 -12.939 1.132 10.647 1.00 0.00 C ATOM 1503 CE LYS A 99 -11.895 0.462 9.752 1.00 0.00 C ATOM 1504 NZ LYS A 99 -11.996 -1.011 9.850 1.00 0.00 N ATOM 0 H LYS A 99 -10.993 3.916 13.191 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.271 4.836 11.829 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.632 2.291 13.303 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.151 2.548 12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.641 3.256 10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.354 2.444 11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.172 0.481 11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.864 1.275 10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.040 0.774 8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.896 0.784 10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.559 -1.445 9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.503 -1.337 10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.997 -1.288 9.901 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.148 5.253 13.373 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.172 5.753 14.274 1.00 0.00 C ATOM 1520 C VAL A 100 -17.069 4.595 14.712 1.00 0.00 C ATOM 1521 O VAL A 100 -18.290 4.737 14.769 1.00 0.00 O ATOM 1522 CB VAL A 100 -16.947 6.891 13.606 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -16.045 8.104 13.370 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -17.589 6.422 12.298 1.00 0.00 C ATOM 0 H VAL A 100 -15.413 5.247 12.388 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.719 6.171 15.173 1.00 0.00 H new ATOM 0 HB VAL A 100 -17.746 7.195 14.282 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.620 8.898 12.894 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.656 8.459 14.324 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.215 7.820 12.723 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.134 7.249 11.843 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.813 6.079 11.614 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.278 5.603 12.504 1.00 0.00 H new ATOM 1534 N GLY A 101 -16.430 3.473 15.011 1.00 0.00 N ATOM 1535 CA GLY A 101 -17.156 2.291 15.443 1.00 0.00 C ATOM 1536 C GLY A 101 -16.751 1.068 14.618 1.00 0.00 C ATOM 1537 O GLY A 101 -15.897 1.163 13.738 1.00 0.00 O ATOM 0 H GLY A 101 -15.418 3.358 14.963 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.959 2.104 16.499 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -18.228 2.462 15.345 1.00 0.00 H new ATOM 1541 N GLU A 102 -17.385 -0.053 14.930 1.00 0.00 N ATOM 1542 CA GLU A 102 -17.102 -1.294 14.228 1.00 0.00 C ATOM 1543 C GLU A 102 -17.636 -1.227 12.796 1.00 0.00 C ATOM 1544 O GLU A 102 -18.808 -1.511 12.554 1.00 0.00 O ATOM 1545 CB GLU A 102 -17.686 -2.493 14.977 1.00 0.00 C ATOM 1546 CG GLU A 102 -16.812 -2.873 16.173 1.00 0.00 C ATOM 1547 CD GLU A 102 -17.288 -4.181 16.808 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -17.541 -5.128 16.032 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -17.388 -4.204 18.053 1.00 0.00 O ATOM 0 H GLU A 102 -18.094 -0.128 15.660 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.021 -1.427 14.185 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.693 -2.256 15.319 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.771 -3.343 14.300 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.776 -2.977 15.852 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.837 -2.075 16.915 1.00 0.00 H new ATOM 1556 N TYR A 103 -16.751 -0.850 11.885 1.00 0.00 N ATOM 1557 CA TYR A 103 -17.119 -0.743 10.484 1.00 0.00 C ATOM 1558 C TYR A 103 -16.140 -1.518 9.599 1.00 0.00 C ATOM 1559 O TYR A 103 -14.993 -1.741 9.983 1.00 0.00 O ATOM 1560 CB TYR A 103 -17.033 0.745 10.138 1.00 0.00 C ATOM 1561 CG TYR A 103 -18.252 1.558 10.578 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -19.365 1.628 9.765 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -18.239 2.221 11.788 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -20.513 2.393 10.179 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -19.387 2.986 12.203 1.00 0.00 C ATOM 1566 CZ TYR A 103 -20.467 3.034 11.377 1.00 0.00 C ATOM 1567 OH TYR A 103 -21.551 3.756 11.769 1.00 0.00 O ATOM 0 H TYR A 103 -15.780 -0.615 12.090 1.00 0.00 H new ATOM 0 HA TYR A 103 -18.114 -1.154 10.316 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -16.142 1.165 10.604 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -16.909 0.850 9.060 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -19.375 1.109 8.818 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -17.368 2.166 12.424 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -21.390 2.456 9.552 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -19.390 3.509 13.148 1.00 0.00 H new ATOM 0 HH TYR A 103 -21.377 4.158 12.646 1.00 0.00 H new ATOM 1577 N TRP A 104 -16.629 -1.907 8.430 1.00 0.00 N ATOM 1578 CA TRP A 104 -15.812 -2.652 7.488 1.00 0.00 C ATOM 1579 C TRP A 104 -15.462 -1.720 6.326 1.00 0.00 C ATOM 1580 O TRP A 104 -16.338 -1.323 5.558 1.00 0.00 O ATOM 1581 CB TRP A 104 -16.523 -3.929 7.037 1.00 0.00 C ATOM 1582 CG TRP A 104 -15.834 -4.646 5.873 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -15.869 -4.329 4.572 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -15.002 -5.822 5.960 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -15.123 -5.211 3.816 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -14.579 -6.147 4.687 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -14.619 -6.586 7.077 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -13.751 -7.242 4.411 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -13.791 -7.676 6.784 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -13.357 -8.017 5.508 1.00 0.00 C ATOM 0 H TRP A 104 -17.581 -1.720 8.114 1.00 0.00 H new ATOM 0 HA TRP A 104 -14.887 -2.985 7.958 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -16.591 -4.613 7.883 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -17.543 -3.681 6.745 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.413 -3.489 4.166 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -14.995 -5.181 2.805 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.938 -6.350 8.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -13.433 -7.476 3.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -13.467 -8.296 7.607 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -12.719 -8.876 5.364 1.00 0.00 H new ATOM 1601 N TRP A 105 -14.181 -1.397 6.233 1.00 0.00 N ATOM 1602 CA TRP A 105 -13.705 -0.519 5.178 1.00 0.00 C ATOM 1603 C TRP A 105 -13.190 -1.393 4.032 1.00 0.00 C ATOM 1604 O TRP A 105 -12.357 -2.274 4.244 1.00 0.00 O ATOM 1605 CB TRP A 105 -12.650 0.454 5.708 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.229 1.635 6.489 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.019 1.601 7.571 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.031 3.035 6.202 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.343 2.871 8.001 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -13.723 3.771 7.142 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.291 3.660 5.182 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.744 5.171 7.156 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.323 5.059 5.210 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -13.014 5.815 6.149 1.00 0.00 C ATOM 0 H TRP A 105 -13.457 -1.728 6.871 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.515 0.107 4.802 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -11.959 -0.090 6.352 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.069 0.836 4.869 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.359 0.693 8.047 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -14.929 3.106 8.802 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.742 3.104 4.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.294 5.724 7.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.771 5.589 4.447 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -12.988 6.894 6.103 1.00 0.00 H new ATOM 1625 N ASN A 106 -13.706 -1.119 2.843 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.308 -1.870 1.664 1.00 0.00 C ATOM 1627 C ASN A 106 -12.420 -0.991 0.781 1.00 0.00 C ATOM 1628 O ASN A 106 -11.819 -1.474 -0.177 1.00 0.00 O ATOM 1629 CB ASN A 106 -14.528 -2.288 0.840 1.00 0.00 C ATOM 1630 CG ASN A 106 -15.470 -1.103 0.615 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -15.358 -0.363 -0.349 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -16.401 -0.966 1.554 1.00 0.00 N ATOM 0 H ASN A 106 -14.396 -0.388 2.670 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.774 -2.761 1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.203 -2.686 -0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.061 -3.089 1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.078 -0.206 1.494 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.438 -1.621 2.335 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.366 0.285 1.135 1.00 0.00 N ATOM 1640 CA ALA A 107 -11.562 1.235 0.386 1.00 0.00 C ATOM 1641 C ALA A 107 -11.512 2.563 1.144 1.00 0.00 C ATOM 1642 O ALA A 107 -12.319 2.800 2.042 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.134 1.390 -1.024 1.00 0.00 C ATOM 0 H ALA A 107 -12.866 0.683 1.930 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.538 0.874 0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.530 2.103 -1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.120 0.425 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.160 1.753 -0.963 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.557 3.395 0.755 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.391 4.693 1.387 1.00 0.00 C ATOM 1651 C ILE A 108 -11.266 5.721 0.667 1.00 0.00 C ATOM 1652 O ILE A 108 -12.138 6.337 1.278 1.00 0.00 O ATOM 1653 CB ILE A 108 -8.911 5.077 1.444 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.082 3.966 2.091 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.720 6.421 2.149 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.036 4.132 3.612 1.00 0.00 C ATOM 0 H ILE A 108 -9.890 3.195 0.010 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.727 4.658 2.423 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.549 5.196 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.509 2.995 1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.069 3.982 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.659 6.670 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.261 7.196 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.103 6.355 3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.441 3.330 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.586 5.093 3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.049 4.091 4.013 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.003 5.876 -0.622 1.00 0.00 N ATOM 1669 CA LEU A 109 -11.755 6.819 -1.432 1.00 0.00 C ATOM 1670 C LEU A 109 -12.800 6.060 -2.253 1.00 0.00 C ATOM 1671 O LEU A 109 -12.750 4.834 -2.346 1.00 0.00 O ATOM 1672 CB LEU A 109 -10.808 7.671 -2.280 1.00 0.00 C ATOM 1673 CG LEU A 109 -9.713 8.418 -1.516 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -8.790 9.170 -2.477 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.316 9.344 -0.458 1.00 0.00 C ATOM 0 H LEU A 109 -10.279 5.364 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.296 7.520 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.333 7.025 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.402 8.401 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.102 7.684 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.021 9.692 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.319 8.462 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.372 9.893 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.516 9.863 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.965 10.074 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.897 8.756 0.252 1.00 0.00 H new ATOM 1687 N GLU A 110 -13.721 6.820 -2.826 1.00 0.00 N ATOM 1688 CA GLU A 110 -14.776 6.234 -3.635 1.00 0.00 C ATOM 1689 C GLU A 110 -14.216 5.766 -4.980 1.00 0.00 C ATOM 1690 O GLU A 110 -13.207 6.288 -5.451 1.00 0.00 O ATOM 1691 CB GLU A 110 -15.927 7.222 -3.835 1.00 0.00 C ATOM 1692 CG GLU A 110 -16.945 7.115 -2.698 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.318 7.624 -3.141 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.007 6.857 -3.847 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -18.648 8.770 -2.764 1.00 0.00 O ATOM 0 H GLU A 110 -13.759 7.836 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.172 5.367 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -15.535 8.238 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -16.419 7.025 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.025 6.078 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -16.599 7.691 -1.840 1.00 0.00 H new ATOM 1702 N GLY A 111 -14.896 4.788 -5.560 1.00 0.00 N ATOM 1703 CA GLY A 111 -14.479 4.244 -6.841 1.00 0.00 C ATOM 1704 C GLY A 111 -13.421 3.155 -6.656 1.00 0.00 C ATOM 1705 O GLY A 111 -13.535 2.071 -7.227 1.00 0.00 O ATOM 0 H GLY A 111 -15.733 4.358 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -15.342 3.832 -7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.079 5.042 -7.466 1.00 0.00 H new ATOM 1709 N GLU A 112 -12.417 3.480 -5.856 1.00 0.00 N ATOM 1710 CA GLU A 112 -11.340 2.542 -5.588 1.00 0.00 C ATOM 1711 C GLU A 112 -11.897 1.126 -5.424 1.00 0.00 C ATOM 1712 O GLU A 112 -12.633 0.851 -4.477 1.00 0.00 O ATOM 1713 CB GLU A 112 -10.540 2.963 -4.354 1.00 0.00 C ATOM 1714 CG GLU A 112 -9.209 2.211 -4.280 1.00 0.00 C ATOM 1715 CD GLU A 112 -9.122 1.376 -3.001 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -8.980 1.998 -1.926 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -9.200 0.135 -3.127 1.00 0.00 O ATOM 0 H GLU A 112 -12.326 4.380 -5.384 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.660 2.547 -6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.354 4.037 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.123 2.767 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.105 1.562 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -8.383 2.922 -4.311 1.00 0.00 H new ATOM 1724 N GLU A 113 -11.525 0.266 -6.360 1.00 0.00 N ATOM 1725 CA GLU A 113 -11.978 -1.114 -6.330 1.00 0.00 C ATOM 1726 C GLU A 113 -11.995 -1.637 -4.892 1.00 0.00 C ATOM 1727 O GLU A 113 -11.177 -1.229 -4.070 1.00 0.00 O ATOM 1728 CB GLU A 113 -11.105 -1.998 -7.224 1.00 0.00 C ATOM 1729 CG GLU A 113 -11.557 -1.918 -8.683 1.00 0.00 C ATOM 1730 CD GLU A 113 -10.845 -2.970 -9.536 1.00 0.00 C ATOM 1731 OE1 GLU A 113 -9.616 -3.111 -9.354 1.00 0.00 O ATOM 1732 OE2 GLU A 113 -11.545 -3.608 -10.351 1.00 0.00 O ATOM 0 H GLU A 113 -10.915 0.498 -7.144 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.995 -1.150 -6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.064 -1.686 -7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.155 -3.031 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.635 -2.066 -8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.350 -0.923 -9.078 1.00 0.00 H new ATOM 1739 N PRO A 114 -12.962 -2.556 -4.626 1.00 0.00 N ATOM 1740 CA PRO A 114 -13.097 -3.138 -3.302 1.00 0.00 C ATOM 1741 C PRO A 114 -11.996 -4.169 -3.042 1.00 0.00 C ATOM 1742 O PRO A 114 -11.384 -4.679 -3.979 1.00 0.00 O ATOM 1743 CB PRO A 114 -14.492 -3.740 -3.277 1.00 0.00 C ATOM 1744 CG PRO A 114 -14.911 -3.882 -4.732 1.00 0.00 C ATOM 1745 CD PRO A 114 -13.948 -3.063 -5.576 1.00 0.00 C ATOM 0 HA PRO A 114 -12.981 -2.403 -2.505 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -14.491 -4.707 -2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -15.184 -3.099 -2.732 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -14.889 -4.929 -5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -15.934 -3.531 -4.871 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -13.478 -3.674 -6.346 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -14.462 -2.248 -6.086 1.00 0.00 H new ATOM 1753 N ILE A 115 -11.779 -4.446 -1.765 1.00 0.00 N ATOM 1754 CA ILE A 115 -10.763 -5.407 -1.369 1.00 0.00 C ATOM 1755 C ILE A 115 -11.421 -6.767 -1.126 1.00 0.00 C ATOM 1756 O ILE A 115 -12.646 -6.868 -1.079 1.00 0.00 O ATOM 1757 CB ILE A 115 -9.970 -4.885 -0.170 1.00 0.00 C ATOM 1758 CG1 ILE A 115 -10.859 -4.775 1.070 1.00 0.00 C ATOM 1759 CG2 ILE A 115 -9.283 -3.558 -0.502 1.00 0.00 C ATOM 1760 CD1 ILE A 115 -10.074 -4.218 2.260 1.00 0.00 C ATOM 0 H ILE A 115 -12.289 -4.022 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.035 -5.543 -2.169 1.00 0.00 H new ATOM 0 HB ILE A 115 -9.185 -5.606 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.710 -4.128 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -11.261 -5.756 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.726 -3.209 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.598 -3.702 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -10.035 -2.817 -0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.729 -4.150 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.239 -4.880 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.694 -3.226 2.013 1.00 0.00 H new ATOM 1772 N ASP A 116 -10.578 -7.778 -0.979 1.00 0.00 N ATOM 1773 CA ASP A 116 -11.062 -9.127 -0.742 1.00 0.00 C ATOM 1774 C ASP A 116 -9.917 -9.988 -0.204 1.00 0.00 C ATOM 1775 O ASP A 116 -8.935 -10.229 -0.904 1.00 0.00 O ATOM 1776 CB ASP A 116 -11.566 -9.767 -2.037 1.00 0.00 C ATOM 1777 CG ASP A 116 -12.208 -11.146 -1.870 1.00 0.00 C ATOM 1778 OD1 ASP A 116 -13.228 -11.213 -1.150 1.00 0.00 O ATOM 1779 OD2 ASP A 116 -11.665 -12.100 -2.467 1.00 0.00 O ATOM 0 H ASP A 116 -9.563 -7.690 -1.019 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.881 -9.070 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.293 -9.098 -2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -10.730 -9.854 -2.731 1.00 0.00 H new ATOM 1784 N ILE A 117 -10.082 -10.428 1.035 1.00 0.00 N ATOM 1785 CA ILE A 117 -9.074 -11.257 1.674 1.00 0.00 C ATOM 1786 C ILE A 117 -9.320 -12.723 1.311 1.00 0.00 C ATOM 1787 O ILE A 117 -10.392 -13.262 1.579 1.00 0.00 O ATOM 1788 CB ILE A 117 -9.042 -10.995 3.181 1.00 0.00 C ATOM 1789 CG1 ILE A 117 -8.286 -9.703 3.497 1.00 0.00 C ATOM 1790 CG2 ILE A 117 -8.466 -12.195 3.935 1.00 0.00 C ATOM 1791 CD1 ILE A 117 -9.051 -8.481 2.985 1.00 0.00 C ATOM 0 H ILE A 117 -10.898 -10.226 1.613 1.00 0.00 H new ATOM 0 HA ILE A 117 -8.081 -10.999 1.307 1.00 0.00 H new ATOM 0 HB ILE A 117 -10.067 -10.861 3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -8.137 -9.619 4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.297 -9.735 3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.455 -11.982 5.004 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -9.083 -13.073 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.449 -12.386 3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -8.492 -7.576 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -9.177 -8.557 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -10.030 -8.438 3.462 1.00 0.00 H new ATOM 1803 N ASP A 118 -8.308 -13.326 0.704 1.00 0.00 N ATOM 1804 CA ASP A 118 -8.400 -14.719 0.301 1.00 0.00 C ATOM 1805 C ASP A 118 -7.661 -15.591 1.318 1.00 0.00 C ATOM 1806 O ASP A 118 -6.779 -15.109 2.029 1.00 0.00 O ATOM 1807 CB ASP A 118 -7.755 -14.940 -1.068 1.00 0.00 C ATOM 1808 CG ASP A 118 -8.358 -14.117 -2.208 1.00 0.00 C ATOM 1809 OD1 ASP A 118 -9.498 -14.445 -2.604 1.00 0.00 O ATOM 1810 OD2 ASP A 118 -7.667 -13.177 -2.657 1.00 0.00 O ATOM 0 H ASP A 118 -7.420 -12.875 0.482 1.00 0.00 H new ATOM 0 HA ASP A 118 -9.456 -14.985 0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -6.693 -14.707 -0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -7.832 -15.997 -1.323 1.00 0.00 H new ATOM 1815 N SER A 119 -8.046 -16.858 1.356 1.00 0.00 N ATOM 1816 CA SER A 119 -7.431 -17.800 2.274 1.00 0.00 C ATOM 1817 C SER A 119 -6.234 -18.478 1.604 1.00 0.00 C ATOM 1818 O SER A 119 -5.103 -18.353 2.072 1.00 0.00 O ATOM 1819 CB SER A 119 -8.440 -18.850 2.745 1.00 0.00 C ATOM 1820 OG SER A 119 -7.994 -19.532 3.913 1.00 0.00 O ATOM 0 H SER A 119 -8.777 -17.254 0.765 1.00 0.00 H new ATOM 0 HA SER A 119 -7.086 -17.249 3.149 1.00 0.00 H new ATOM 0 HB2 SER A 119 -9.396 -18.368 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 119 -8.611 -19.572 1.947 1.00 0.00 H new ATOM 0 HG SER A 119 -8.666 -20.192 4.183 1.00 0.00 H new ATOM 1826 N GLY A 120 -6.523 -19.181 0.519 1.00 0.00 N ATOM 1827 CA GLY A 120 -5.485 -19.879 -0.220 1.00 0.00 C ATOM 1828 C GLY A 120 -4.809 -18.947 -1.228 1.00 0.00 C ATOM 1829 O GLY A 120 -5.389 -17.942 -1.636 1.00 0.00 O ATOM 0 H GLY A 120 -7.462 -19.282 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -4.741 -20.272 0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -5.917 -20.733 -0.742 1.00 0.00 H new ATOM 1833 N PRO A 121 -3.559 -19.323 -1.610 1.00 0.00 N ATOM 1834 CA PRO A 121 -2.798 -18.532 -2.562 1.00 0.00 C ATOM 1835 C PRO A 121 -3.329 -18.726 -3.984 1.00 0.00 C ATOM 1836 O PRO A 121 -3.248 -19.822 -4.536 1.00 0.00 O ATOM 1837 CB PRO A 121 -1.360 -18.995 -2.397 1.00 0.00 C ATOM 1838 CG PRO A 121 -1.433 -20.343 -1.698 1.00 0.00 C ATOM 1839 CD PRO A 121 -2.840 -20.507 -1.147 1.00 0.00 C ATOM 0 HA PRO A 121 -2.881 -17.460 -2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -0.865 -19.083 -3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -0.785 -18.280 -1.808 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -1.200 -21.148 -2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -0.699 -20.396 -0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.305 -21.422 -1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.835 -20.567 -0.059 1.00 0.00 H new ATOM 1847 N SER A 122 -3.859 -17.645 -4.536 1.00 0.00 N ATOM 1848 CA SER A 122 -4.403 -17.682 -5.883 1.00 0.00 C ATOM 1849 C SER A 122 -3.714 -16.630 -6.754 1.00 0.00 C ATOM 1850 O SER A 122 -3.190 -15.641 -6.243 1.00 0.00 O ATOM 1851 CB SER A 122 -5.916 -17.455 -5.872 1.00 0.00 C ATOM 1852 OG SER A 122 -6.434 -17.252 -7.184 1.00 0.00 O ATOM 0 H SER A 122 -3.923 -16.737 -4.075 1.00 0.00 H new ATOM 0 HA SER A 122 -4.215 -18.671 -6.302 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.408 -18.314 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.148 -16.589 -5.252 1.00 0.00 H new ATOM 0 HG SER A 122 -7.403 -17.112 -7.135 1.00 0.00 H new ATOM 1858 N SER A 123 -3.737 -16.878 -8.055 1.00 0.00 N ATOM 1859 CA SER A 123 -3.122 -15.965 -9.003 1.00 0.00 C ATOM 1860 C SER A 123 -3.273 -16.506 -10.426 1.00 0.00 C ATOM 1861 O SER A 123 -2.487 -17.347 -10.861 1.00 0.00 O ATOM 1862 CB SER A 123 -1.644 -15.743 -8.674 1.00 0.00 C ATOM 1863 OG SER A 123 -1.450 -14.619 -7.819 1.00 0.00 O ATOM 0 H SER A 123 -4.172 -17.699 -8.475 1.00 0.00 H new ATOM 0 HA SER A 123 -3.631 -15.004 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 123 -1.241 -16.636 -8.196 1.00 0.00 H new ATOM 0 HB3 SER A 123 -1.085 -15.596 -9.598 1.00 0.00 H new ATOM 0 HG SER A 123 -1.891 -14.782 -6.959 1.00 0.00 H new ATOM 1869 N GLY A 124 -4.288 -16.003 -11.112 1.00 0.00 N ATOM 1870 CA GLY A 124 -4.553 -16.425 -12.477 1.00 0.00 C ATOM 1871 C GLY A 124 -4.758 -15.218 -13.394 1.00 0.00 C ATOM 1872 O GLY A 124 -5.135 -14.142 -12.935 1.00 0.00 O ATOM 0 H GLY A 124 -4.938 -15.306 -10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -3.722 -17.027 -12.843 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -5.440 -17.058 -12.500 1.00 0.00 H new TER 1876 GLY A 124