USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 700 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 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 43:sc= 0.00431 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= -0.0159 X(o=-0.016,f=-0.056) USER MOD Single : A 10 SER OG : rot -57:sc= 0.313 USER MOD Single : A 12 SER OG : rot 170:sc= 0.0454 USER MOD Single : A 13 THR OG1 : rot -170:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -47:sc= 1.08 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -4.55! C(o=-4.6!,f=-4.8!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 89:sc= 0.353 USER MOD Single : A 38 TYR OH : rot -30:sc= -0.266 USER MOD Single : A 39 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.0088) USER MOD Single : A 44 MET CE :methyl -179:sc= -3.3! (180deg=-3.31!) USER MOD Single : A 47 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 49:sc= -3.7! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc=-0.00962 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 MET CE :methyl -175:sc= 0 (180deg=-0.00468) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -84:sc= 1.19 USER MOD Single : A 81 GLN : amide:sc= -0.78 K(o=-0.78,f=-1.5) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0171) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.340 17.706 -18.334 1.00 0.00 N ATOM 2 CA GLY A 1 -30.427 18.502 -17.532 1.00 0.00 C ATOM 3 C GLY A 1 -31.088 18.944 -16.224 1.00 0.00 C ATOM 4 O GLY A 1 -32.028 19.738 -16.237 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.868 17.419 -19.215 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.622 16.859 -17.801 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.184 18.269 -18.561 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.530 17.922 -17.313 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.110 19.378 -18.098 1.00 0.00 H new ATOM 8 N SER A 2 -30.572 18.410 -15.127 1.00 0.00 N ATOM 9 CA SER A 2 -31.100 18.740 -13.814 1.00 0.00 C ATOM 10 C SER A 2 -29.961 19.157 -12.882 1.00 0.00 C ATOM 11 O SER A 2 -28.789 18.984 -13.211 1.00 0.00 O ATOM 12 CB SER A 2 -31.869 17.559 -13.218 1.00 0.00 C ATOM 13 OG SER A 2 -31.002 16.624 -12.582 1.00 0.00 O ATOM 0 H SER A 2 -29.794 17.751 -15.120 1.00 0.00 H new ATOM 0 HA SER A 2 -31.794 19.573 -13.923 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.597 17.928 -12.496 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.429 17.056 -14.006 1.00 0.00 H new ATOM 0 HG SER A 2 -31.531 15.886 -12.213 1.00 0.00 H new ATOM 19 N SER A 3 -30.346 19.698 -11.735 1.00 0.00 N ATOM 20 CA SER A 3 -29.373 20.141 -10.752 1.00 0.00 C ATOM 21 C SER A 3 -30.013 20.183 -9.363 1.00 0.00 C ATOM 22 O SER A 3 -31.223 20.010 -9.228 1.00 0.00 O ATOM 23 CB SER A 3 -28.807 21.515 -11.118 1.00 0.00 C ATOM 24 OG SER A 3 -27.486 21.426 -11.644 1.00 0.00 O ATOM 0 H SER A 3 -31.319 19.839 -11.465 1.00 0.00 H new ATOM 0 HA SER A 3 -28.548 19.429 -10.743 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.458 21.991 -11.851 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.803 22.152 -10.234 1.00 0.00 H new ATOM 0 HG SER A 3 -27.435 20.678 -12.276 1.00 0.00 H new ATOM 30 N GLY A 4 -29.171 20.413 -8.366 1.00 0.00 N ATOM 31 CA GLY A 4 -29.640 20.480 -6.992 1.00 0.00 C ATOM 32 C GLY A 4 -28.466 20.575 -6.016 1.00 0.00 C ATOM 33 O GLY A 4 -28.375 21.523 -5.238 1.00 0.00 O ATOM 0 H GLY A 4 -28.168 20.555 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.291 21.345 -6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.236 19.597 -6.764 1.00 0.00 H new ATOM 37 N SER A 5 -27.595 19.578 -6.089 1.00 0.00 N ATOM 38 CA SER A 5 -26.430 19.537 -5.222 1.00 0.00 C ATOM 39 C SER A 5 -25.351 20.486 -5.749 1.00 0.00 C ATOM 40 O SER A 5 -25.407 20.916 -6.900 1.00 0.00 O ATOM 41 CB SER A 5 -25.878 18.115 -5.108 1.00 0.00 C ATOM 42 OG SER A 5 -25.612 17.542 -6.386 1.00 0.00 O ATOM 0 H SER A 5 -27.673 18.793 -6.735 1.00 0.00 H new ATOM 0 HA SER A 5 -26.733 19.860 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.961 18.128 -4.518 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.593 17.490 -4.572 1.00 0.00 H new ATOM 0 HG SER A 5 -25.259 16.635 -6.271 1.00 0.00 H new ATOM 48 N SER A 6 -24.395 20.783 -4.882 1.00 0.00 N ATOM 49 CA SER A 6 -23.305 21.673 -5.246 1.00 0.00 C ATOM 50 C SER A 6 -22.036 20.862 -5.517 1.00 0.00 C ATOM 51 O SER A 6 -22.039 19.638 -5.393 1.00 0.00 O ATOM 52 CB SER A 6 -23.049 22.708 -4.149 1.00 0.00 C ATOM 53 OG SER A 6 -24.208 23.489 -3.870 1.00 0.00 O ATOM 0 H SER A 6 -24.352 20.424 -3.928 1.00 0.00 H new ATOM 0 HA SER A 6 -23.588 22.207 -6.153 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.727 22.200 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.234 23.365 -4.453 1.00 0.00 H new ATOM 0 HG SER A 6 -24.004 24.137 -3.163 1.00 0.00 H new ATOM 59 N GLY A 7 -20.982 21.577 -5.883 1.00 0.00 N ATOM 60 CA GLY A 7 -19.710 20.939 -6.173 1.00 0.00 C ATOM 61 C GLY A 7 -18.546 21.748 -5.596 1.00 0.00 C ATOM 62 O GLY A 7 -18.188 21.582 -4.431 1.00 0.00 O ATOM 0 H GLY A 7 -20.983 22.592 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.700 19.932 -5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.588 20.837 -7.251 1.00 0.00 H new ATOM 66 N GLN A 8 -17.990 22.607 -6.438 1.00 0.00 N ATOM 67 CA GLN A 8 -16.875 23.442 -6.026 1.00 0.00 C ATOM 68 C GLN A 8 -17.095 23.957 -4.602 1.00 0.00 C ATOM 69 O GLN A 8 -17.827 24.923 -4.393 1.00 0.00 O ATOM 70 CB GLN A 8 -16.669 24.602 -7.002 1.00 0.00 C ATOM 71 CG GLN A 8 -17.881 25.536 -7.008 1.00 0.00 C ATOM 72 CD GLN A 8 -18.244 25.955 -8.434 1.00 0.00 C ATOM 73 OE1 GLN A 8 -18.540 25.140 -9.292 1.00 0.00 O ATOM 74 NE2 GLN A 8 -18.204 27.268 -8.638 1.00 0.00 N ATOM 0 H GLN A 8 -18.291 22.743 -7.403 1.00 0.00 H new ATOM 0 HA GLN A 8 -15.969 22.836 -6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.776 25.161 -6.724 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -16.501 24.212 -8.006 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -18.732 25.037 -6.544 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -17.666 26.421 -6.409 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.948 27.895 -7.875 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.429 27.648 -9.557 1.00 0.00 H new ATOM 83 N ASP A 9 -16.447 23.289 -3.659 1.00 0.00 N ATOM 84 CA ASP A 9 -16.562 23.666 -2.261 1.00 0.00 C ATOM 85 C ASP A 9 -15.856 22.621 -1.394 1.00 0.00 C ATOM 86 O ASP A 9 -15.243 22.959 -0.383 1.00 0.00 O ATOM 87 CB ASP A 9 -18.028 23.728 -1.826 1.00 0.00 C ATOM 88 CG ASP A 9 -18.252 23.800 -0.314 1.00 0.00 C ATOM 89 OD1 ASP A 9 -17.880 22.817 0.362 1.00 0.00 O ATOM 90 OD2 ASP A 9 -18.789 24.837 0.131 1.00 0.00 O ATOM 0 H ASP A 9 -15.840 22.488 -3.836 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.107 24.649 -2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.492 24.599 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.544 22.849 -2.213 1.00 0.00 H new ATOM 95 N SER A 10 -15.965 21.372 -1.823 1.00 0.00 N ATOM 96 CA SER A 10 -15.345 20.276 -1.100 1.00 0.00 C ATOM 97 C SER A 10 -14.455 19.464 -2.042 1.00 0.00 C ATOM 98 O SER A 10 -14.947 18.637 -2.808 1.00 0.00 O ATOM 99 CB SER A 10 -16.400 19.373 -0.457 1.00 0.00 C ATOM 100 OG SER A 10 -17.714 19.909 -0.589 1.00 0.00 O ATOM 0 H SER A 10 -16.474 21.095 -2.663 1.00 0.00 H new ATOM 0 HA SER A 10 -14.731 20.697 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.363 18.386 -0.919 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.167 19.239 0.599 1.00 0.00 H new ATOM 0 HG SER A 10 -17.741 20.808 -0.200 1.00 0.00 H new ATOM 106 N ASP A 11 -13.159 19.728 -1.956 1.00 0.00 N ATOM 107 CA ASP A 11 -12.196 19.032 -2.792 1.00 0.00 C ATOM 108 C ASP A 11 -11.461 17.985 -1.952 1.00 0.00 C ATOM 109 O ASP A 11 -11.507 16.795 -2.258 1.00 0.00 O ATOM 110 CB ASP A 11 -11.155 20.001 -3.356 1.00 0.00 C ATOM 111 CG ASP A 11 -10.550 19.590 -4.699 1.00 0.00 C ATOM 112 OD1 ASP A 11 -11.044 18.589 -5.262 1.00 0.00 O ATOM 113 OD2 ASP A 11 -9.606 20.285 -5.134 1.00 0.00 O ATOM 0 H ASP A 11 -12.754 20.415 -1.320 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.738 18.566 -3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.617 20.982 -3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.350 20.109 -2.629 1.00 0.00 H new ATOM 118 N SER A 12 -10.799 18.467 -0.910 1.00 0.00 N ATOM 119 CA SER A 12 -10.056 17.588 -0.024 1.00 0.00 C ATOM 120 C SER A 12 -10.999 16.563 0.610 1.00 0.00 C ATOM 121 O SER A 12 -10.606 15.427 0.866 1.00 0.00 O ATOM 122 CB SER A 12 -9.331 18.385 1.062 1.00 0.00 C ATOM 123 OG SER A 12 -9.000 19.701 0.628 1.00 0.00 O ATOM 0 H SER A 12 -10.762 19.455 -0.660 1.00 0.00 H new ATOM 0 HA SER A 12 -9.305 17.064 -0.615 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.961 18.444 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.421 17.859 1.351 1.00 0.00 H new ATOM 0 HG SER A 12 -8.687 20.228 1.392 1.00 0.00 H new ATOM 129 N THR A 13 -12.227 17.003 0.844 1.00 0.00 N ATOM 130 CA THR A 13 -13.230 16.139 1.443 1.00 0.00 C ATOM 131 C THR A 13 -13.183 14.748 0.808 1.00 0.00 C ATOM 132 O THR A 13 -13.050 13.746 1.508 1.00 0.00 O ATOM 133 CB THR A 13 -14.590 16.825 1.304 1.00 0.00 C ATOM 134 OG1 THR A 13 -14.576 17.832 2.313 1.00 0.00 O ATOM 135 CG2 THR A 13 -15.750 15.912 1.704 1.00 0.00 C ATOM 0 H THR A 13 -12.550 17.946 0.630 1.00 0.00 H new ATOM 0 HA THR A 13 -13.036 15.984 2.504 1.00 0.00 H new ATOM 0 HB THR A 13 -14.727 17.154 0.274 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.472 18.220 2.401 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.692 16.448 1.587 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.754 15.028 1.066 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.632 15.609 2.744 1.00 0.00 H new ATOM 143 N ALA A 14 -13.296 14.731 -0.512 1.00 0.00 N ATOM 144 CA ALA A 14 -13.269 13.480 -1.250 1.00 0.00 C ATOM 145 C ALA A 14 -12.114 12.617 -0.738 1.00 0.00 C ATOM 146 O ALA A 14 -12.229 11.394 -0.675 1.00 0.00 O ATOM 147 CB ALA A 14 -13.159 13.773 -2.748 1.00 0.00 C ATOM 0 H ALA A 14 -13.407 15.564 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.192 12.922 -1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.139 12.834 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.017 14.364 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.242 14.329 -2.944 1.00 0.00 H new ATOM 153 N ALA A 15 -11.027 13.287 -0.386 1.00 0.00 N ATOM 154 CA ALA A 15 -9.852 12.596 0.118 1.00 0.00 C ATOM 155 C ALA A 15 -10.149 12.047 1.515 1.00 0.00 C ATOM 156 O ALA A 15 -9.829 10.897 1.814 1.00 0.00 O ATOM 157 CB ALA A 15 -8.655 13.549 0.108 1.00 0.00 C ATOM 0 H ALA A 15 -10.935 14.301 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.600 11.750 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.774 13.030 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.468 13.887 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.870 14.409 0.742 1.00 0.00 H new ATOM 163 N VAL A 16 -10.756 12.895 2.332 1.00 0.00 N ATOM 164 CA VAL A 16 -11.100 12.509 3.690 1.00 0.00 C ATOM 165 C VAL A 16 -11.975 11.254 3.653 1.00 0.00 C ATOM 166 O VAL A 16 -11.809 10.353 4.474 1.00 0.00 O ATOM 167 CB VAL A 16 -11.764 13.680 4.415 1.00 0.00 C ATOM 168 CG1 VAL A 16 -11.991 13.354 5.892 1.00 0.00 C ATOM 169 CG2 VAL A 16 -10.942 14.961 4.256 1.00 0.00 C ATOM 0 H VAL A 16 -11.018 13.848 2.080 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.202 12.262 4.256 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.738 13.848 3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.464 14.204 6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.637 12.480 5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.034 13.145 6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.437 15.778 4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.947 14.809 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.856 15.209 3.198 1.00 0.00 H new ATOM 179 N ALA A 17 -12.888 11.236 2.693 1.00 0.00 N ATOM 180 CA ALA A 17 -13.790 10.108 2.539 1.00 0.00 C ATOM 181 C ALA A 17 -13.011 8.909 1.992 1.00 0.00 C ATOM 182 O ALA A 17 -12.943 7.863 2.636 1.00 0.00 O ATOM 183 CB ALA A 17 -14.957 10.506 1.633 1.00 0.00 C ATOM 0 H ALA A 17 -13.022 11.985 2.014 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.209 9.818 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.633 9.659 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.495 11.342 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.575 10.801 0.656 1.00 0.00 H new ATOM 189 N VAL A 18 -12.443 9.102 0.811 1.00 0.00 N ATOM 190 CA VAL A 18 -11.672 8.050 0.171 1.00 0.00 C ATOM 191 C VAL A 18 -10.654 7.492 1.167 1.00 0.00 C ATOM 192 O VAL A 18 -10.501 6.277 1.289 1.00 0.00 O ATOM 193 CB VAL A 18 -11.026 8.580 -1.111 1.00 0.00 C ATOM 194 CG1 VAL A 18 -9.597 9.060 -0.846 1.00 0.00 C ATOM 195 CG2 VAL A 18 -11.054 7.524 -2.217 1.00 0.00 C ATOM 0 H VAL A 18 -12.501 9.971 0.281 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.322 7.227 -0.125 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.609 9.435 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.160 9.432 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.613 9.860 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.998 8.230 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.589 7.927 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.506 6.640 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.087 7.251 -2.434 1.00 0.00 H new ATOM 205 N LEU A 19 -9.983 8.405 1.853 1.00 0.00 N ATOM 206 CA LEU A 19 -8.984 8.020 2.835 1.00 0.00 C ATOM 207 C LEU A 19 -9.645 7.171 3.923 1.00 0.00 C ATOM 208 O LEU A 19 -9.156 6.092 4.256 1.00 0.00 O ATOM 209 CB LEU A 19 -8.258 9.254 3.374 1.00 0.00 C ATOM 210 CG LEU A 19 -7.238 9.897 2.433 1.00 0.00 C ATOM 211 CD1 LEU A 19 -6.599 11.130 3.076 1.00 0.00 C ATOM 212 CD2 LEU A 19 -6.191 8.879 1.980 1.00 0.00 C ATOM 0 H LEU A 19 -10.112 9.411 1.748 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.214 7.403 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.004 10.004 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.747 8.977 4.296 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.764 10.236 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.878 11.568 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.373 11.863 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.091 10.839 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.478 9.363 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.664 8.487 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.683 8.060 1.454 1.00 0.00 H new ATOM 224 N LYS A 20 -10.746 7.689 4.446 1.00 0.00 N ATOM 225 CA LYS A 20 -11.479 6.992 5.489 1.00 0.00 C ATOM 226 C LYS A 20 -11.798 5.571 5.019 1.00 0.00 C ATOM 227 O LYS A 20 -11.422 4.599 5.672 1.00 0.00 O ATOM 228 CB LYS A 20 -12.713 7.794 5.904 1.00 0.00 C ATOM 229 CG LYS A 20 -12.458 8.559 7.205 1.00 0.00 C ATOM 230 CD LYS A 20 -13.505 9.656 7.410 1.00 0.00 C ATOM 231 CE LYS A 20 -14.134 9.560 8.801 1.00 0.00 C ATOM 232 NZ LYS A 20 -15.568 9.208 8.698 1.00 0.00 N ATOM 0 H LYS A 20 -11.149 8.584 4.167 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.869 6.902 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.979 8.494 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.561 7.122 6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.480 7.868 8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.462 9.001 7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.041 10.634 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.281 9.570 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.611 8.809 9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.023 10.510 9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.980 9.147 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.067 9.939 8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.667 8.290 8.219 1.00 0.00 H new ATOM 246 N ARG A 21 -12.489 5.496 3.891 1.00 0.00 N ATOM 247 CA ARG A 21 -12.863 4.211 3.327 1.00 0.00 C ATOM 248 C ARG A 21 -11.639 3.298 3.228 1.00 0.00 C ATOM 249 O ARG A 21 -11.700 2.129 3.606 1.00 0.00 O ATOM 250 CB ARG A 21 -13.479 4.378 1.936 1.00 0.00 C ATOM 251 CG ARG A 21 -14.985 4.631 2.031 1.00 0.00 C ATOM 252 CD ARG A 21 -15.729 3.361 2.448 1.00 0.00 C ATOM 253 NE ARG A 21 -17.106 3.698 2.876 1.00 0.00 N ATOM 254 CZ ARG A 21 -18.064 2.791 3.105 1.00 0.00 C ATOM 255 NH1 ARG A 21 -17.803 1.486 2.950 1.00 0.00 N ATOM 256 NH2 ARG A 21 -19.285 3.188 3.490 1.00 0.00 N ATOM 0 H ARG A 21 -12.800 6.305 3.353 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.604 3.762 3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.999 5.209 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.294 3.483 1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.179 5.424 2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.361 4.977 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.760 2.658 1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.197 2.868 3.262 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.339 4.683 3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.874 1.183 2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.533 0.796 3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.485 4.181 3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.015 2.497 3.664 1.00 0.00 H new ATOM 270 N ALA A 22 -10.556 3.866 2.718 1.00 0.00 N ATOM 271 CA ALA A 22 -9.320 3.118 2.565 1.00 0.00 C ATOM 272 C ALA A 22 -8.979 2.429 3.888 1.00 0.00 C ATOM 273 O ALA A 22 -8.848 1.207 3.940 1.00 0.00 O ATOM 274 CB ALA A 22 -8.209 4.059 2.095 1.00 0.00 C ATOM 0 H ALA A 22 -10.509 4.836 2.405 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.432 2.342 1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.281 3.498 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.487 4.501 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.066 4.850 2.832 1.00 0.00 H new ATOM 280 N VAL A 23 -8.845 3.242 4.925 1.00 0.00 N ATOM 281 CA VAL A 23 -8.521 2.726 6.244 1.00 0.00 C ATOM 282 C VAL A 23 -9.360 1.475 6.517 1.00 0.00 C ATOM 283 O VAL A 23 -8.822 0.430 6.880 1.00 0.00 O ATOM 284 CB VAL A 23 -8.718 3.819 7.297 1.00 0.00 C ATOM 285 CG1 VAL A 23 -9.002 3.211 8.672 1.00 0.00 C ATOM 286 CG2 VAL A 23 -7.507 4.753 7.350 1.00 0.00 C ATOM 0 H VAL A 23 -8.955 4.255 4.879 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.472 2.432 6.292 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.586 4.411 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.138 4.009 9.402 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.908 2.606 8.622 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.163 2.584 8.973 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.672 5.521 8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.616 4.179 7.604 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.369 5.225 6.377 1.00 0.00 H new ATOM 296 N GLU A 24 -10.663 1.624 6.333 1.00 0.00 N ATOM 297 CA GLU A 24 -11.581 0.520 6.554 1.00 0.00 C ATOM 298 C GLU A 24 -11.143 -0.705 5.749 1.00 0.00 C ATOM 299 O GLU A 24 -10.861 -1.758 6.319 1.00 0.00 O ATOM 300 CB GLU A 24 -13.016 0.921 6.205 1.00 0.00 C ATOM 301 CG GLU A 24 -13.501 2.061 7.102 1.00 0.00 C ATOM 302 CD GLU A 24 -13.620 1.601 8.557 1.00 0.00 C ATOM 303 OE1 GLU A 24 -14.659 0.980 8.872 1.00 0.00 O ATOM 304 OE2 GLU A 24 -12.671 1.880 9.320 1.00 0.00 O ATOM 0 H GLU A 24 -11.105 2.493 6.033 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.558 0.262 7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.067 1.228 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.675 0.060 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.808 2.900 7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.468 2.419 6.750 1.00 0.00 H new ATOM 311 N LEU A 25 -11.098 -0.526 4.437 1.00 0.00 N ATOM 312 CA LEU A 25 -10.699 -1.604 3.548 1.00 0.00 C ATOM 313 C LEU A 25 -9.416 -2.248 4.079 1.00 0.00 C ATOM 314 O LEU A 25 -9.293 -3.472 4.095 1.00 0.00 O ATOM 315 CB LEU A 25 -10.581 -1.096 2.110 1.00 0.00 C ATOM 316 CG LEU A 25 -11.900 -0.793 1.396 1.00 0.00 C ATOM 317 CD1 LEU A 25 -11.677 0.138 0.203 1.00 0.00 C ATOM 318 CD2 LEU A 25 -12.613 -2.084 0.990 1.00 0.00 C ATOM 0 H LEU A 25 -11.331 0.349 3.968 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.462 -2.382 3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.976 -0.189 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.037 -1.839 1.527 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.554 -0.270 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.630 0.337 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.244 1.076 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.997 -0.335 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.547 -1.840 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.975 -2.656 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.826 -2.677 1.879 1.00 0.00 H new ATOM 330 N ASP A 26 -8.495 -1.396 4.502 1.00 0.00 N ATOM 331 CA ASP A 26 -7.226 -1.867 5.032 1.00 0.00 C ATOM 332 C ASP A 26 -7.487 -2.771 6.238 1.00 0.00 C ATOM 333 O ASP A 26 -6.781 -3.757 6.444 1.00 0.00 O ATOM 334 CB ASP A 26 -6.356 -0.698 5.497 1.00 0.00 C ATOM 335 CG ASP A 26 -4.902 -0.746 5.024 1.00 0.00 C ATOM 336 OD1 ASP A 26 -4.704 -1.043 3.826 1.00 0.00 O ATOM 337 OD2 ASP A 26 -4.020 -0.486 5.871 1.00 0.00 O ATOM 0 H ASP A 26 -8.601 -0.382 4.489 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.709 -2.408 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.806 0.231 5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.367 -0.667 6.587 1.00 0.00 H new ATOM 342 N ALA A 27 -8.504 -2.403 7.004 1.00 0.00 N ATOM 343 CA ALA A 27 -8.867 -3.169 8.185 1.00 0.00 C ATOM 344 C ALA A 27 -9.655 -4.410 7.760 1.00 0.00 C ATOM 345 O ALA A 27 -9.653 -5.420 8.461 1.00 0.00 O ATOM 346 CB ALA A 27 -9.655 -2.279 9.148 1.00 0.00 C ATOM 0 H ALA A 27 -9.088 -1.585 6.830 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.975 -3.509 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.927 -2.853 10.034 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.041 -1.428 9.442 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.559 -1.921 8.655 1.00 0.00 H new ATOM 352 N GLU A 28 -10.309 -4.293 6.614 1.00 0.00 N ATOM 353 CA GLU A 28 -11.099 -5.392 6.087 1.00 0.00 C ATOM 354 C GLU A 28 -10.210 -6.355 5.298 1.00 0.00 C ATOM 355 O GLU A 28 -10.696 -7.333 4.732 1.00 0.00 O ATOM 356 CB GLU A 28 -12.250 -4.875 5.222 1.00 0.00 C ATOM 357 CG GLU A 28 -13.240 -4.060 6.057 1.00 0.00 C ATOM 358 CD GLU A 28 -14.443 -4.913 6.467 1.00 0.00 C ATOM 359 OE1 GLU A 28 -14.864 -5.740 5.630 1.00 0.00 O ATOM 360 OE2 GLU A 28 -14.915 -4.717 7.607 1.00 0.00 O ATOM 0 H GLU A 28 -10.308 -3.453 6.035 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.534 -5.935 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.855 -4.258 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.766 -5.715 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.741 -3.676 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.580 -3.197 5.485 1.00 0.00 H new ATOM 367 N SER A 29 -8.922 -6.045 5.286 1.00 0.00 N ATOM 368 CA SER A 29 -7.960 -6.870 4.576 1.00 0.00 C ATOM 369 C SER A 29 -8.074 -6.628 3.069 1.00 0.00 C ATOM 370 O SER A 29 -7.409 -7.295 2.278 1.00 0.00 O ATOM 371 CB SER A 29 -8.166 -8.353 4.892 1.00 0.00 C ATOM 372 OG SER A 29 -9.052 -8.978 3.967 1.00 0.00 O ATOM 0 H SER A 29 -8.522 -5.233 5.757 1.00 0.00 H new ATOM 0 HA SER A 29 -6.960 -6.591 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.204 -8.864 4.874 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.564 -8.457 5.902 1.00 0.00 H new ATOM 0 HG SER A 29 -9.845 -8.416 3.842 1.00 0.00 H new ATOM 378 N ARG A 30 -8.922 -5.673 2.718 1.00 0.00 N ATOM 379 CA ARG A 30 -9.132 -5.335 1.321 1.00 0.00 C ATOM 380 C ARG A 30 -8.102 -4.299 0.865 1.00 0.00 C ATOM 381 O ARG A 30 -8.464 -3.193 0.467 1.00 0.00 O ATOM 382 CB ARG A 30 -10.539 -4.778 1.094 1.00 0.00 C ATOM 383 CG ARG A 30 -11.604 -5.818 1.451 1.00 0.00 C ATOM 384 CD ARG A 30 -12.983 -5.168 1.581 1.00 0.00 C ATOM 385 NE ARG A 30 -14.040 -6.197 1.460 1.00 0.00 N ATOM 386 CZ ARG A 30 -15.334 -5.922 1.244 1.00 0.00 C ATOM 387 NH1 ARG A 30 -15.738 -4.651 1.123 1.00 0.00 N ATOM 388 NH2 ARG A 30 -16.223 -6.920 1.149 1.00 0.00 N ATOM 0 H ARG A 30 -9.472 -5.122 3.377 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.017 -6.249 0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.682 -3.883 1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.652 -4.479 0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.634 -6.592 0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.339 -6.308 2.388 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.066 -4.661 2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.111 -4.410 0.808 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.767 -7.176 1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.061 -3.892 1.195 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.723 -4.442 0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.915 -7.888 1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.208 -6.712 0.985 1.00 0.00 H new ATOM 402 N TYR A 31 -6.840 -4.695 0.938 1.00 0.00 N ATOM 403 CA TYR A 31 -5.755 -3.814 0.538 1.00 0.00 C ATOM 404 C TYR A 31 -5.893 -3.408 -0.930 1.00 0.00 C ATOM 405 O TYR A 31 -5.610 -2.266 -1.291 1.00 0.00 O ATOM 406 CB TYR A 31 -4.469 -4.624 0.712 1.00 0.00 C ATOM 407 CG TYR A 31 -4.169 -5.011 2.162 1.00 0.00 C ATOM 408 CD1 TYR A 31 -4.247 -4.061 3.160 1.00 0.00 C ATOM 409 CD2 TYR A 31 -3.819 -6.310 2.471 1.00 0.00 C ATOM 410 CE1 TYR A 31 -3.965 -4.425 4.524 1.00 0.00 C ATOM 411 CE2 TYR A 31 -3.537 -6.674 3.836 1.00 0.00 C ATOM 412 CZ TYR A 31 -3.623 -5.714 4.795 1.00 0.00 C ATOM 413 OH TYR A 31 -3.357 -6.058 6.083 1.00 0.00 O ATOM 0 H TYR A 31 -6.544 -5.614 1.268 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.759 -2.903 1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.539 -5.531 0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.632 -4.046 0.320 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.520 -3.044 2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.757 -7.053 1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.024 -3.691 5.315 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.263 -7.687 4.092 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.128 -7.010 6.127 1.00 0.00 H new ATOM 423 N GLN A 32 -6.327 -4.364 -1.738 1.00 0.00 N ATOM 424 CA GLN A 32 -6.505 -4.120 -3.159 1.00 0.00 C ATOM 425 C GLN A 32 -7.445 -2.933 -3.380 1.00 0.00 C ATOM 426 O GLN A 32 -7.442 -2.324 -4.449 1.00 0.00 O ATOM 427 CB GLN A 32 -7.026 -5.371 -3.869 1.00 0.00 C ATOM 428 CG GLN A 32 -5.986 -5.918 -4.850 1.00 0.00 C ATOM 429 CD GLN A 32 -5.442 -4.805 -5.749 1.00 0.00 C ATOM 430 OE1 GLN A 32 -4.260 -4.730 -6.041 1.00 0.00 O ATOM 431 NE2 GLN A 32 -6.369 -3.949 -6.170 1.00 0.00 N ATOM 0 H GLN A 32 -6.561 -5.310 -1.435 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.534 -3.875 -3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.273 -6.135 -3.132 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.946 -5.134 -4.403 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.166 -6.378 -4.298 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.435 -6.699 -5.463 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.341 -4.071 -5.887 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.107 -3.171 -6.776 1.00 0.00 H new ATOM 440 N GLN A 33 -8.227 -2.640 -2.352 1.00 0.00 N ATOM 441 CA GLN A 33 -9.171 -1.537 -2.420 1.00 0.00 C ATOM 442 C GLN A 33 -8.669 -0.356 -1.585 1.00 0.00 C ATOM 443 O GLN A 33 -8.800 0.797 -1.992 1.00 0.00 O ATOM 444 CB GLN A 33 -10.563 -1.977 -1.965 1.00 0.00 C ATOM 445 CG GLN A 33 -11.143 -3.029 -2.912 1.00 0.00 C ATOM 446 CD GLN A 33 -12.662 -2.890 -3.024 1.00 0.00 C ATOM 447 OE1 GLN A 33 -13.425 -3.604 -2.394 1.00 0.00 O ATOM 448 NE2 GLN A 33 -13.058 -1.933 -3.858 1.00 0.00 N ATOM 0 H GLN A 33 -8.227 -3.147 -1.467 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.249 -1.216 -3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.508 -2.383 -0.955 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.226 -1.113 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.691 -2.924 -3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.891 -4.026 -2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.367 -1.371 -4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.053 -1.761 -4.001 1.00 0.00 H new ATOM 457 N ALA A 34 -8.104 -0.686 -0.433 1.00 0.00 N ATOM 458 CA ALA A 34 -7.581 0.332 0.463 1.00 0.00 C ATOM 459 C ALA A 34 -6.404 1.041 -0.210 1.00 0.00 C ATOM 460 O ALA A 34 -6.064 2.167 0.152 1.00 0.00 O ATOM 461 CB ALA A 34 -7.191 -0.311 1.795 1.00 0.00 C ATOM 0 H ALA A 34 -7.997 -1.644 -0.099 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.341 1.084 0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.799 0.453 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.068 -0.775 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.427 -1.070 1.623 1.00 0.00 H new ATOM 467 N LEU A 35 -5.814 0.353 -1.176 1.00 0.00 N ATOM 468 CA LEU A 35 -4.682 0.903 -1.902 1.00 0.00 C ATOM 469 C LEU A 35 -5.157 2.069 -2.772 1.00 0.00 C ATOM 470 O LEU A 35 -4.768 3.214 -2.548 1.00 0.00 O ATOM 471 CB LEU A 35 -3.964 -0.196 -2.687 1.00 0.00 C ATOM 472 CG LEU A 35 -2.601 0.179 -3.273 1.00 0.00 C ATOM 473 CD1 LEU A 35 -2.760 0.911 -4.607 1.00 0.00 C ATOM 474 CD2 LEU A 35 -1.777 0.989 -2.270 1.00 0.00 C ATOM 0 H LEU A 35 -6.099 -0.580 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.943 1.303 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.831 -1.056 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.613 -0.515 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.051 -0.741 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.776 1.166 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.280 0.266 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.338 1.823 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.813 1.242 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.311 1.904 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.619 0.398 -1.368 1.00 0.00 H new ATOM 486 N VAL A 36 -5.992 1.738 -3.746 1.00 0.00 N ATOM 487 CA VAL A 36 -6.524 2.743 -4.650 1.00 0.00 C ATOM 488 C VAL A 36 -7.116 3.894 -3.835 1.00 0.00 C ATOM 489 O VAL A 36 -6.856 5.061 -4.122 1.00 0.00 O ATOM 490 CB VAL A 36 -7.535 2.105 -5.606 1.00 0.00 C ATOM 491 CG1 VAL A 36 -7.062 0.723 -6.061 1.00 0.00 C ATOM 492 CG2 VAL A 36 -8.921 2.026 -4.964 1.00 0.00 C ATOM 0 H VAL A 36 -6.313 0.787 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.729 3.159 -5.269 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.610 2.741 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.798 0.292 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.106 0.817 -6.575 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.945 0.075 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.621 1.569 -5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.868 1.423 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.263 3.030 -4.712 1.00 0.00 H new ATOM 502 N CYS A 37 -7.903 3.524 -2.834 1.00 0.00 N ATOM 503 CA CYS A 37 -8.534 4.511 -1.975 1.00 0.00 C ATOM 504 C CYS A 37 -7.444 5.424 -1.410 1.00 0.00 C ATOM 505 O CYS A 37 -7.514 6.644 -1.556 1.00 0.00 O ATOM 506 CB CYS A 37 -9.358 3.852 -0.867 1.00 0.00 C ATOM 507 SG CYS A 37 -10.682 2.823 -1.599 1.00 0.00 S ATOM 0 H CYS A 37 -8.117 2.555 -2.599 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.238 5.106 -2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.713 3.237 -0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.794 4.616 -0.223 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.234 1.620 -1.803 1.00 0.00 H new ATOM 513 N TYR A 38 -6.462 4.799 -0.777 1.00 0.00 N ATOM 514 CA TYR A 38 -5.359 5.540 -0.190 1.00 0.00 C ATOM 515 C TYR A 38 -4.690 6.443 -1.228 1.00 0.00 C ATOM 516 O TYR A 38 -4.273 7.556 -0.912 1.00 0.00 O ATOM 517 CB TYR A 38 -4.350 4.491 0.282 1.00 0.00 C ATOM 518 CG TYR A 38 -4.578 4.009 1.716 1.00 0.00 C ATOM 519 CD1 TYR A 38 -4.928 4.912 2.699 1.00 0.00 C ATOM 520 CD2 TYR A 38 -4.432 2.672 2.027 1.00 0.00 C ATOM 521 CE1 TYR A 38 -5.142 4.459 4.049 1.00 0.00 C ATOM 522 CE2 TYR A 38 -4.646 2.219 3.377 1.00 0.00 C ATOM 523 CZ TYR A 38 -4.990 3.135 4.321 1.00 0.00 C ATOM 524 OH TYR A 38 -5.193 2.707 5.596 1.00 0.00 O ATOM 0 H TYR A 38 -6.407 3.787 -0.658 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.713 6.175 0.622 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.392 3.633 -0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.346 4.907 0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.041 5.958 2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.157 1.966 1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.417 5.155 4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.536 1.176 3.634 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.961 3.424 6.223 1.00 0.00 H new ATOM 534 N GLN A 39 -4.608 5.929 -2.447 1.00 0.00 N ATOM 535 CA GLN A 39 -3.997 6.675 -3.534 1.00 0.00 C ATOM 536 C GLN A 39 -4.937 7.783 -4.011 1.00 0.00 C ATOM 537 O GLN A 39 -4.491 8.880 -4.345 1.00 0.00 O ATOM 538 CB GLN A 39 -3.613 5.746 -4.688 1.00 0.00 C ATOM 539 CG GLN A 39 -2.787 4.560 -4.187 1.00 0.00 C ATOM 540 CD GLN A 39 -1.316 4.712 -4.578 1.00 0.00 C ATOM 541 OE1 GLN A 39 -0.898 4.362 -5.669 1.00 0.00 O ATOM 542 NE2 GLN A 39 -0.557 5.254 -3.629 1.00 0.00 N ATOM 0 H GLN A 39 -4.955 5.005 -2.706 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.082 7.137 -3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.514 5.383 -5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.043 6.302 -5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.873 4.485 -3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.184 3.634 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.971 5.525 -2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.439 5.399 -3.793 1.00 0.00 H new ATOM 551 N GLU A 40 -6.222 7.460 -4.029 1.00 0.00 N ATOM 552 CA GLU A 40 -7.229 8.414 -4.460 1.00 0.00 C ATOM 553 C GLU A 40 -7.153 9.685 -3.611 1.00 0.00 C ATOM 554 O GLU A 40 -7.264 10.793 -4.134 1.00 0.00 O ATOM 555 CB GLU A 40 -8.628 7.799 -4.401 1.00 0.00 C ATOM 556 CG GLU A 40 -8.715 6.549 -5.279 1.00 0.00 C ATOM 557 CD GLU A 40 -9.721 6.745 -6.415 1.00 0.00 C ATOM 558 OE1 GLU A 40 -10.931 6.772 -6.103 1.00 0.00 O ATOM 559 OE2 GLU A 40 -9.257 6.864 -7.570 1.00 0.00 O ATOM 0 H GLU A 40 -6.589 6.550 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.029 8.680 -5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.873 7.542 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.365 8.531 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.733 6.323 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.010 5.693 -4.671 1.00 0.00 H new ATOM 566 N GLY A 41 -6.964 9.483 -2.315 1.00 0.00 N ATOM 567 CA GLY A 41 -6.871 10.599 -1.389 1.00 0.00 C ATOM 568 C GLY A 41 -5.541 11.337 -1.551 1.00 0.00 C ATOM 569 O GLY A 41 -5.520 12.555 -1.722 1.00 0.00 O ATOM 0 H GLY A 41 -6.873 8.563 -1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.697 11.289 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.967 10.236 -0.366 1.00 0.00 H new ATOM 573 N ILE A 42 -4.463 10.569 -1.492 1.00 0.00 N ATOM 574 CA ILE A 42 -3.132 11.135 -1.630 1.00 0.00 C ATOM 575 C ILE A 42 -3.115 12.104 -2.815 1.00 0.00 C ATOM 576 O ILE A 42 -2.672 13.244 -2.682 1.00 0.00 O ATOM 577 CB ILE A 42 -2.085 10.024 -1.730 1.00 0.00 C ATOM 578 CG1 ILE A 42 -1.824 9.392 -0.361 1.00 0.00 C ATOM 579 CG2 ILE A 42 -0.798 10.539 -2.378 1.00 0.00 C ATOM 580 CD1 ILE A 42 -1.718 7.870 -0.471 1.00 0.00 C ATOM 0 H ILE A 42 -4.484 9.559 -1.350 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.869 11.711 -0.742 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.480 9.241 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.903 9.795 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.629 9.655 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.071 9.729 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.017 10.904 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.388 11.352 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.532 7.446 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.650 7.468 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.896 7.610 -1.138 1.00 0.00 H new ATOM 592 N ASP A 43 -3.602 11.615 -3.945 1.00 0.00 N ATOM 593 CA ASP A 43 -3.649 12.423 -5.152 1.00 0.00 C ATOM 594 C ASP A 43 -4.408 13.719 -4.863 1.00 0.00 C ATOM 595 O ASP A 43 -3.962 14.801 -5.242 1.00 0.00 O ATOM 596 CB ASP A 43 -4.378 11.689 -6.279 1.00 0.00 C ATOM 597 CG ASP A 43 -3.472 10.918 -7.241 1.00 0.00 C ATOM 598 OD1 ASP A 43 -2.633 11.584 -7.886 1.00 0.00 O ATOM 599 OD2 ASP A 43 -3.638 9.681 -7.310 1.00 0.00 O ATOM 0 H ASP A 43 -3.968 10.669 -4.051 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.624 12.628 -5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.090 10.992 -5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.956 12.415 -6.851 1.00 0.00 H new ATOM 604 N MET A 44 -5.542 13.567 -4.195 1.00 0.00 N ATOM 605 CA MET A 44 -6.367 14.713 -3.852 1.00 0.00 C ATOM 606 C MET A 44 -5.625 15.660 -2.907 1.00 0.00 C ATOM 607 O MET A 44 -5.561 16.864 -3.153 1.00 0.00 O ATOM 608 CB MET A 44 -7.656 14.231 -3.182 1.00 0.00 C ATOM 609 CG MET A 44 -8.623 13.644 -4.212 1.00 0.00 C ATOM 610 SD MET A 44 -10.211 13.342 -3.456 1.00 0.00 S ATOM 611 CE MET A 44 -10.112 11.575 -3.223 1.00 0.00 C ATOM 0 H MET A 44 -5.909 12.668 -3.882 1.00 0.00 H new ATOM 0 HA MET A 44 -6.602 15.255 -4.768 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.420 13.478 -2.430 1.00 0.00 H new ATOM 0 HB3 MET A 44 -8.133 15.062 -2.663 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.735 14.331 -5.051 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.219 12.714 -4.613 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.037 11.215 -2.774 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.964 11.089 -4.187 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.274 11.341 -2.566 1.00 0.00 H new ATOM 621 N LEU A 45 -5.082 15.081 -1.846 1.00 0.00 N ATOM 622 CA LEU A 45 -4.346 15.859 -0.864 1.00 0.00 C ATOM 623 C LEU A 45 -3.190 16.584 -1.556 1.00 0.00 C ATOM 624 O LEU A 45 -3.021 17.791 -1.390 1.00 0.00 O ATOM 625 CB LEU A 45 -3.906 14.971 0.302 1.00 0.00 C ATOM 626 CG LEU A 45 -5.029 14.339 1.125 1.00 0.00 C ATOM 627 CD1 LEU A 45 -4.610 12.970 1.665 1.00 0.00 C ATOM 628 CD2 LEU A 45 -5.487 15.280 2.241 1.00 0.00 C ATOM 0 H LEU A 45 -5.137 14.083 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.986 16.625 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.278 14.172 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.283 15.565 0.970 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.884 14.178 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.427 12.543 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.372 12.308 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.732 13.083 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.286 14.806 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.648 15.495 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.854 16.210 1.806 1.00 0.00 H new ATOM 640 N LEU A 46 -2.423 15.817 -2.318 1.00 0.00 N ATOM 641 CA LEU A 46 -1.288 16.371 -3.035 1.00 0.00 C ATOM 642 C LEU A 46 -1.664 17.745 -3.593 1.00 0.00 C ATOM 643 O LEU A 46 -1.032 18.747 -3.262 1.00 0.00 O ATOM 644 CB LEU A 46 -0.797 15.389 -4.100 1.00 0.00 C ATOM 645 CG LEU A 46 0.405 14.525 -3.713 1.00 0.00 C ATOM 646 CD1 LEU A 46 0.926 13.738 -4.917 1.00 0.00 C ATOM 647 CD2 LEU A 46 1.502 15.371 -3.063 1.00 0.00 C ATOM 0 H LEU A 46 -2.566 14.816 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.446 16.520 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.623 14.729 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.540 15.954 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 46 0.077 13.797 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.780 13.133 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.137 13.088 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.233 14.432 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.345 14.733 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.834 16.137 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.110 15.847 -2.164 1.00 0.00 H new ATOM 659 N GLN A 47 -2.692 17.748 -4.429 1.00 0.00 N ATOM 660 CA GLN A 47 -3.159 18.983 -5.036 1.00 0.00 C ATOM 661 C GLN A 47 -3.519 20.003 -3.953 1.00 0.00 C ATOM 662 O GLN A 47 -3.300 21.201 -4.127 1.00 0.00 O ATOM 663 CB GLN A 47 -4.350 18.723 -5.961 1.00 0.00 C ATOM 664 CG GLN A 47 -4.000 17.678 -7.023 1.00 0.00 C ATOM 665 CD GLN A 47 -4.357 18.179 -8.424 1.00 0.00 C ATOM 666 OE1 GLN A 47 -3.778 19.121 -8.940 1.00 0.00 O ATOM 667 NE2 GLN A 47 -5.340 17.500 -9.008 1.00 0.00 N ATOM 0 H GLN A 47 -3.215 16.915 -4.700 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.353 19.395 -5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.203 18.380 -5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.649 19.653 -6.445 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.936 17.448 -6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.536 16.751 -6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.782 16.721 -8.520 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.652 17.758 -9.944 1.00 0.00 H new ATOM 676 N VAL A 48 -4.065 19.491 -2.860 1.00 0.00 N ATOM 677 CA VAL A 48 -4.457 20.342 -1.750 1.00 0.00 C ATOM 678 C VAL A 48 -3.205 20.939 -1.104 1.00 0.00 C ATOM 679 O VAL A 48 -2.999 22.151 -1.145 1.00 0.00 O ATOM 680 CB VAL A 48 -5.319 19.552 -0.764 1.00 0.00 C ATOM 681 CG1 VAL A 48 -5.830 20.453 0.362 1.00 0.00 C ATOM 682 CG2 VAL A 48 -6.480 18.860 -1.482 1.00 0.00 C ATOM 0 H VAL A 48 -4.245 18.497 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.069 21.172 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.693 18.779 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.440 19.866 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.983 20.878 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.431 21.258 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.077 18.305 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.104 19.609 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.087 18.172 -2.231 1.00 0.00 H new ATOM 692 N LEU A 49 -2.401 20.061 -0.523 1.00 0.00 N ATOM 693 CA LEU A 49 -1.175 20.486 0.130 1.00 0.00 C ATOM 694 C LEU A 49 -0.458 21.507 -0.755 1.00 0.00 C ATOM 695 O LEU A 49 -0.142 22.608 -0.309 1.00 0.00 O ATOM 696 CB LEU A 49 -0.314 19.275 0.495 1.00 0.00 C ATOM 697 CG LEU A 49 0.837 19.538 1.468 1.00 0.00 C ATOM 698 CD1 LEU A 49 2.049 18.668 1.132 1.00 0.00 C ATOM 699 CD2 LEU A 49 1.192 21.026 1.507 1.00 0.00 C ATOM 0 H LEU A 49 -2.575 19.056 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.399 20.984 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.961 18.511 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.101 18.859 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 49 0.509 19.259 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.853 18.875 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.771 17.616 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.389 18.892 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.013 21.186 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.493 21.354 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.323 21.599 1.831 1.00 0.00 H new ATOM 711 N LYS A 50 -0.221 21.103 -1.995 1.00 0.00 N ATOM 712 CA LYS A 50 0.453 21.969 -2.948 1.00 0.00 C ATOM 713 C LYS A 50 -0.051 23.403 -2.773 1.00 0.00 C ATOM 714 O LYS A 50 0.742 24.341 -2.718 1.00 0.00 O ATOM 715 CB LYS A 50 0.292 21.429 -4.370 1.00 0.00 C ATOM 716 CG LYS A 50 1.573 20.740 -4.844 1.00 0.00 C ATOM 717 CD LYS A 50 2.156 19.851 -3.744 1.00 0.00 C ATOM 718 CE LYS A 50 2.816 18.605 -4.338 1.00 0.00 C ATOM 719 NZ LYS A 50 4.111 18.953 -4.964 1.00 0.00 N ATOM 0 H LYS A 50 -0.484 20.188 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 50 1.526 21.983 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.538 20.723 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.043 22.246 -5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.361 20.139 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.307 21.491 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.889 20.415 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.366 19.554 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.971 17.861 -3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.156 18.155 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.546 18.096 -5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.954 19.646 -5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.744 19.361 -4.247 1.00 0.00 H new ATOM 733 N GLY A 51 -1.367 23.527 -2.690 1.00 0.00 N ATOM 734 CA GLY A 51 -1.987 24.831 -2.523 1.00 0.00 C ATOM 735 C GLY A 51 -2.683 24.937 -1.165 1.00 0.00 C ATOM 736 O GLY A 51 -3.878 25.218 -1.096 1.00 0.00 O ATOM 0 H GLY A 51 -2.022 22.746 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.231 25.611 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.711 24.998 -3.321 1.00 0.00 H new ATOM 740 N THR A 52 -1.905 24.707 -0.117 1.00 0.00 N ATOM 741 CA THR A 52 -2.431 24.773 1.235 1.00 0.00 C ATOM 742 C THR A 52 -2.075 26.113 1.881 1.00 0.00 C ATOM 743 O THR A 52 -2.877 26.684 2.618 1.00 0.00 O ATOM 744 CB THR A 52 -1.900 23.565 2.009 1.00 0.00 C ATOM 745 OG1 THR A 52 -2.862 22.543 1.762 1.00 0.00 O ATOM 746 CG2 THR A 52 -1.955 23.769 3.524 1.00 0.00 C ATOM 0 H THR A 52 -0.914 24.475 -0.178 1.00 0.00 H new ATOM 0 HA THR A 52 -3.520 24.726 1.238 1.00 0.00 H new ATOM 0 HB THR A 52 -0.872 23.365 1.707 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.040 22.487 0.800 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.567 22.882 4.025 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.350 24.634 3.797 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.987 23.936 3.831 1.00 0.00 H new ATOM 754 N LYS A 53 -0.870 26.576 1.582 1.00 0.00 N ATOM 755 CA LYS A 53 -0.397 27.838 2.125 1.00 0.00 C ATOM 756 C LYS A 53 -0.174 27.689 3.631 1.00 0.00 C ATOM 757 O LYS A 53 0.960 27.753 4.104 1.00 0.00 O ATOM 758 CB LYS A 53 -1.354 28.972 1.754 1.00 0.00 C ATOM 759 CG LYS A 53 -0.584 30.198 1.256 1.00 0.00 C ATOM 760 CD LYS A 53 -0.386 31.215 2.382 1.00 0.00 C ATOM 761 CE LYS A 53 -0.787 32.620 1.928 1.00 0.00 C ATOM 762 NZ LYS A 53 -0.326 33.632 2.905 1.00 0.00 N ATOM 0 H LYS A 53 -0.207 26.100 0.971 1.00 0.00 H new ATOM 0 HA LYS A 53 0.564 28.106 1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.044 28.633 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.956 29.243 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.386 29.889 0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.126 30.663 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.981 30.925 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.657 31.215 2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.356 32.829 0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.870 32.678 1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.606 34.580 2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.757 33.441 3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.710 33.587 2.989 1.00 0.00 H new ATOM 776 N GLU A 54 -1.274 27.493 4.343 1.00 0.00 N ATOM 777 CA GLU A 54 -1.213 27.335 5.787 1.00 0.00 C ATOM 778 C GLU A 54 -0.003 26.483 6.176 1.00 0.00 C ATOM 779 O GLU A 54 -0.071 25.255 6.155 1.00 0.00 O ATOM 780 CB GLU A 54 -2.509 26.726 6.327 1.00 0.00 C ATOM 781 CG GLU A 54 -3.307 27.757 7.128 1.00 0.00 C ATOM 782 CD GLU A 54 -3.423 27.340 8.595 1.00 0.00 C ATOM 783 OE1 GLU A 54 -2.361 27.259 9.248 1.00 0.00 O ATOM 784 OE2 GLU A 54 -4.573 27.112 9.031 1.00 0.00 O ATOM 0 H GLU A 54 -2.213 27.440 3.947 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.099 28.321 6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.114 26.356 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.277 25.869 6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.822 28.731 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.302 27.866 6.697 1.00 0.00 H new ATOM 791 N SER A 55 1.076 27.169 6.524 1.00 0.00 N ATOM 792 CA SER A 55 2.299 26.490 6.918 1.00 0.00 C ATOM 793 C SER A 55 1.969 25.300 7.821 1.00 0.00 C ATOM 794 O SER A 55 2.554 24.227 7.677 1.00 0.00 O ATOM 795 CB SER A 55 3.255 27.449 7.631 1.00 0.00 C ATOM 796 OG SER A 55 2.722 27.910 8.870 1.00 0.00 O ATOM 0 H SER A 55 1.129 28.187 6.541 1.00 0.00 H new ATOM 0 HA SER A 55 2.795 26.128 6.018 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.206 26.947 7.810 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.461 28.302 6.985 1.00 0.00 H new ATOM 0 HG SER A 55 3.362 28.518 9.295 1.00 0.00 H new ATOM 802 N SER A 56 1.034 25.529 8.731 1.00 0.00 N ATOM 803 CA SER A 56 0.620 24.488 9.656 1.00 0.00 C ATOM 804 C SER A 56 -0.004 23.322 8.888 1.00 0.00 C ATOM 805 O SER A 56 0.486 22.195 8.958 1.00 0.00 O ATOM 806 CB SER A 56 -0.369 25.032 10.690 1.00 0.00 C ATOM 807 OG SER A 56 0.054 26.282 11.228 1.00 0.00 O ATOM 0 H SER A 56 0.551 26.420 8.848 1.00 0.00 H new ATOM 0 HA SER A 56 1.503 24.133 10.188 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.349 25.150 10.227 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.483 24.309 11.498 1.00 0.00 H new ATOM 0 HG SER A 56 -0.604 26.596 11.882 1.00 0.00 H new ATOM 813 N LYS A 57 -1.074 23.632 8.172 1.00 0.00 N ATOM 814 CA LYS A 57 -1.770 22.623 7.391 1.00 0.00 C ATOM 815 C LYS A 57 -0.748 21.796 6.607 1.00 0.00 C ATOM 816 O LYS A 57 -0.677 20.579 6.765 1.00 0.00 O ATOM 817 CB LYS A 57 -2.841 23.271 6.511 1.00 0.00 C ATOM 818 CG LYS A 57 -4.044 23.712 7.347 1.00 0.00 C ATOM 819 CD LYS A 57 -5.230 24.077 6.452 1.00 0.00 C ATOM 820 CE LYS A 57 -6.539 23.533 7.026 1.00 0.00 C ATOM 821 NZ LYS A 57 -7.143 24.511 7.958 1.00 0.00 N ATOM 0 H LYS A 57 -1.477 24.568 8.116 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.303 21.934 8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.419 24.132 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.164 22.565 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.331 22.911 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.770 24.570 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.295 25.161 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.072 23.674 5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.235 23.316 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.352 22.594 7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.031 24.125 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.484 24.698 8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.340 25.398 7.451 1.00 0.00 H new ATOM 835 N ARG A 58 0.019 22.492 5.780 1.00 0.00 N ATOM 836 CA ARG A 58 1.033 21.838 4.972 1.00 0.00 C ATOM 837 C ARG A 58 1.736 20.747 5.782 1.00 0.00 C ATOM 838 O ARG A 58 1.936 19.636 5.293 1.00 0.00 O ATOM 839 CB ARG A 58 2.073 22.843 4.473 1.00 0.00 C ATOM 840 CG ARG A 58 1.497 23.722 3.361 1.00 0.00 C ATOM 841 CD ARG A 58 2.241 25.057 3.277 1.00 0.00 C ATOM 842 NE ARG A 58 3.209 25.027 2.158 1.00 0.00 N ATOM 843 CZ ARG A 58 2.872 24.808 0.879 1.00 0.00 C ATOM 844 NH1 ARG A 58 1.590 24.598 0.550 1.00 0.00 N ATOM 845 NH2 ARG A 58 3.818 24.799 -0.070 1.00 0.00 N ATOM 0 H ARG A 58 -0.042 23.502 5.653 1.00 0.00 H new ATOM 0 HA ARG A 58 0.534 21.392 4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.405 23.469 5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.950 22.311 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.569 23.201 2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.438 23.903 3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.530 25.870 3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.762 25.252 4.214 1.00 0.00 H new ATOM 0 HE ARG A 58 4.194 25.183 2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.870 24.605 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.334 24.431 -0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.794 24.959 0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.562 24.632 -1.043 1.00 0.00 H new ATOM 859 N CYS A 59 2.092 21.102 7.008 1.00 0.00 N ATOM 860 CA CYS A 59 2.768 20.168 7.892 1.00 0.00 C ATOM 861 C CYS A 59 1.863 18.950 8.087 1.00 0.00 C ATOM 862 O CYS A 59 2.256 17.824 7.784 1.00 0.00 O ATOM 863 CB CYS A 59 3.143 20.819 9.224 1.00 0.00 C ATOM 864 SG CYS A 59 4.879 20.424 9.647 1.00 0.00 S ATOM 0 H CYS A 59 1.925 22.024 7.410 1.00 0.00 H new ATOM 0 HA CYS A 59 3.708 19.852 7.440 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.013 21.899 9.160 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.478 20.464 10.012 1.00 0.00 H new ATOM 0 HG CYS A 59 5.188 20.984 10.779 1.00 0.00 H new ATOM 870 N VAL A 60 0.667 19.216 8.591 1.00 0.00 N ATOM 871 CA VAL A 60 -0.298 18.156 8.830 1.00 0.00 C ATOM 872 C VAL A 60 -0.511 17.366 7.537 1.00 0.00 C ATOM 873 O VAL A 60 -0.461 16.137 7.542 1.00 0.00 O ATOM 874 CB VAL A 60 -1.594 18.745 9.391 1.00 0.00 C ATOM 875 CG1 VAL A 60 -2.618 17.644 9.675 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.320 19.576 10.647 1.00 0.00 C ATOM 0 H VAL A 60 0.344 20.151 8.841 1.00 0.00 H new ATOM 0 HA VAL A 60 0.077 17.459 9.579 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.015 19.408 8.636 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.530 18.089 10.073 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.847 17.113 8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.208 16.945 10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.258 19.983 11.026 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.865 18.944 11.409 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.642 20.394 10.402 1.00 0.00 H new ATOM 886 N LEU A 61 -0.744 18.104 6.462 1.00 0.00 N ATOM 887 CA LEU A 61 -0.965 17.487 5.165 1.00 0.00 C ATOM 888 C LEU A 61 0.213 16.568 4.835 1.00 0.00 C ATOM 889 O LEU A 61 0.036 15.362 4.667 1.00 0.00 O ATOM 890 CB LEU A 61 -1.228 18.555 4.101 1.00 0.00 C ATOM 891 CG LEU A 61 -2.611 19.210 4.136 1.00 0.00 C ATOM 892 CD1 LEU A 61 -2.602 20.549 3.397 1.00 0.00 C ATOM 893 CD2 LEU A 61 -3.680 18.261 3.591 1.00 0.00 C ATOM 0 H LEU A 61 -0.785 19.123 6.462 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.860 16.865 5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.475 19.336 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.086 18.104 3.119 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.865 19.418 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.597 20.993 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.885 21.221 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.318 20.389 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.653 18.750 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.443 18.000 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.706 17.356 4.198 1.00 0.00 H new ATOM 905 N ARG A 62 1.389 17.173 4.751 1.00 0.00 N ATOM 906 CA ARG A 62 2.595 16.424 4.444 1.00 0.00 C ATOM 907 C ARG A 62 2.683 15.174 5.323 1.00 0.00 C ATOM 908 O ARG A 62 3.258 14.165 4.918 1.00 0.00 O ATOM 909 CB ARG A 62 3.845 17.279 4.661 1.00 0.00 C ATOM 910 CG ARG A 62 4.173 18.097 3.410 1.00 0.00 C ATOM 911 CD ARG A 62 5.423 18.953 3.627 1.00 0.00 C ATOM 912 NE ARG A 62 6.520 18.478 2.755 1.00 0.00 N ATOM 913 CZ ARG A 62 7.381 17.507 3.091 1.00 0.00 C ATOM 914 NH1 ARG A 62 7.277 16.904 4.283 1.00 0.00 N ATOM 915 NH2 ARG A 62 8.345 17.141 2.236 1.00 0.00 N ATOM 0 H ARG A 62 1.532 18.173 4.890 1.00 0.00 H new ATOM 0 HA ARG A 62 2.545 16.132 3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.690 17.948 5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.690 16.638 4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.329 17.428 2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.328 18.738 3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.201 19.998 3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.731 18.904 4.672 1.00 0.00 H new ATOM 0 HE ARG A 62 6.628 18.917 1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.543 17.184 4.934 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.932 16.165 4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.424 17.601 1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.000 16.402 2.492 1.00 0.00 H new ATOM 929 N THR A 63 2.102 15.282 6.509 1.00 0.00 N ATOM 930 CA THR A 63 2.107 14.173 7.448 1.00 0.00 C ATOM 931 C THR A 63 1.011 13.167 7.091 1.00 0.00 C ATOM 932 O THR A 63 1.154 11.972 7.345 1.00 0.00 O ATOM 933 CB THR A 63 1.968 14.748 8.859 1.00 0.00 C ATOM 934 OG1 THR A 63 3.308 14.818 9.339 1.00 0.00 O ATOM 935 CG2 THR A 63 1.278 13.779 9.821 1.00 0.00 C ATOM 0 H THR A 63 1.625 16.120 6.841 1.00 0.00 H new ATOM 0 HA THR A 63 3.043 13.617 7.399 1.00 0.00 H new ATOM 0 HB THR A 63 1.405 15.680 8.817 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.311 15.182 10.249 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.205 14.236 10.808 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.278 13.550 9.452 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.859 12.859 9.890 1.00 0.00 H new ATOM 943 N LYS A 64 -0.058 13.688 6.508 1.00 0.00 N ATOM 944 CA LYS A 64 -1.178 12.850 6.113 1.00 0.00 C ATOM 945 C LYS A 64 -0.853 12.164 4.785 1.00 0.00 C ATOM 946 O LYS A 64 -0.885 10.938 4.692 1.00 0.00 O ATOM 947 CB LYS A 64 -2.473 13.665 6.083 1.00 0.00 C ATOM 948 CG LYS A 64 -3.317 13.400 7.332 1.00 0.00 C ATOM 949 CD LYS A 64 -4.671 14.106 7.238 1.00 0.00 C ATOM 950 CE LYS A 64 -4.736 15.296 8.198 1.00 0.00 C ATOM 951 NZ LYS A 64 -5.990 15.260 8.984 1.00 0.00 N ATOM 0 H LYS A 64 -0.173 14.680 6.299 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.341 12.062 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.237 14.727 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.046 13.411 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.470 12.327 7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.783 13.746 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.837 14.449 6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.470 13.402 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.878 15.276 8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.679 16.228 7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.018 16.074 9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.805 15.301 8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.029 14.379 9.535 1.00 0.00 H new ATOM 965 N ILE A 65 -0.548 12.984 3.791 1.00 0.00 N ATOM 966 CA ILE A 65 -0.217 12.471 2.472 1.00 0.00 C ATOM 967 C ILE A 65 0.807 11.343 2.610 1.00 0.00 C ATOM 968 O ILE A 65 0.517 10.193 2.284 1.00 0.00 O ATOM 969 CB ILE A 65 0.239 13.607 1.554 1.00 0.00 C ATOM 970 CG1 ILE A 65 -0.960 14.368 0.985 1.00 0.00 C ATOM 971 CG2 ILE A 65 1.162 13.084 0.452 1.00 0.00 C ATOM 972 CD1 ILE A 65 -0.638 15.854 0.816 1.00 0.00 C ATOM 0 H ILE A 65 -0.523 14.000 3.872 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.100 12.044 1.997 1.00 0.00 H new ATOM 0 HB ILE A 65 0.816 14.315 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.242 13.942 0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.817 14.251 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.472 13.911 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.042 12.624 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.631 12.343 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.508 16.371 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.380 16.283 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.204 15.969 0.133 1.00 0.00 H new ATOM 984 N SER A 66 1.984 11.712 3.095 1.00 0.00 N ATOM 985 CA SER A 66 3.053 10.745 3.280 1.00 0.00 C ATOM 986 C SER A 66 2.555 9.570 4.124 1.00 0.00 C ATOM 987 O SER A 66 2.735 8.412 3.750 1.00 0.00 O ATOM 988 CB SER A 66 4.273 11.393 3.939 1.00 0.00 C ATOM 989 OG SER A 66 5.190 10.422 4.435 1.00 0.00 O ATOM 0 H SER A 66 2.221 12.667 3.365 1.00 0.00 H new ATOM 0 HA SER A 66 3.356 10.377 2.300 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.779 12.033 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.945 12.034 4.758 1.00 0.00 H new ATOM 0 HG SER A 66 5.955 10.875 4.847 1.00 0.00 H new ATOM 995 N GLY A 67 1.939 9.909 5.247 1.00 0.00 N ATOM 996 CA GLY A 67 1.414 8.896 6.147 1.00 0.00 C ATOM 997 C GLY A 67 0.501 7.920 5.402 1.00 0.00 C ATOM 998 O GLY A 67 0.369 6.763 5.797 1.00 0.00 O ATOM 0 H GLY A 67 1.792 10.870 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.238 8.350 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.859 9.374 6.954 1.00 0.00 H new ATOM 1002 N TYR A 68 -0.105 8.423 4.336 1.00 0.00 N ATOM 1003 CA TYR A 68 -1.001 7.610 3.532 1.00 0.00 C ATOM 1004 C TYR A 68 -0.256 6.969 2.359 1.00 0.00 C ATOM 1005 O TYR A 68 -0.761 6.039 1.732 1.00 0.00 O ATOM 1006 CB TYR A 68 -2.063 8.567 2.985 1.00 0.00 C ATOM 1007 CG TYR A 68 -3.041 9.080 4.043 1.00 0.00 C ATOM 1008 CD1 TYR A 68 -3.646 8.194 4.911 1.00 0.00 C ATOM 1009 CD2 TYR A 68 -3.320 10.429 4.129 1.00 0.00 C ATOM 1010 CE1 TYR A 68 -4.568 8.678 5.907 1.00 0.00 C ATOM 1011 CE2 TYR A 68 -4.241 10.913 5.125 1.00 0.00 C ATOM 1012 CZ TYR A 68 -4.819 10.013 5.964 1.00 0.00 C ATOM 1013 OH TYR A 68 -5.690 10.469 6.905 1.00 0.00 O ATOM 0 H TYR A 68 0.007 9.383 4.011 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.431 6.807 4.130 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.566 9.419 2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.625 8.060 2.201 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.429 7.138 4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.847 11.122 3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.049 7.996 6.593 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.467 11.966 5.203 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.660 9.883 7.690 1.00 0.00 H new ATOM 1023 N MET A 69 0.932 7.492 2.098 1.00 0.00 N ATOM 1024 CA MET A 69 1.752 6.983 1.011 1.00 0.00 C ATOM 1025 C MET A 69 2.493 5.713 1.432 1.00 0.00 C ATOM 1026 O MET A 69 2.594 4.763 0.658 1.00 0.00 O ATOM 1027 CB MET A 69 2.765 8.051 0.592 1.00 0.00 C ATOM 1028 CG MET A 69 2.089 9.161 -0.214 1.00 0.00 C ATOM 1029 SD MET A 69 3.247 9.865 -1.376 1.00 0.00 S ATOM 1030 CE MET A 69 3.003 8.766 -2.761 1.00 0.00 C ATOM 0 H MET A 69 1.347 8.263 2.620 1.00 0.00 H new ATOM 0 HA MET A 69 1.100 6.739 0.172 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.238 8.476 1.477 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.555 7.594 -0.003 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.226 8.761 -0.746 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.719 9.936 0.458 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.716 9.009 -3.548 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.155 7.736 -2.439 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.988 8.881 -3.143 1.00 0.00 H new ATOM 1040 N ASP A 70 2.994 5.737 2.659 1.00 0.00 N ATOM 1041 CA ASP A 70 3.723 4.599 3.192 1.00 0.00 C ATOM 1042 C ASP A 70 2.808 3.373 3.205 1.00 0.00 C ATOM 1043 O ASP A 70 3.207 2.292 2.777 1.00 0.00 O ATOM 1044 CB ASP A 70 4.181 4.863 4.628 1.00 0.00 C ATOM 1045 CG ASP A 70 4.987 3.731 5.268 1.00 0.00 C ATOM 1046 OD1 ASP A 70 5.474 2.875 4.497 1.00 0.00 O ATOM 1047 OD2 ASP A 70 5.099 3.746 6.512 1.00 0.00 O ATOM 0 H ASP A 70 2.909 6.527 3.299 1.00 0.00 H new ATOM 0 HA ASP A 70 4.595 4.431 2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.785 5.770 4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.303 5.057 5.244 1.00 0.00 H new ATOM 1052 N ARG A 71 1.598 3.583 3.702 1.00 0.00 N ATOM 1053 CA ARG A 71 0.623 2.508 3.777 1.00 0.00 C ATOM 1054 C ARG A 71 0.304 1.983 2.376 1.00 0.00 C ATOM 1055 O ARG A 71 0.281 0.773 2.153 1.00 0.00 O ATOM 1056 CB ARG A 71 -0.671 2.983 4.443 1.00 0.00 C ATOM 1057 CG ARG A 71 -1.537 1.796 4.866 1.00 0.00 C ATOM 1058 CD ARG A 71 -0.755 0.840 5.769 1.00 0.00 C ATOM 1059 NE ARG A 71 -1.687 0.080 6.631 1.00 0.00 N ATOM 1060 CZ ARG A 71 -1.307 -0.652 7.687 1.00 0.00 C ATOM 1061 NH1 ARG A 71 -0.010 -0.727 8.018 1.00 0.00 N ATOM 1062 NH2 ARG A 71 -2.223 -1.308 8.412 1.00 0.00 N ATOM 0 H ARG A 71 1.270 4.482 4.057 1.00 0.00 H new ATOM 0 HA ARG A 71 1.056 1.709 4.379 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.433 3.593 5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.228 3.617 3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.422 2.156 5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.886 1.263 3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.167 0.153 5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.053 1.402 6.385 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.682 0.116 6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.687 -0.227 7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.280 -1.284 8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.210 -1.250 8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.934 -1.865 9.216 1.00 0.00 H new ATOM 1076 N ALA A 72 0.065 2.918 1.468 1.00 0.00 N ATOM 1077 CA ALA A 72 -0.252 2.564 0.095 1.00 0.00 C ATOM 1078 C ALA A 72 0.894 1.737 -0.492 1.00 0.00 C ATOM 1079 O ALA A 72 0.679 0.626 -0.974 1.00 0.00 O ATOM 1080 CB ALA A 72 -0.524 3.836 -0.711 1.00 0.00 C ATOM 0 H ALA A 72 0.085 3.920 1.656 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.154 1.953 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.762 3.570 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.365 4.373 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.361 4.473 -0.696 1.00 0.00 H new ATOM 1086 N GLU A 73 2.087 2.311 -0.431 1.00 0.00 N ATOM 1087 CA GLU A 73 3.267 1.641 -0.950 1.00 0.00 C ATOM 1088 C GLU A 73 3.321 0.196 -0.449 1.00 0.00 C ATOM 1089 O GLU A 73 3.175 -0.742 -1.231 1.00 0.00 O ATOM 1090 CB GLU A 73 4.540 2.400 -0.571 1.00 0.00 C ATOM 1091 CG GLU A 73 5.094 3.175 -1.768 1.00 0.00 C ATOM 1092 CD GLU A 73 6.624 3.191 -1.751 1.00 0.00 C ATOM 1093 OE1 GLU A 73 7.176 3.449 -0.660 1.00 0.00 O ATOM 1094 OE2 GLU A 73 7.206 2.945 -2.830 1.00 0.00 O ATOM 0 H GLU A 73 2.261 3.233 -0.030 1.00 0.00 H new ATOM 0 HA GLU A 73 3.203 1.626 -2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.327 3.089 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.291 1.699 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.742 2.721 -2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.716 4.197 -1.750 1.00 0.00 H new ATOM 1101 N ASN A 74 3.530 0.062 0.852 1.00 0.00 N ATOM 1102 CA ASN A 74 3.605 -1.252 1.467 1.00 0.00 C ATOM 1103 C ASN A 74 2.553 -2.167 0.835 1.00 0.00 C ATOM 1104 O ASN A 74 2.849 -3.307 0.481 1.00 0.00 O ATOM 1105 CB ASN A 74 3.323 -1.175 2.969 1.00 0.00 C ATOM 1106 CG ASN A 74 4.537 -1.633 3.779 1.00 0.00 C ATOM 1107 OD1 ASN A 74 4.595 -2.741 4.287 1.00 0.00 O ATOM 1108 ND2 ASN A 74 5.500 -0.721 3.871 1.00 0.00 N ATOM 0 H ASN A 74 3.650 0.842 1.498 1.00 0.00 H new ATOM 0 HA ASN A 74 4.611 -1.641 1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.064 -0.152 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.462 -1.798 3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.352 -0.930 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.387 0.187 3.421 1.00 0.00 H new ATOM 1115 N ILE A 75 1.348 -1.632 0.711 1.00 0.00 N ATOM 1116 CA ILE A 75 0.251 -2.385 0.128 1.00 0.00 C ATOM 1117 C ILE A 75 0.586 -2.722 -1.327 1.00 0.00 C ATOM 1118 O ILE A 75 0.669 -3.893 -1.693 1.00 0.00 O ATOM 1119 CB ILE A 75 -1.068 -1.628 0.295 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -1.584 -1.736 1.731 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -2.106 -2.102 -0.724 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -2.813 -0.848 1.941 1.00 0.00 C ATOM 0 H ILE A 75 1.107 -0.685 1.004 1.00 0.00 H new ATOM 0 HA ILE A 75 0.118 -3.331 0.653 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.883 -0.572 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.838 -2.773 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.797 -1.444 2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.034 -1.548 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.730 -1.930 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.294 -3.166 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.159 -0.944 2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.550 0.191 1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.606 -1.158 1.261 1.00 0.00 H new ATOM 1134 N LYS A 76 0.770 -1.674 -2.116 1.00 0.00 N ATOM 1135 CA LYS A 76 1.094 -1.844 -3.522 1.00 0.00 C ATOM 1136 C LYS A 76 2.219 -2.872 -3.661 1.00 0.00 C ATOM 1137 O LYS A 76 2.102 -3.827 -4.428 1.00 0.00 O ATOM 1138 CB LYS A 76 1.413 -0.493 -4.166 1.00 0.00 C ATOM 1139 CG LYS A 76 0.212 0.036 -4.953 1.00 0.00 C ATOM 1140 CD LYS A 76 0.567 0.233 -6.428 1.00 0.00 C ATOM 1141 CE LYS A 76 1.198 1.607 -6.661 1.00 0.00 C ATOM 1142 NZ LYS A 76 2.253 1.524 -7.695 1.00 0.00 N ATOM 0 H LYS A 76 0.701 -0.704 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 76 0.234 -2.235 -4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.692 0.225 -3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.271 -0.596 -4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.621 -0.662 -4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.119 0.982 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.258 -0.547 -6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.331 0.133 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.432 2.318 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.622 1.982 -5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.671 2.465 -7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.992 0.861 -7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.839 1.187 -8.587 1.00 0.00 H new ATOM 1156 N LYS A 77 3.284 -2.642 -2.907 1.00 0.00 N ATOM 1157 CA LYS A 77 4.429 -3.536 -2.936 1.00 0.00 C ATOM 1158 C LYS A 77 3.966 -4.961 -2.631 1.00 0.00 C ATOM 1159 O LYS A 77 4.550 -5.926 -3.121 1.00 0.00 O ATOM 1160 CB LYS A 77 5.526 -3.032 -1.996 1.00 0.00 C ATOM 1161 CG LYS A 77 6.424 -2.011 -2.699 1.00 0.00 C ATOM 1162 CD LYS A 77 5.771 -0.628 -2.719 1.00 0.00 C ATOM 1163 CE LYS A 77 4.751 -0.520 -3.854 1.00 0.00 C ATOM 1164 NZ LYS A 77 5.174 0.504 -4.836 1.00 0.00 N ATOM 0 H LYS A 77 3.378 -1.849 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 77 4.875 -3.551 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.074 -2.578 -1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.127 -3.872 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.386 -1.956 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.623 -2.338 -3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.280 -0.440 -1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.537 0.138 -2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.646 -1.485 -4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.773 -0.261 -3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.470 0.564 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.252 1.427 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.097 0.241 -5.236 1.00 0.00 H new ATOM 1178 N TYR A 78 2.919 -5.049 -1.824 1.00 0.00 N ATOM 1179 CA TYR A 78 2.370 -6.341 -1.448 1.00 0.00 C ATOM 1180 C TYR A 78 1.345 -6.822 -2.477 1.00 0.00 C ATOM 1181 O TYR A 78 1.099 -8.021 -2.600 1.00 0.00 O ATOM 1182 CB TYR A 78 1.666 -6.126 -0.107 1.00 0.00 C ATOM 1183 CG TYR A 78 0.406 -6.974 0.078 1.00 0.00 C ATOM 1184 CD1 TYR A 78 0.513 -8.294 0.465 1.00 0.00 C ATOM 1185 CD2 TYR A 78 -0.838 -6.418 -0.144 1.00 0.00 C ATOM 1186 CE1 TYR A 78 -0.674 -9.092 0.639 1.00 0.00 C ATOM 1187 CE2 TYR A 78 -2.024 -7.216 0.029 1.00 0.00 C ATOM 1188 CZ TYR A 78 -1.883 -8.513 0.412 1.00 0.00 C ATOM 1189 OH TYR A 78 -3.004 -9.267 0.576 1.00 0.00 O ATOM 0 H TYR A 78 2.436 -4.247 -1.420 1.00 0.00 H new ATOM 0 HA TYR A 78 3.159 -7.091 -1.391 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.365 -6.352 0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.400 -5.073 -0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.486 -8.729 0.637 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.922 -5.385 -0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.605 -10.126 0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.003 -6.794 -0.142 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.176 -9.780 -0.241 1.00 0.00 H new ATOM 1199 N LEU A 79 0.775 -5.862 -3.190 1.00 0.00 N ATOM 1200 CA LEU A 79 -0.217 -6.172 -4.205 1.00 0.00 C ATOM 1201 C LEU A 79 0.487 -6.699 -5.457 1.00 0.00 C ATOM 1202 O LEU A 79 0.022 -7.652 -6.081 1.00 0.00 O ATOM 1203 CB LEU A 79 -1.112 -4.959 -4.467 1.00 0.00 C ATOM 1204 CG LEU A 79 -1.997 -4.514 -3.301 1.00 0.00 C ATOM 1205 CD1 LEU A 79 -2.814 -3.275 -3.675 1.00 0.00 C ATOM 1206 CD2 LEU A 79 -2.885 -5.661 -2.817 1.00 0.00 C ATOM 0 H LEU A 79 0.981 -4.869 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.883 -6.962 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.478 -4.121 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.754 -5.183 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.351 -4.235 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.434 -2.979 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.139 -2.459 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.451 -3.503 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.504 -5.317 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.525 -5.995 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.260 -6.490 -2.484 1.00 0.00 H new ATOM 1218 N ASP A 80 1.597 -6.056 -5.787 1.00 0.00 N ATOM 1219 CA ASP A 80 2.370 -6.448 -6.953 1.00 0.00 C ATOM 1220 C ASP A 80 2.801 -7.909 -6.807 1.00 0.00 C ATOM 1221 O ASP A 80 2.728 -8.680 -7.763 1.00 0.00 O ATOM 1222 CB ASP A 80 3.633 -5.594 -7.090 1.00 0.00 C ATOM 1223 CG ASP A 80 3.623 -4.606 -8.258 1.00 0.00 C ATOM 1224 OD1 ASP A 80 3.890 -5.064 -9.390 1.00 0.00 O ATOM 1225 OD2 ASP A 80 3.347 -3.417 -7.992 1.00 0.00 O ATOM 0 H ASP A 80 1.980 -5.266 -5.267 1.00 0.00 H new ATOM 0 HA ASP A 80 1.744 -6.310 -7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.779 -5.037 -6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.491 -6.257 -7.202 1.00 0.00 H new ATOM 1230 N GLN A 81 3.241 -8.245 -5.604 1.00 0.00 N ATOM 1231 CA GLN A 81 3.683 -9.600 -5.320 1.00 0.00 C ATOM 1232 C GLN A 81 2.481 -10.542 -5.228 1.00 0.00 C ATOM 1233 O GLN A 81 2.517 -11.654 -5.754 1.00 0.00 O ATOM 1234 CB GLN A 81 4.516 -9.648 -4.038 1.00 0.00 C ATOM 1235 CG GLN A 81 3.672 -9.265 -2.821 1.00 0.00 C ATOM 1236 CD GLN A 81 4.517 -9.272 -1.544 1.00 0.00 C ATOM 1237 OE1 GLN A 81 5.722 -9.084 -1.565 1.00 0.00 O ATOM 1238 NE2 GLN A 81 3.818 -9.498 -0.435 1.00 0.00 N ATOM 0 H GLN A 81 3.301 -7.602 -4.814 1.00 0.00 H new ATOM 0 HA GLN A 81 4.319 -9.933 -6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.923 -10.650 -3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.364 -8.969 -4.125 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.240 -8.275 -2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.841 -9.963 -2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.810 -9.648 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.290 -9.522 0.469 1.00 0.00 H new ATOM 1247 N GLU A 82 1.444 -10.063 -4.556 1.00 0.00 N ATOM 1248 CA GLU A 82 0.234 -10.849 -4.388 1.00 0.00 C ATOM 1249 C GLU A 82 -0.311 -11.283 -5.750 1.00 0.00 C ATOM 1250 O GLU A 82 -0.920 -12.345 -5.870 1.00 0.00 O ATOM 1251 CB GLU A 82 -0.821 -10.070 -3.599 1.00 0.00 C ATOM 1252 CG GLU A 82 -0.472 -10.030 -2.110 1.00 0.00 C ATOM 1253 CD GLU A 82 -1.309 -11.040 -1.323 1.00 0.00 C ATOM 1254 OE1 GLU A 82 -2.551 -10.912 -1.376 1.00 0.00 O ATOM 1255 OE2 GLU A 82 -0.688 -11.918 -0.685 1.00 0.00 O ATOM 0 H GLU A 82 1.417 -9.140 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 82 0.482 -11.743 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.894 -9.054 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.798 -10.534 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.588 -10.247 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.644 -9.027 -1.719 1.00 0.00 H new ATOM 1262 N LYS A 83 -0.072 -10.439 -6.743 1.00 0.00 N ATOM 1263 CA LYS A 83 -0.531 -10.721 -8.093 1.00 0.00 C ATOM 1264 C LYS A 83 0.232 -11.927 -8.644 1.00 0.00 C ATOM 1265 O LYS A 83 -0.373 -12.870 -9.152 1.00 0.00 O ATOM 1266 CB LYS A 83 -0.422 -9.472 -8.969 1.00 0.00 C ATOM 1267 CG LYS A 83 -1.798 -9.034 -9.474 1.00 0.00 C ATOM 1268 CD LYS A 83 -1.715 -8.510 -10.909 1.00 0.00 C ATOM 1269 CE LYS A 83 -3.105 -8.409 -11.538 1.00 0.00 C ATOM 1270 NZ LYS A 83 -3.211 -7.190 -12.370 1.00 0.00 N ATOM 0 H LYS A 83 0.434 -9.559 -6.640 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.588 -10.986 -8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.035 -8.663 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.233 -9.674 -9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.490 -9.875 -9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.198 -8.257 -8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.237 -7.530 -10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.089 -9.173 -11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.299 -9.291 -12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.864 -8.389 -10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.161 -7.137 -12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.047 -6.351 -11.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.500 -7.224 -13.128 1.00 0.00 H new ATOM 1284 N GLU A 84 1.550 -11.858 -8.525 1.00 0.00 N ATOM 1285 CA GLU A 84 2.402 -12.933 -9.005 1.00 0.00 C ATOM 1286 C GLU A 84 2.249 -14.169 -8.117 1.00 0.00 C ATOM 1287 O GLU A 84 2.626 -15.272 -8.511 1.00 0.00 O ATOM 1288 CB GLU A 84 3.863 -12.485 -9.074 1.00 0.00 C ATOM 1289 CG GLU A 84 4.170 -11.822 -10.419 1.00 0.00 C ATOM 1290 CD GLU A 84 5.432 -12.417 -11.048 1.00 0.00 C ATOM 1291 OE1 GLU A 84 6.379 -12.683 -10.276 1.00 0.00 O ATOM 1292 OE2 GLU A 84 5.421 -12.593 -12.285 1.00 0.00 O ATOM 0 H GLU A 84 2.049 -11.074 -8.103 1.00 0.00 H new ATOM 0 HA GLU A 84 2.088 -13.195 -10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.072 -11.786 -8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.518 -13.344 -8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.325 -11.954 -11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.301 -10.749 -10.278 1.00 0.00 H new ATOM 1299 N ASP A 85 1.696 -13.944 -6.934 1.00 0.00 N ATOM 1300 CA ASP A 85 1.489 -15.025 -5.987 1.00 0.00 C ATOM 1301 C ASP A 85 0.248 -15.823 -6.393 1.00 0.00 C ATOM 1302 O ASP A 85 -0.148 -16.758 -5.699 1.00 0.00 O ATOM 1303 CB ASP A 85 1.260 -14.484 -4.574 1.00 0.00 C ATOM 1304 CG ASP A 85 2.385 -13.600 -4.031 1.00 0.00 C ATOM 1305 OD1 ASP A 85 3.456 -13.585 -4.674 1.00 0.00 O ATOM 1306 OD2 ASP A 85 2.147 -12.959 -2.984 1.00 0.00 O ATOM 0 H ASP A 85 1.385 -13.028 -6.610 1.00 0.00 H new ATOM 0 HA ASP A 85 2.380 -15.653 -5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.332 -13.912 -4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.121 -15.326 -3.896 1.00 0.00 H new ATOM 1311 N GLY A 86 -0.330 -15.425 -7.517 1.00 0.00 N ATOM 1312 CA GLY A 86 -1.518 -16.091 -8.024 1.00 0.00 C ATOM 1313 C GLY A 86 -1.142 -17.282 -8.909 1.00 0.00 C ATOM 1314 O GLY A 86 -1.912 -17.677 -9.783 1.00 0.00 O ATOM 0 H GLY A 86 0.002 -14.650 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.132 -16.432 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.120 -15.384 -8.595 1.00 0.00 H new ATOM 1318 N LYS A 87 0.040 -17.821 -8.650 1.00 0.00 N ATOM 1319 CA LYS A 87 0.527 -18.958 -9.412 1.00 0.00 C ATOM 1320 C LYS A 87 -0.664 -19.738 -9.973 1.00 0.00 C ATOM 1321 O LYS A 87 -0.972 -19.640 -11.160 1.00 0.00 O ATOM 1322 CB LYS A 87 1.472 -19.808 -8.561 1.00 0.00 C ATOM 1323 CG LYS A 87 2.485 -18.930 -7.823 1.00 0.00 C ATOM 1324 CD LYS A 87 3.060 -17.858 -8.752 1.00 0.00 C ATOM 1325 CE LYS A 87 3.931 -18.486 -9.841 1.00 0.00 C ATOM 1326 NZ LYS A 87 5.249 -18.874 -9.291 1.00 0.00 N ATOM 0 H LYS A 87 0.675 -17.491 -7.923 1.00 0.00 H new ATOM 0 HA LYS A 87 1.118 -18.621 -10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.896 -20.388 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.998 -20.520 -9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.005 -18.455 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.292 -19.549 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.247 -17.295 -9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.651 -17.149 -8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.431 -19.362 -10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.066 -17.779 -10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.863 -19.204 -10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.687 -18.053 -8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.124 -19.638 -8.597 1.00 0.00 H new ATOM 1340 N SER A 88 -1.302 -20.496 -9.092 1.00 0.00 N ATOM 1341 CA SER A 88 -2.452 -21.292 -9.485 1.00 0.00 C ATOM 1342 C SER A 88 -1.996 -22.505 -10.298 1.00 0.00 C ATOM 1343 O SER A 88 -2.112 -23.642 -9.841 1.00 0.00 O ATOM 1344 CB SER A 88 -3.451 -20.458 -10.291 1.00 0.00 C ATOM 1345 OG SER A 88 -4.743 -20.444 -9.690 1.00 0.00 O ATOM 0 H SER A 88 -1.044 -20.575 -8.108 1.00 0.00 H new ATOM 0 HA SER A 88 -2.954 -21.636 -8.581 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.082 -19.436 -10.380 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.526 -20.859 -11.302 1.00 0.00 H new ATOM 0 HG SER A 88 -5.351 -19.900 -10.233 1.00 0.00 H new ATOM 1351 N GLY A 89 -1.488 -22.223 -11.488 1.00 0.00 N ATOM 1352 CA GLY A 89 -1.014 -23.277 -12.369 1.00 0.00 C ATOM 1353 C GLY A 89 0.085 -24.101 -11.695 1.00 0.00 C ATOM 1354 O GLY A 89 0.752 -23.623 -10.779 1.00 0.00 O ATOM 0 H GLY A 89 -1.394 -21.279 -11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.844 -23.927 -12.644 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.632 -22.840 -13.292 1.00 0.00 H new ATOM 1358 N PRO A 90 0.244 -25.359 -12.188 1.00 0.00 N ATOM 1359 CA PRO A 90 1.251 -26.254 -11.644 1.00 0.00 C ATOM 1360 C PRO A 90 2.651 -25.856 -12.114 1.00 0.00 C ATOM 1361 O PRO A 90 3.293 -26.594 -12.859 1.00 0.00 O ATOM 1362 CB PRO A 90 0.839 -27.640 -12.112 1.00 0.00 C ATOM 1363 CG PRO A 90 -0.110 -27.421 -13.279 1.00 0.00 C ATOM 1364 CD PRO A 90 -0.527 -25.959 -13.272 1.00 0.00 C ATOM 0 HA PRO A 90 1.305 -26.215 -10.556 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.707 -28.223 -12.419 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.351 -28.194 -11.310 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.378 -27.674 -14.220 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -0.983 -28.067 -13.188 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -0.308 -25.480 -14.226 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -1.598 -25.854 -13.101 1.00 0.00 H new ATOM 1372 N SER A 91 3.083 -24.689 -11.659 1.00 0.00 N ATOM 1373 CA SER A 91 4.396 -24.183 -12.024 1.00 0.00 C ATOM 1374 C SER A 91 5.485 -25.046 -11.385 1.00 0.00 C ATOM 1375 O SER A 91 5.604 -25.098 -10.162 1.00 0.00 O ATOM 1376 CB SER A 91 4.560 -22.722 -11.601 1.00 0.00 C ATOM 1377 OG SER A 91 5.260 -21.958 -12.580 1.00 0.00 O ATOM 0 H SER A 91 2.547 -24.079 -11.041 1.00 0.00 H new ATOM 0 HA SER A 91 4.492 -24.232 -13.109 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.578 -22.281 -11.432 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.097 -22.677 -10.654 1.00 0.00 H new ATOM 0 HG SER A 91 5.343 -21.031 -12.274 1.00 0.00 H new ATOM 1383 N SER A 92 6.253 -25.703 -12.242 1.00 0.00 N ATOM 1384 CA SER A 92 7.329 -26.562 -11.776 1.00 0.00 C ATOM 1385 C SER A 92 8.130 -25.851 -10.683 1.00 0.00 C ATOM 1386 O SER A 92 8.365 -24.646 -10.764 1.00 0.00 O ATOM 1387 CB SER A 92 8.249 -26.966 -12.930 1.00 0.00 C ATOM 1388 OG SER A 92 7.643 -27.935 -13.781 1.00 0.00 O ATOM 0 H SER A 92 6.152 -25.658 -13.256 1.00 0.00 H new ATOM 0 HA SER A 92 6.888 -27.469 -11.363 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.508 -26.083 -13.513 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.180 -27.367 -12.529 1.00 0.00 H new ATOM 0 HG SER A 92 8.261 -28.166 -14.506 1.00 0.00 H new ATOM 1394 N GLY A 93 8.527 -26.627 -9.685 1.00 0.00 N ATOM 1395 CA GLY A 93 9.296 -26.087 -8.577 1.00 0.00 C ATOM 1396 C GLY A 93 8.491 -26.134 -7.277 1.00 0.00 C ATOM 1397 O GLY A 93 7.412 -25.552 -7.189 1.00 0.00 O ATOM 0 H GLY A 93 8.330 -27.626 -9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.218 -26.656 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.582 -25.058 -8.795 1.00 0.00 H new TER 1401 GLY A 93