USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 160 SER OG : rot 180:sc= 1.03 USER MOD Set 1.2: A 163 SER OG : rot 69:sc= 1.23 USER MOD Set 2.1: A 107 CYS SG : rot 62:sc= 0.526 USER MOD Set 2.2: A 138 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 176 GLN : amide:sc= -0.645 K(o=-0.12,f=-3.9) USER MOD Set 3.1: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 118 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 91 HIS : no HE2:sc= 1.02 K(o=2.3,f=-1.9) USER MOD Set 4.2: A 93 SER OG : rot -102:sc= 1.28 USER MOD Set 5.1: A 90 HIS : no HD1:sc= 0 X(o=0.42,f=0.39) USER MOD Set 5.2: A 92 SER OG : rot 43:sc= 0.42 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc=-0.000656 X(o=-0.00066,f=0) USER MOD Single : A 83 HIS : no HE2:sc= 0.355 K(o=0.35,f=-1.7) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 85 HIS : no HE2:sc= 0.185 K(o=0.19,f=-0.99) USER MOD Single : A 86 HIS : no HD1:sc= -0.0235 X(o=-0.024,f=-0.024) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.107 K(o=-0.11,f=-0.62) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HE2:sc= -0.126 K(o=-0.13,f=-2.2!) USER MOD Single : A 100 HIS : no HE2:sc= 0.223 K(o=0.22,f=-1) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 10:sc= 1.3 USER MOD Single : A 113 SER OG : rot -39:sc= 0.814 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0.184 X(o=0.18,f=-0.083) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.4) USER MOD Single : A 134 CYS SG : rot -29:sc= 0.801 USER MOD Single : A 145 SER OG : rot -39:sc= 1.22 USER MOD Single : A 146 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.023) USER MOD Single : A 149 TYR OH : rot 39:sc= 1 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 ASN : amide:sc= -0.758 K(o=-0.76,f=-2.3!) USER MOD Single : A 158 HIS : no HE2:sc= 0.466 K(o=0.47,f=-4!) USER MOD Single : A 164 TYR OH : rot 174:sc= 1.13 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 80 17.255 -15.680 4.961 1.00 25.00 N ATOM 2 CA MET A 80 17.573 -14.659 5.990 1.00 25.00 C ATOM 3 C MET A 80 18.943 -14.016 5.814 1.00 25.00 C ATOM 4 O MET A 80 19.828 -14.523 5.161 1.00 25.00 O ATOM 5 CB MET A 80 17.489 -15.291 7.398 1.00 25.00 C ATOM 6 CG MET A 80 16.089 -15.861 7.691 1.00 25.00 C ATOM 7 SD MET A 80 16.014 -17.675 7.497 1.00 25.00 S ATOM 8 CE MET A 80 14.270 -17.974 7.929 1.00 25.00 C ATOM 0 HA MET A 80 16.833 -13.867 5.870 1.00 25.00 H new ATOM 0 HB2 MET A 80 18.230 -16.086 7.483 1.00 25.00 H new ATOM 0 HB3 MET A 80 17.739 -14.541 8.148 1.00 25.00 H new ATOM 0 HG2 MET A 80 15.798 -15.596 8.708 1.00 25.00 H new ATOM 0 HG3 MET A 80 15.365 -15.398 7.021 1.00 25.00 H new ATOM 0 HE1 MET A 80 14.056 -19.041 7.860 1.00 25.00 H new ATOM 0 HE2 MET A 80 14.083 -17.631 8.947 1.00 25.00 H new ATOM 0 HE3 MET A 80 13.626 -17.430 7.239 1.00 25.00 H new ATOM 18 N GLY A 81 19.114 -12.845 6.433 1.00 25.00 N ATOM 19 CA GLY A 81 20.364 -12.107 6.408 1.00 25.00 C ATOM 20 C GLY A 81 20.235 -10.976 7.400 1.00 25.00 C ATOM 21 O GLY A 81 19.120 -10.593 7.729 1.00 25.00 O ATOM 0 H GLY A 81 18.378 -12.385 6.968 1.00 25.00 H new ATOM 0 HA2 GLY A 81 21.199 -12.756 6.671 1.00 25.00 H new ATOM 0 HA3 GLY A 81 20.563 -11.721 5.408 1.00 25.00 H new ATOM 25 N HIS A 82 21.349 -10.488 7.925 1.00 25.00 N ATOM 26 CA HIS A 82 21.311 -9.458 8.968 1.00 25.00 C ATOM 27 C HIS A 82 21.300 -8.042 8.393 1.00 25.00 C ATOM 28 O HIS A 82 20.585 -7.176 8.878 1.00 25.00 O ATOM 29 CB HIS A 82 22.518 -9.619 9.894 1.00 25.00 C ATOM 30 CG HIS A 82 22.551 -10.935 10.612 1.00 25.00 C ATOM 31 ND1 HIS A 82 23.670 -11.466 11.203 1.00 25.00 N ATOM 32 CD2 HIS A 82 21.564 -11.849 10.840 1.00 25.00 C ATOM 33 CE1 HIS A 82 23.339 -12.638 11.738 1.00 25.00 C ATOM 34 NE2 HIS A 82 22.068 -12.923 11.543 1.00 25.00 N ATOM 0 H HIS A 82 22.287 -10.782 7.653 1.00 25.00 H new ATOM 0 HA HIS A 82 20.382 -9.595 9.522 1.00 25.00 H new ATOM 0 HB2 HIS A 82 23.431 -9.510 9.309 1.00 25.00 H new ATOM 0 HB3 HIS A 82 22.512 -8.814 10.628 1.00 25.00 H new ATOM 0 HD2 HIS A 82 20.538 -11.746 10.517 1.00 25.00 H new ATOM 0 HE1 HIS A 82 24.029 -13.278 12.268 1.00 25.00 H new ATOM 0 HE2 HIS A 82 21.565 -13.757 11.846 1.00 25.00 H new ATOM 42 N HIS A 83 22.111 -7.811 7.370 1.00 25.00 N ATOM 43 CA HIS A 83 22.205 -6.501 6.734 1.00 25.00 C ATOM 44 C HIS A 83 22.757 -6.728 5.334 1.00 25.00 C ATOM 45 O HIS A 83 23.201 -7.832 5.020 1.00 25.00 O ATOM 46 CB HIS A 83 23.138 -5.579 7.534 1.00 25.00 C ATOM 47 CG HIS A 83 22.788 -4.127 7.423 1.00 25.00 C ATOM 48 ND1 HIS A 83 23.280 -3.271 6.464 1.00 25.00 N ATOM 49 CD2 HIS A 83 21.958 -3.360 8.183 1.00 25.00 C ATOM 50 CE1 HIS A 83 22.749 -2.070 6.667 1.00 25.00 C ATOM 51 NE2 HIS A 83 21.935 -2.066 7.702 1.00 25.00 N ATOM 0 H HIS A 83 22.719 -8.519 6.959 1.00 25.00 H new ATOM 0 HA HIS A 83 21.228 -6.019 6.694 1.00 25.00 H new ATOM 0 HB2 HIS A 83 23.111 -5.871 8.584 1.00 25.00 H new ATOM 0 HB3 HIS A 83 24.162 -5.725 7.189 1.00 25.00 H new ATOM 0 HD1 HIS A 83 23.939 -3.516 5.725 1.00 25.00 H new ATOM 0 HD2 HIS A 83 21.399 -3.713 9.037 1.00 25.00 H new ATOM 0 HE1 HIS A 83 22.959 -1.203 6.058 1.00 25.00 H new ATOM 59 N HIS A 84 22.753 -5.689 4.513 1.00 25.00 N ATOM 60 CA HIS A 84 23.271 -5.755 3.149 1.00 25.00 C ATOM 61 C HIS A 84 24.039 -4.467 2.872 1.00 25.00 C ATOM 62 O HIS A 84 23.912 -3.498 3.619 1.00 25.00 O ATOM 63 CB HIS A 84 22.101 -5.900 2.169 1.00 25.00 C ATOM 64 CG HIS A 84 20.997 -4.916 2.410 1.00 25.00 C ATOM 65 ND1 HIS A 84 20.997 -3.619 1.962 1.00 25.00 N ATOM 66 CD2 HIS A 84 19.823 -5.054 3.088 1.00 25.00 C ATOM 67 CE1 HIS A 84 19.877 -3.036 2.378 1.00 25.00 C ATOM 68 NE2 HIS A 84 19.122 -3.866 3.068 1.00 25.00 N ATOM 0 H HIS A 84 22.390 -4.772 4.772 1.00 25.00 H new ATOM 0 HA HIS A 84 23.933 -6.612 3.027 1.00 25.00 H new ATOM 0 HB2 HIS A 84 22.472 -5.777 1.151 1.00 25.00 H new ATOM 0 HB3 HIS A 84 21.699 -6.911 2.242 1.00 25.00 H new ATOM 0 HD2 HIS A 84 19.490 -5.961 3.571 1.00 25.00 H new ATOM 0 HE1 HIS A 84 19.618 -2.007 2.175 1.00 25.00 H new ATOM 0 HE2 HIS A 84 18.216 -3.672 3.495 1.00 25.00 H new ATOM 76 N HIS A 85 24.827 -4.450 1.805 1.00 25.00 N ATOM 77 CA HIS A 85 25.568 -3.257 1.407 1.00 25.00 C ATOM 78 C HIS A 85 25.795 -3.356 -0.091 1.00 25.00 C ATOM 79 O HIS A 85 25.914 -4.456 -0.622 1.00 25.00 O ATOM 80 CB HIS A 85 26.915 -3.183 2.136 1.00 25.00 C ATOM 81 CG HIS A 85 27.404 -1.782 2.356 1.00 25.00 C ATOM 82 ND1 HIS A 85 27.888 -0.953 1.371 1.00 25.00 N ATOM 83 CD2 HIS A 85 27.473 -1.045 3.498 1.00 25.00 C ATOM 84 CE1 HIS A 85 28.223 0.206 1.928 1.00 25.00 C ATOM 85 NE2 HIS A 85 27.986 0.208 3.224 1.00 25.00 N ATOM 0 H HIS A 85 24.971 -5.254 1.195 1.00 25.00 H new ATOM 0 HA HIS A 85 25.007 -2.358 1.664 1.00 25.00 H new ATOM 0 HB2 HIS A 85 26.824 -3.683 3.100 1.00 25.00 H new ATOM 0 HB3 HIS A 85 27.660 -3.733 1.561 1.00 25.00 H new ATOM 0 HD1 HIS A 85 27.975 -1.188 0.382 1.00 25.00 H new ATOM 0 HD2 HIS A 85 27.171 -1.390 4.476 1.00 25.00 H new ATOM 0 HE1 HIS A 85 28.638 1.043 1.386 1.00 25.00 H new ATOM 93 N HIS A 86 25.861 -2.221 -0.768 1.00 25.00 N ATOM 94 CA HIS A 86 26.095 -2.188 -2.209 1.00 25.00 C ATOM 95 C HIS A 86 27.132 -1.110 -2.452 1.00 25.00 C ATOM 96 O HIS A 86 27.428 -0.351 -1.534 1.00 25.00 O ATOM 97 CB HIS A 86 24.790 -1.878 -2.947 1.00 25.00 C ATOM 98 CG HIS A 86 23.675 -2.813 -2.596 1.00 25.00 C ATOM 99 ND1 HIS A 86 23.623 -4.136 -2.960 1.00 25.00 N ATOM 100 CD2 HIS A 86 22.543 -2.604 -1.866 1.00 25.00 C ATOM 101 CE1 HIS A 86 22.510 -4.662 -2.459 1.00 25.00 C ATOM 102 NE2 HIS A 86 21.817 -3.773 -1.776 1.00 25.00 N ATOM 0 H HIS A 86 25.755 -1.301 -0.341 1.00 25.00 H new ATOM 0 HA HIS A 86 26.449 -3.150 -2.581 1.00 25.00 H new ATOM 0 HB2 HIS A 86 24.485 -0.857 -2.718 1.00 25.00 H new ATOM 0 HB3 HIS A 86 24.969 -1.924 -4.021 1.00 25.00 H new ATOM 0 HD2 HIS A 86 22.257 -1.661 -1.423 1.00 25.00 H new ATOM 0 HE1 HIS A 86 22.210 -5.691 -2.595 1.00 25.00 H new ATOM 0 HE2 HIS A 86 20.934 -3.918 -1.286 1.00 25.00 H new ATOM 110 N HIS A 87 27.702 -1.077 -3.654 1.00 25.00 N ATOM 111 CA HIS A 87 28.750 -0.108 -4.021 1.00 25.00 C ATOM 112 C HIS A 87 29.920 -0.136 -3.029 1.00 25.00 C ATOM 113 O HIS A 87 30.524 0.881 -2.733 1.00 25.00 O ATOM 114 CB HIS A 87 28.166 1.310 -4.115 1.00 25.00 C ATOM 115 CG HIS A 87 26.898 1.383 -4.907 1.00 25.00 C ATOM 116 ND1 HIS A 87 25.735 1.952 -4.452 1.00 25.00 N ATOM 117 CD2 HIS A 87 26.608 0.945 -6.164 1.00 25.00 C ATOM 118 CE1 HIS A 87 24.816 1.838 -5.405 1.00 25.00 C ATOM 119 NE2 HIS A 87 25.292 1.226 -6.470 1.00 25.00 N ATOM 0 H HIS A 87 27.455 -1.719 -4.407 1.00 25.00 H new ATOM 0 HA HIS A 87 29.135 -0.398 -4.999 1.00 25.00 H new ATOM 0 HB2 HIS A 87 27.978 1.684 -3.109 1.00 25.00 H new ATOM 0 HB3 HIS A 87 28.906 1.970 -4.568 1.00 25.00 H new ATOM 0 HD2 HIS A 87 27.305 0.451 -6.824 1.00 25.00 H new ATOM 0 HE1 HIS A 87 23.803 2.202 -5.317 1.00 25.00 H new ATOM 0 HE2 HIS A 87 24.795 1.007 -7.334 1.00 25.00 H new ATOM 127 N HIS A 88 30.215 -1.319 -2.509 1.00 25.00 N ATOM 128 CA HIS A 88 31.250 -1.491 -1.489 1.00 25.00 C ATOM 129 C HIS A 88 32.575 -1.931 -2.111 1.00 25.00 C ATOM 130 O HIS A 88 33.497 -2.354 -1.417 1.00 25.00 O ATOM 131 CB HIS A 88 30.779 -2.531 -0.468 1.00 25.00 C ATOM 132 CG HIS A 88 30.526 -3.880 -1.062 1.00 25.00 C ATOM 133 ND1 HIS A 88 31.505 -4.802 -1.330 1.00 25.00 N ATOM 134 CD2 HIS A 88 29.364 -4.476 -1.452 1.00 25.00 C ATOM 135 CE1 HIS A 88 30.932 -5.877 -1.857 1.00 25.00 C ATOM 136 NE2 HIS A 88 29.626 -5.731 -1.961 1.00 25.00 N ATOM 0 H HIS A 88 29.748 -2.185 -2.778 1.00 25.00 H new ATOM 0 HA HIS A 88 31.417 -0.533 -0.996 1.00 25.00 H new ATOM 0 HB2 HIS A 88 31.530 -2.624 0.317 1.00 25.00 H new ATOM 0 HB3 HIS A 88 29.865 -2.174 0.006 1.00 25.00 H new ATOM 0 HD2 HIS A 88 28.383 -4.031 -1.374 1.00 25.00 H new ATOM 0 HE1 HIS A 88 31.470 -6.762 -2.163 1.00 25.00 H new ATOM 0 HE2 HIS A 88 28.955 -6.401 -2.336 1.00 25.00 H new ATOM 144 N HIS A 89 32.655 -1.869 -3.431 1.00 25.00 N ATOM 145 CA HIS A 89 33.874 -2.240 -4.134 1.00 25.00 C ATOM 146 C HIS A 89 34.792 -1.024 -4.135 1.00 25.00 C ATOM 147 O HIS A 89 34.351 0.082 -4.427 1.00 25.00 O ATOM 148 CB HIS A 89 33.548 -2.664 -5.567 1.00 25.00 C ATOM 149 CG HIS A 89 32.454 -3.683 -5.650 1.00 25.00 C ATOM 150 ND1 HIS A 89 32.570 -4.986 -5.232 1.00 25.00 N ATOM 151 CD2 HIS A 89 31.178 -3.575 -6.113 1.00 25.00 C ATOM 152 CE1 HIS A 89 31.404 -5.594 -5.441 1.00 25.00 C ATOM 153 NE2 HIS A 89 30.518 -4.778 -5.974 1.00 25.00 N ATOM 0 H HIS A 89 31.892 -1.566 -4.036 1.00 25.00 H new ATOM 0 HA HIS A 89 34.360 -3.082 -3.641 1.00 25.00 H new ATOM 0 HB2 HIS A 89 33.259 -1.784 -6.142 1.00 25.00 H new ATOM 0 HB3 HIS A 89 34.447 -3.068 -6.032 1.00 25.00 H new ATOM 0 HD2 HIS A 89 30.745 -2.677 -6.529 1.00 25.00 H new ATOM 0 HE1 HIS A 89 31.209 -6.629 -5.203 1.00 25.00 H new ATOM 0 HE2 HIS A 89 29.553 -4.990 -6.229 1.00 25.00 H new ATOM 161 N HIS A 90 36.055 -1.224 -3.791 1.00 25.00 N ATOM 162 CA HIS A 90 37.012 -0.129 -3.696 1.00 25.00 C ATOM 163 C HIS A 90 38.405 -0.671 -3.974 1.00 25.00 C ATOM 164 O HIS A 90 38.715 -1.802 -3.601 1.00 25.00 O ATOM 165 CB HIS A 90 36.960 0.478 -2.287 1.00 0.00 C ATOM 166 CG HIS A 90 37.822 1.693 -2.122 1.00 25.00 C ATOM 167 ND1 HIS A 90 39.133 1.668 -1.712 1.00 25.00 N ATOM 168 CD2 HIS A 90 37.538 3.010 -2.320 1.00 25.00 C ATOM 169 CE1 HIS A 90 39.585 2.917 -1.689 1.00 25.00 C ATOM 170 NE2 HIS A 90 38.654 3.777 -2.051 1.00 25.00 N ATOM 0 H HIS A 90 36.444 -2.141 -3.571 1.00 25.00 H new ATOM 0 HA HIS A 90 36.767 0.645 -4.424 1.00 25.00 H new ATOM 0 HB2 HIS A 90 35.929 0.741 -2.052 1.00 0.00 H new ATOM 0 HB3 HIS A 90 37.269 -0.277 -1.564 1.00 0.00 H new ATOM 0 HD2 HIS A 90 36.582 3.397 -2.640 1.00 25.00 H new ATOM 0 HE1 HIS A 90 40.591 3.193 -1.408 1.00 25.00 H new ATOM 0 HE2 HIS A 90 38.740 4.791 -2.118 1.00 25.00 H new ATOM 178 N HIS A 91 39.242 0.138 -4.603 1.00 25.00 N ATOM 179 CA HIS A 91 40.628 -0.221 -4.860 1.00 25.00 C ATOM 180 C HIS A 91 41.434 1.066 -4.847 1.00 25.00 C ATOM 181 O HIS A 91 40.961 2.091 -5.324 1.00 25.00 O ATOM 182 CB HIS A 91 40.771 -0.913 -6.218 1.00 25.00 C ATOM 183 CG HIS A 91 42.162 -1.387 -6.499 1.00 25.00 C ATOM 184 ND1 HIS A 91 42.663 -2.598 -6.095 1.00 25.00 N ATOM 185 CD2 HIS A 91 43.190 -0.781 -7.156 1.00 25.00 C ATOM 186 CE1 HIS A 91 43.924 -2.683 -6.499 1.00 25.00 C ATOM 187 NE2 HIS A 91 44.302 -1.600 -7.146 1.00 25.00 N ATOM 0 H HIS A 91 38.981 1.061 -4.950 1.00 25.00 H new ATOM 0 HA HIS A 91 40.984 -0.917 -4.100 1.00 25.00 H new ATOM 0 HB2 HIS A 91 40.090 -1.763 -6.258 1.00 25.00 H new ATOM 0 HB3 HIS A 91 40.465 -0.222 -7.004 1.00 25.00 H new ATOM 0 HD1 HIS A 91 42.154 -3.311 -5.573 1.00 25.00 H new ATOM 0 HD2 HIS A 91 43.143 0.195 -7.616 1.00 25.00 H new ATOM 0 HE1 HIS A 91 44.562 -3.536 -6.319 1.00 25.00 H new ATOM 195 N SER A 92 42.632 1.016 -4.287 1.00 25.00 N ATOM 196 CA SER A 92 43.490 2.192 -4.184 1.00 25.00 C ATOM 197 C SER A 92 44.950 1.749 -4.132 1.00 25.00 C ATOM 198 O SER A 92 45.398 1.197 -3.127 1.00 25.00 O ATOM 199 CB SER A 92 43.136 2.974 -2.917 1.00 25.00 C ATOM 200 OG SER A 92 43.101 2.112 -1.789 1.00 25.00 O ATOM 0 H SER A 92 43.037 0.167 -3.893 1.00 25.00 H new ATOM 0 HA SER A 92 43.340 2.834 -5.052 1.00 25.00 H new ATOM 0 HB2 SER A 92 43.869 3.764 -2.755 1.00 25.00 H new ATOM 0 HB3 SER A 92 42.167 3.458 -3.041 1.00 25.00 H new ATOM 0 HG SER A 92 43.867 1.501 -1.820 1.00 25.00 H new ATOM 206 N SER A 93 45.679 1.961 -5.217 1.00 25.00 N ATOM 207 CA SER A 93 47.091 1.601 -5.289 1.00 25.00 C ATOM 208 C SER A 93 47.745 2.486 -6.342 1.00 25.00 C ATOM 209 O SER A 93 47.046 3.124 -7.126 1.00 25.00 O ATOM 210 CB SER A 93 47.255 0.127 -5.675 1.00 25.00 C ATOM 211 OG SER A 93 46.795 -0.105 -6.993 1.00 25.00 O ATOM 0 H SER A 93 45.313 2.385 -6.069 1.00 25.00 H new ATOM 0 HA SER A 93 47.561 1.747 -4.316 1.00 25.00 H new ATOM 0 HB2 SER A 93 48.304 -0.159 -5.596 1.00 25.00 H new ATOM 0 HB3 SER A 93 46.700 -0.500 -4.977 1.00 25.00 H new ATOM 0 HG SER A 93 45.911 -0.527 -6.961 1.00 25.00 H new ATOM 217 N GLY A 94 49.072 2.509 -6.363 1.00 25.00 N ATOM 218 CA GLY A 94 49.802 3.310 -7.336 1.00 25.00 C ATOM 219 C GLY A 94 50.066 4.717 -6.835 1.00 25.00 C ATOM 220 O GLY A 94 49.374 5.204 -5.948 1.00 25.00 O ATOM 0 H GLY A 94 49.663 1.983 -5.719 1.00 25.00 H new ATOM 0 HA2 GLY A 94 50.750 2.824 -7.566 1.00 25.00 H new ATOM 0 HA3 GLY A 94 49.234 3.357 -8.265 1.00 25.00 H new ATOM 224 N HIS A 95 51.089 5.358 -7.390 1.00 25.00 N ATOM 225 CA HIS A 95 51.441 6.736 -7.023 1.00 25.00 C ATOM 226 C HIS A 95 52.386 7.340 -8.061 1.00 25.00 C ATOM 227 O HIS A 95 52.192 8.465 -8.511 1.00 25.00 O ATOM 228 CB HIS A 95 52.132 6.774 -5.646 1.00 25.00 C ATOM 229 CG HIS A 95 52.174 8.141 -5.026 1.00 25.00 C ATOM 230 ND1 HIS A 95 52.222 9.320 -5.731 1.00 25.00 N ATOM 231 CD2 HIS A 95 52.160 8.515 -3.718 1.00 25.00 C ATOM 232 CE1 HIS A 95 52.244 10.324 -4.861 1.00 25.00 C ATOM 233 NE2 HIS A 95 52.214 9.892 -3.618 1.00 25.00 N ATOM 0 H HIS A 95 51.695 4.947 -8.100 1.00 25.00 H new ATOM 0 HA HIS A 95 50.518 7.314 -6.983 1.00 25.00 H new ATOM 0 HB2 HIS A 95 51.612 6.095 -4.970 1.00 25.00 H new ATOM 0 HB3 HIS A 95 53.151 6.401 -5.751 1.00 25.00 H new ATOM 0 HD1 HIS A 95 52.238 9.409 -6.747 1.00 25.00 H new ATOM 0 HD2 HIS A 95 52.113 7.835 -2.880 1.00 25.00 H new ATOM 0 HE1 HIS A 95 52.282 11.367 -5.140 1.00 25.00 H new ATOM 241 N ILE A 96 53.438 6.602 -8.395 1.00 25.00 N ATOM 242 CA ILE A 96 54.473 7.078 -9.312 1.00 25.00 C ATOM 243 C ILE A 96 54.830 5.986 -10.316 1.00 25.00 C ATOM 244 O ILE A 96 54.580 4.809 -10.071 1.00 25.00 O ATOM 245 CB ILE A 96 55.775 7.483 -8.530 1.00 25.00 C ATOM 246 CG1 ILE A 96 56.320 6.284 -7.713 1.00 25.00 C ATOM 247 CG2 ILE A 96 55.487 8.687 -7.594 1.00 25.00 C ATOM 248 CD1 ILE A 96 57.725 6.488 -7.124 1.00 25.00 C ATOM 0 H ILE A 96 53.600 5.659 -8.040 1.00 25.00 H new ATOM 0 HA ILE A 96 54.078 7.951 -9.832 1.00 25.00 H new ATOM 0 HB ILE A 96 56.534 7.776 -9.255 1.00 25.00 H new ATOM 0 HG12 ILE A 96 55.627 6.073 -6.898 1.00 25.00 H new ATOM 0 HG13 ILE A 96 56.335 5.403 -8.354 1.00 25.00 H new ATOM 0 HG21 ILE A 96 56.397 8.957 -7.058 1.00 25.00 H new ATOM 0 HG22 ILE A 96 55.149 9.537 -8.187 1.00 25.00 H new ATOM 0 HG23 ILE A 96 54.712 8.414 -6.878 1.00 25.00 H new ATOM 0 HD11 ILE A 96 58.020 5.597 -6.570 1.00 25.00 H new ATOM 0 HD12 ILE A 96 58.436 6.666 -7.931 1.00 25.00 H new ATOM 0 HD13 ILE A 96 57.717 7.346 -6.452 1.00 25.00 H new ATOM 260 N GLU A 97 55.466 6.383 -11.410 1.00 25.00 N ATOM 261 CA GLU A 97 55.956 5.446 -12.431 1.00 25.00 C ATOM 262 C GLU A 97 57.485 5.356 -12.338 1.00 25.00 C ATOM 263 O GLU A 97 58.156 4.792 -13.201 1.00 25.00 O ATOM 264 CB GLU A 97 55.549 5.928 -13.828 1.00 25.00 C ATOM 265 CG GLU A 97 54.043 5.937 -14.052 1.00 25.00 C ATOM 266 CD GLU A 97 53.679 6.372 -15.462 1.00 25.00 C ATOM 267 OE1 GLU A 97 54.129 5.715 -16.428 1.00 25.00 O ATOM 268 OE2 GLU A 97 52.956 7.380 -15.605 1.00 25.00 O1- ATOM 0 H GLU A 97 55.660 7.362 -11.621 1.00 25.00 H new ATOM 0 HA GLU A 97 55.518 4.463 -12.259 1.00 25.00 H new ATOM 0 HB2 GLU A 97 55.938 6.934 -13.984 1.00 25.00 H new ATOM 0 HB3 GLU A 97 56.016 5.286 -14.575 1.00 25.00 H new ATOM 0 HG2 GLU A 97 53.643 4.940 -13.866 1.00 25.00 H new ATOM 0 HG3 GLU A 97 53.574 6.608 -13.333 1.00 25.00 H new ATOM 275 N GLY A 98 58.034 5.938 -11.281 1.00 25.00 N ATOM 276 CA GLY A 98 59.477 5.965 -11.106 1.00 25.00 C ATOM 277 C GLY A 98 60.120 7.016 -11.992 1.00 25.00 C ATOM 278 O GLY A 98 59.581 8.112 -12.133 1.00 25.00 O ATOM 0 H GLY A 98 57.506 6.394 -10.537 1.00 25.00 H new ATOM 0 HA2 GLY A 98 59.715 6.171 -10.062 1.00 25.00 H new ATOM 0 HA3 GLY A 98 59.892 4.985 -11.340 1.00 25.00 H new ATOM 282 N ARG A 99 61.277 6.677 -12.562 1.00 25.00 N ATOM 283 CA ARG A 99 62.042 7.544 -13.490 1.00 25.00 C ATOM 284 C ARG A 99 62.423 8.938 -12.955 1.00 25.00 C ATOM 285 O ARG A 99 62.732 9.840 -13.722 1.00 25.00 O ATOM 286 CB ARG A 99 61.289 7.681 -14.825 1.00 25.00 C ATOM 287 CG ARG A 99 62.222 7.797 -16.044 1.00 25.00 C ATOM 288 CD ARG A 99 61.466 8.154 -17.315 1.00 25.00 C ATOM 289 NE ARG A 99 60.551 7.080 -17.736 1.00 25.00 N ATOM 290 CZ ARG A 99 59.862 7.065 -18.871 1.00 25.00 C ATOM 291 NH1 ARG A 99 59.944 8.032 -19.752 1.00 25.00 N1+ ATOM 292 NH2 ARG A 99 59.075 6.056 -19.124 1.00 25.00 N ATOM 0 H ARG A 99 61.726 5.777 -12.395 1.00 25.00 H new ATOM 0 HA ARG A 99 62.994 7.030 -13.623 1.00 25.00 H new ATOM 0 HB2 ARG A 99 60.637 6.817 -14.956 1.00 25.00 H new ATOM 0 HB3 ARG A 99 60.647 8.561 -14.783 1.00 25.00 H new ATOM 0 HG2 ARG A 99 62.979 8.556 -15.849 1.00 25.00 H new ATOM 0 HG3 ARG A 99 62.747 6.853 -16.189 1.00 25.00 H new ATOM 0 HD2 ARG A 99 60.898 9.070 -17.153 1.00 25.00 H new ATOM 0 HD3 ARG A 99 62.178 8.357 -18.115 1.00 25.00 H new ATOM 0 HE ARG A 99 60.438 6.285 -17.107 1.00 25.00 H new ATOM 0 HH11 ARG A 99 60.553 8.831 -19.577 1.00 25.00 H new ATOM 0 HH12 ARG A 99 59.399 7.985 -20.613 1.00 25.00 H new ATOM 0 HH21 ARG A 99 58.995 5.291 -18.454 1.00 25.00 H new ATOM 0 HH22 ARG A 99 58.540 6.032 -19.992 1.00 25.00 H new ATOM 306 N HIS A 100 62.471 9.083 -11.642 1.00 25.00 N ATOM 307 CA HIS A 100 62.908 10.328 -11.015 1.00 25.00 C ATOM 308 C HIS A 100 63.757 9.920 -9.827 1.00 25.00 C ATOM 309 O HIS A 100 63.751 8.745 -9.455 1.00 25.00 O ATOM 310 CB HIS A 100 61.710 11.186 -10.592 1.00 25.00 C ATOM 311 CG HIS A 100 60.873 10.569 -9.520 1.00 25.00 C ATOM 312 ND1 HIS A 100 59.708 9.847 -9.775 1.00 25.00 N ATOM 313 CD2 HIS A 100 60.994 10.564 -8.166 1.00 25.00 C ATOM 314 CE1 HIS A 100 59.182 9.463 -8.619 1.00 25.00 C ATOM 315 NE2 HIS A 100 59.945 9.879 -7.642 1.00 25.00 N ATOM 0 H HIS A 100 62.211 8.350 -10.981 1.00 25.00 H new ATOM 0 HA HIS A 100 63.480 10.945 -11.708 1.00 25.00 H new ATOM 0 HB2 HIS A 100 62.073 12.153 -10.245 1.00 25.00 H new ATOM 0 HB3 HIS A 100 61.085 11.375 -11.464 1.00 25.00 H new ATOM 0 HD1 HIS A 100 59.323 9.647 -10.698 1.00 25.00 H new ATOM 0 HD2 HIS A 100 61.790 11.027 -7.602 1.00 25.00 H new ATOM 0 HE1 HIS A 100 58.269 8.897 -8.503 1.00 25.00 H new ATOM 323 N MET A 101 64.500 10.861 -9.273 1.00 25.00 N ATOM 324 CA MET A 101 65.468 10.591 -8.212 1.00 25.00 C ATOM 325 C MET A 101 65.348 11.633 -7.105 1.00 25.00 C ATOM 326 O MET A 101 64.770 12.698 -7.318 1.00 25.00 O ATOM 327 CB MET A 101 66.880 10.616 -8.815 1.00 25.00 C ATOM 328 CG MET A 101 67.261 11.957 -9.438 1.00 25.00 C ATOM 329 SD MET A 101 68.648 11.810 -10.570 1.00 25.00 S ATOM 330 CE MET A 101 68.814 13.527 -11.116 1.00 25.00 C ATOM 0 H MET A 101 64.452 11.843 -9.545 1.00 25.00 H new ATOM 0 HA MET A 101 65.270 9.611 -7.777 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.602 10.370 -8.036 1.00 25.00 H new ATOM 0 HB3 MET A 101 66.954 9.839 -9.576 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.402 12.366 -9.970 1.00 25.00 H new ATOM 0 HG3 MET A 101 67.513 12.664 -8.648 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.637 13.605 -11.827 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.889 13.847 -11.595 1.00 25.00 H new ATOM 0 HE3 MET A 101 69.016 14.165 -10.255 1.00 25.00 H new ATOM 340 N LEU A 102 65.866 11.315 -5.929 1.00 25.00 N ATOM 341 CA LEU A 102 65.815 12.203 -4.770 1.00 25.00 C ATOM 342 C LEU A 102 67.189 12.829 -4.528 1.00 25.00 C ATOM 343 O LEU A 102 68.200 12.139 -4.536 1.00 25.00 O ATOM 344 CB LEU A 102 65.403 11.392 -3.535 1.00 25.00 C ATOM 345 CG LEU A 102 65.097 12.191 -2.257 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.723 12.865 -2.352 1.00 25.00 C ATOM 347 CD2 LEU A 102 65.127 11.266 -1.045 1.00 25.00 C ATOM 0 H LEU A 102 66.337 10.429 -5.747 1.00 25.00 H new ATOM 0 HA LEU A 102 65.090 12.996 -4.955 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.520 10.807 -3.791 1.00 25.00 H new ATOM 0 HB3 LEU A 102 66.201 10.684 -3.311 1.00 25.00 H new ATOM 0 HG LEU A 102 65.859 12.963 -2.147 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.528 13.424 -1.437 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.710 13.546 -3.203 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.953 12.105 -2.483 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.909 11.840 -0.144 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.379 10.483 -1.166 1.00 25.00 H new ATOM 0 HD23 LEU A 102 66.115 10.813 -0.957 1.00 25.00 H new ATOM 359 N LEU A 103 67.215 14.128 -4.282 1.00 25.00 N ATOM 360 CA LEU A 103 68.451 14.845 -3.956 1.00 25.00 C ATOM 361 C LEU A 103 68.245 15.579 -2.647 1.00 25.00 C ATOM 362 O LEU A 103 67.132 15.981 -2.336 1.00 25.00 O ATOM 363 CB LEU A 103 68.795 15.867 -5.046 1.00 25.00 C ATOM 364 CG LEU A 103 69.123 15.313 -6.440 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.337 16.483 -7.393 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.366 14.449 -6.418 1.00 25.00 C ATOM 0 H LEU A 103 66.385 14.721 -4.301 1.00 25.00 H new ATOM 0 HA LEU A 103 69.269 14.128 -3.881 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.955 16.555 -5.143 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.648 16.453 -4.704 1.00 25.00 H new ATOM 0 HG LEU A 103 68.290 14.692 -6.771 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.571 16.104 -8.388 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.430 17.086 -7.438 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.163 17.097 -7.035 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.567 14.075 -7.422 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.215 15.041 -6.075 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.213 13.608 -5.741 1.00 25.00 H new ATOM 378 N THR A 104 69.314 15.776 -1.896 1.00 25.00 N ATOM 379 CA THR A 104 69.245 16.505 -0.630 1.00 25.00 C ATOM 380 C THR A 104 69.820 17.895 -0.851 1.00 25.00 C ATOM 381 O THR A 104 70.837 18.042 -1.513 1.00 25.00 O ATOM 382 CB THR A 104 70.048 15.767 0.461 1.00 25.00 C ATOM 383 OG1 THR A 104 69.600 14.411 0.530 1.00 25.00 O ATOM 384 CG2 THR A 104 69.856 16.396 1.834 1.00 25.00 C ATOM 0 H THR A 104 70.247 15.442 -2.138 1.00 25.00 H new ATOM 0 HA THR A 104 68.209 16.574 -0.297 1.00 25.00 H new ATOM 0 HB THR A 104 71.103 15.829 0.194 1.00 25.00 H new ATOM 0 HG1 THR A 104 70.107 13.934 1.220 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.439 15.845 2.572 1.00 25.00 H new ATOM 0 HG22 THR A 104 70.190 17.433 1.809 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.801 16.361 2.106 1.00 25.00 H new ATOM 392 N VAL A 105 69.165 18.914 -0.320 1.00 25.00 N ATOM 393 CA VAL A 105 69.623 20.292 -0.467 1.00 25.00 C ATOM 394 C VAL A 105 69.765 20.911 0.920 1.00 25.00 C ATOM 395 O VAL A 105 68.843 20.877 1.729 1.00 25.00 O ATOM 396 CB VAL A 105 68.631 21.123 -1.316 1.00 25.00 C ATOM 397 CG1 VAL A 105 69.117 22.580 -1.471 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.447 20.488 -2.702 1.00 25.00 C ATOM 0 H VAL A 105 68.307 18.815 0.222 1.00 25.00 H new ATOM 0 HA VAL A 105 70.584 20.294 -0.982 1.00 25.00 H new ATOM 0 HB VAL A 105 67.673 21.131 -0.795 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.401 23.140 -2.072 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.205 23.041 -0.487 1.00 25.00 H new ATOM 0 HG13 VAL A 105 70.089 22.589 -1.964 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.746 21.085 -3.286 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.408 20.451 -3.216 1.00 25.00 H new ATOM 0 HG23 VAL A 105 68.056 19.477 -2.590 1.00 25.00 H new ATOM 408 N TYR A 106 70.939 21.460 1.186 1.00 25.00 N ATOM 409 CA TYR A 106 71.255 22.088 2.466 1.00 25.00 C ATOM 410 C TYR A 106 71.430 23.584 2.242 1.00 25.00 C ATOM 411 O TYR A 106 72.385 24.016 1.604 1.00 25.00 O ATOM 412 CB TYR A 106 72.534 21.457 3.019 1.00 25.00 C ATOM 413 CG TYR A 106 73.101 22.092 4.277 1.00 25.00 C ATOM 414 CD1 TYR A 106 72.265 22.587 5.307 1.00 25.00 C ATOM 415 CD2 TYR A 106 74.497 22.183 4.450 1.00 25.00 C ATOM 416 CE1 TYR A 106 72.826 23.148 6.497 1.00 25.00 C ATOM 417 CE2 TYR A 106 75.054 22.739 5.627 1.00 25.00 C ATOM 418 CZ TYR A 106 74.221 23.211 6.640 1.00 25.00 C ATOM 419 OH TYR A 106 74.828 23.739 7.750 1.00 25.00 O ATOM 0 H TYR A 106 71.708 21.484 0.517 1.00 25.00 H new ATOM 0 HA TYR A 106 70.453 21.935 3.189 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.337 20.405 3.224 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.298 21.492 2.242 1.00 25.00 H new ATOM 0 HD1 TYR A 106 71.192 22.540 5.193 1.00 25.00 H new ATOM 0 HD2 TYR A 106 75.153 21.822 3.671 1.00 25.00 H new ATOM 0 HE1 TYR A 106 72.181 23.520 7.279 1.00 25.00 H new ATOM 0 HE2 TYR A 106 76.126 22.798 5.740 1.00 25.00 H new ATOM 0 HH TYR A 106 74.156 23.897 8.446 1.00 25.00 H new ATOM 429 N CYS A 107 70.487 24.369 2.739 1.00 25.00 N ATOM 430 CA CYS A 107 70.499 25.817 2.571 1.00 25.00 C ATOM 431 C CYS A 107 71.090 26.447 3.818 1.00 25.00 C ATOM 432 O CYS A 107 70.693 26.119 4.927 1.00 25.00 O ATOM 433 CB CYS A 107 69.072 26.332 2.359 1.00 25.00 C ATOM 434 SG CYS A 107 68.945 28.146 2.319 1.00 25.00 S ATOM 0 H CYS A 107 69.690 24.021 3.271 1.00 25.00 H new ATOM 0 HA CYS A 107 71.099 26.081 1.700 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.686 25.929 1.423 1.00 25.00 H new ATOM 0 HB3 CYS A 107 68.435 25.950 3.157 1.00 25.00 H new ATOM 0 HG CYS A 107 69.637 28.608 1.320 1.00 25.00 H new ATOM 440 N VAL A 108 72.058 27.333 3.629 1.00 25.00 N ATOM 441 CA VAL A 108 72.780 27.950 4.739 1.00 25.00 C ATOM 442 C VAL A 108 72.675 29.470 4.704 1.00 25.00 C ATOM 443 O VAL A 108 72.938 30.103 3.673 1.00 25.00 O ATOM 444 CB VAL A 108 74.290 27.561 4.696 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.006 28.001 5.989 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.446 26.050 4.507 1.00 25.00 C ATOM 0 H VAL A 108 72.366 27.645 2.708 1.00 25.00 H new ATOM 0 HA VAL A 108 72.322 27.581 5.657 1.00 25.00 H new ATOM 0 HB VAL A 108 74.747 28.076 3.851 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.058 27.719 5.936 1.00 25.00 H new ATOM 0 HG12 VAL A 108 74.925 29.082 6.100 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.542 27.513 6.846 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.505 25.794 4.479 1.00 25.00 H new ATOM 0 HG22 VAL A 108 73.969 25.528 5.336 1.00 25.00 H new ATOM 0 HG23 VAL A 108 73.975 25.750 3.571 1.00 25.00 H new ATOM 456 N ARG A 109 72.345 30.057 5.848 1.00 25.00 N ATOM 457 CA ARG A 109 72.342 31.504 6.024 1.00 25.00 C ATOM 458 C ARG A 109 73.189 31.812 7.242 1.00 25.00 C ATOM 459 O ARG A 109 73.176 31.056 8.202 1.00 25.00 O ATOM 460 CB ARG A 109 70.921 32.008 6.260 1.00 25.00 C ATOM 461 CG ARG A 109 70.013 31.881 5.046 1.00 25.00 C ATOM 462 CD ARG A 109 68.715 32.660 5.229 1.00 25.00 C ATOM 463 NE ARG A 109 68.921 34.121 5.145 1.00 25.00 N ATOM 464 CZ ARG A 109 68.301 35.034 5.888 1.00 25.00 C ATOM 465 NH1 ARG A 109 67.431 34.719 6.816 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 68.569 36.296 5.694 1.00 25.00 N ATOM 0 H ARG A 109 72.071 29.540 6.684 1.00 25.00 H new ATOM 0 HA ARG A 109 72.736 31.993 5.133 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.482 31.453 7.089 1.00 25.00 H new ATOM 0 HB3 ARG A 109 70.963 33.054 6.563 1.00 25.00 H new ATOM 0 HG2 ARG A 109 70.535 32.246 4.161 1.00 25.00 H new ATOM 0 HG3 ARG A 109 69.785 30.830 4.870 1.00 25.00 H new ATOM 0 HD2 ARG A 109 67.999 32.352 4.467 1.00 25.00 H new ATOM 0 HD3 ARG A 109 68.278 32.412 6.196 1.00 25.00 H new ATOM 0 HE ARG A 109 69.596 34.458 4.459 1.00 25.00 H new ATOM 0 HH11 ARG A 109 67.205 33.740 6.992 1.00 25.00 H new ATOM 0 HH12 ARG A 109 66.980 35.453 7.362 1.00 25.00 H new ATOM 0 HH21 ARG A 109 69.245 36.570 4.981 1.00 25.00 H new ATOM 0 HH22 ARG A 109 68.102 37.009 6.255 1.00 25.00 H new ATOM 480 N ARG A 110 73.870 32.952 7.229 1.00 25.00 N ATOM 481 CA ARG A 110 74.694 33.385 8.373 1.00 25.00 C ATOM 482 C ARG A 110 73.862 33.485 9.649 1.00 25.00 C ATOM 483 O ARG A 110 74.372 33.325 10.748 1.00 25.00 O ATOM 484 CB ARG A 110 75.336 34.751 8.061 1.00 25.00 C ATOM 485 CG ARG A 110 76.311 35.264 9.140 1.00 25.00 C ATOM 486 CD ARG A 110 75.626 36.252 10.105 1.00 25.00 C ATOM 487 NE ARG A 110 76.488 36.608 11.247 1.00 25.00 N ATOM 488 CZ ARG A 110 76.539 35.959 12.409 1.00 25.00 C ATOM 489 NH1 ARG A 110 75.829 34.888 12.662 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 77.332 36.402 13.344 1.00 25.00 N ATOM 0 H ARG A 110 73.874 33.601 6.442 1.00 25.00 H new ATOM 0 HA ARG A 110 75.473 32.639 8.534 1.00 25.00 H new ATOM 0 HB2 ARG A 110 75.869 34.679 7.113 1.00 25.00 H new ATOM 0 HB3 ARG A 110 74.544 35.488 7.926 1.00 25.00 H new ATOM 0 HG2 ARG A 110 76.706 34.419 9.704 1.00 25.00 H new ATOM 0 HG3 ARG A 110 77.160 35.753 8.661 1.00 25.00 H new ATOM 0 HD2 ARG A 110 75.354 37.157 9.562 1.00 25.00 H new ATOM 0 HD3 ARG A 110 74.700 35.812 10.475 1.00 25.00 H new ATOM 0 HE ARG A 110 77.096 37.419 11.138 1.00 25.00 H new ATOM 0 HH11 ARG A 110 75.200 34.514 11.952 1.00 25.00 H new ATOM 0 HH12 ARG A 110 75.905 34.428 13.569 1.00 25.00 H new ATOM 0 HH21 ARG A 110 77.900 37.233 13.179 1.00 25.00 H new ATOM 0 HH22 ARG A 110 77.384 35.918 14.240 1.00 25.00 H new ATOM 504 N ASP A 111 72.584 33.767 9.482 1.00 25.00 N ATOM 505 CA ASP A 111 71.660 33.980 10.596 1.00 25.00 C ATOM 506 C ASP A 111 71.241 32.695 11.329 1.00 25.00 C ATOM 507 O ASP A 111 70.313 32.718 12.120 1.00 25.00 O ATOM 508 CB ASP A 111 70.406 34.660 10.032 1.00 25.00 C ATOM 509 CG ASP A 111 69.855 35.738 10.946 1.00 25.00 C ATOM 510 OD1 ASP A 111 70.623 36.293 11.761 1.00 25.00 O ATOM 511 OD2 ASP A 111 68.690 36.132 10.731 1.00 25.00 O1- ATOM 0 H ASP A 111 72.148 33.857 8.564 1.00 25.00 H new ATOM 0 HA ASP A 111 72.179 34.590 11.335 1.00 25.00 H new ATOM 0 HB2 ASP A 111 70.642 35.099 9.063 1.00 25.00 H new ATOM 0 HB3 ASP A 111 69.636 33.907 9.862 1.00 25.00 H new ATOM 516 N LEU A 112 71.896 31.576 11.005 1.00 25.00 N ATOM 517 CA LEU A 112 71.572 30.239 11.552 1.00 25.00 C ATOM 518 C LEU A 112 70.127 29.864 11.215 1.00 25.00 C ATOM 519 O LEU A 112 69.489 29.061 11.875 1.00 25.00 O ATOM 520 CB LEU A 112 71.836 30.154 13.066 1.00 25.00 C ATOM 521 CG LEU A 112 73.269 30.486 13.521 1.00 25.00 C ATOM 522 CD1 LEU A 112 73.330 30.473 15.048 1.00 25.00 C ATOM 523 CD2 LEU A 112 74.293 29.489 12.955 1.00 25.00 C ATOM 0 H LEU A 112 72.677 31.565 10.348 1.00 25.00 H new ATOM 0 HA LEU A 112 72.236 29.516 11.079 1.00 25.00 H new ATOM 0 HB2 LEU A 112 71.149 30.831 13.573 1.00 25.00 H new ATOM 0 HB3 LEU A 112 71.594 29.145 13.401 1.00 25.00 H new ATOM 0 HG LEU A 112 73.524 31.475 13.141 1.00 25.00 H new ATOM 0 HD11 LEU A 112 74.343 30.708 15.374 1.00 25.00 H new ATOM 0 HD12 LEU A 112 72.640 31.217 15.446 1.00 25.00 H new ATOM 0 HD13 LEU A 112 73.051 29.485 15.415 1.00 25.00 H new ATOM 0 HD21 LEU A 112 75.292 29.758 13.299 1.00 25.00 H new ATOM 0 HD22 LEU A 112 74.050 28.483 13.298 1.00 25.00 H new ATOM 0 HD23 LEU A 112 74.265 29.518 11.866 1.00 25.00 H new ATOM 535 N SER A 113 69.665 30.443 10.119 1.00 25.00 N ATOM 536 CA SER A 113 68.337 30.207 9.550 1.00 25.00 C ATOM 537 C SER A 113 68.460 29.056 8.547 1.00 25.00 C ATOM 538 O SER A 113 67.720 28.970 7.570 1.00 25.00 O ATOM 539 CB SER A 113 67.838 31.492 8.878 1.00 25.00 C ATOM 540 OG SER A 113 66.581 31.324 8.248 1.00 25.00 O ATOM 0 H SER A 113 70.216 31.111 9.580 1.00 25.00 H new ATOM 0 HA SER A 113 67.614 29.936 10.319 1.00 25.00 H new ATOM 0 HB2 SER A 113 67.763 32.283 9.625 1.00 25.00 H new ATOM 0 HB3 SER A 113 68.570 31.819 8.139 1.00 25.00 H new ATOM 0 HG SER A 113 66.548 30.446 7.814 1.00 25.00 H new ATOM 546 N GLU A 114 69.509 28.271 8.723 1.00 25.00 N ATOM 547 CA GLU A 114 69.845 27.183 7.819 1.00 25.00 C ATOM 548 C GLU A 114 68.872 26.011 7.973 1.00 25.00 C ATOM 549 O GLU A 114 68.284 25.807 9.034 1.00 25.00 O ATOM 550 CB GLU A 114 71.283 26.729 8.098 1.00 25.00 C ATOM 551 CG GLU A 114 71.518 26.182 9.499 1.00 25.00 C ATOM 552 CD GLU A 114 72.991 25.979 9.770 1.00 25.00 C ATOM 553 OE1 GLU A 114 73.705 26.991 9.955 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 73.452 24.819 9.741 1.00 25.00 O1- ATOM 0 H GLU A 114 70.157 28.371 9.504 1.00 25.00 H new ATOM 0 HA GLU A 114 69.764 27.539 6.792 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.554 25.961 7.373 1.00 25.00 H new ATOM 0 HB3 GLU A 114 71.954 27.573 7.935 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.102 26.870 10.235 1.00 25.00 H new ATOM 0 HG3 GLU A 114 70.991 25.235 9.615 1.00 25.00 H new ATOM 561 N VAL A 115 68.688 25.265 6.893 1.00 25.00 N ATOM 562 CA VAL A 115 67.743 24.149 6.866 1.00 25.00 C ATOM 563 C VAL A 115 68.230 23.152 5.818 1.00 25.00 C ATOM 564 O VAL A 115 68.847 23.537 4.829 1.00 25.00 O ATOM 565 CB VAL A 115 66.286 24.669 6.539 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.213 25.319 5.141 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.246 23.543 6.661 1.00 25.00 C ATOM 0 H VAL A 115 69.184 25.412 6.014 1.00 25.00 H new ATOM 0 HA VAL A 115 67.694 23.661 7.839 1.00 25.00 H new ATOM 0 HB VAL A 115 66.050 25.434 7.279 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.196 25.664 4.953 1.00 25.00 H new ATOM 0 HG12 VAL A 115 66.897 26.166 5.097 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.494 24.587 4.384 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.256 23.936 6.430 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.492 22.743 5.962 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.252 23.151 7.678 1.00 25.00 H new ATOM 577 N THR A 116 67.968 21.872 6.025 1.00 25.00 N ATOM 578 CA THR A 116 68.313 20.847 5.046 1.00 25.00 C ATOM 579 C THR A 116 67.044 20.052 4.792 1.00 25.00 C ATOM 580 O THR A 116 66.265 19.803 5.713 1.00 25.00 O ATOM 581 CB THR A 116 69.493 19.944 5.520 1.00 25.00 C ATOM 582 OG1 THR A 116 69.580 18.779 4.697 1.00 25.00 O ATOM 583 CG2 THR A 116 69.339 19.511 6.974 1.00 25.00 C ATOM 0 H THR A 116 67.515 21.514 6.866 1.00 25.00 H new ATOM 0 HA THR A 116 68.673 21.303 4.124 1.00 25.00 H new ATOM 0 HB THR A 116 70.403 20.538 5.436 1.00 25.00 H new ATOM 0 HG1 THR A 116 70.325 18.219 5.001 1.00 25.00 H new ATOM 0 HG21 THR A 116 70.184 18.884 7.258 1.00 25.00 H new ATOM 0 HG22 THR A 116 69.309 20.392 7.615 1.00 25.00 H new ATOM 0 HG23 THR A 116 68.414 18.947 7.090 1.00 25.00 H new ATOM 591 N PHE A 117 66.801 19.737 3.532 1.00 25.00 N ATOM 592 CA PHE A 117 65.567 19.090 3.099 1.00 25.00 C ATOM 593 C PHE A 117 65.905 18.284 1.857 1.00 25.00 C ATOM 594 O PHE A 117 67.028 18.358 1.372 1.00 25.00 O ATOM 595 CB PHE A 117 64.498 20.151 2.794 1.00 25.00 C ATOM 596 CG PHE A 117 64.969 21.249 1.871 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.855 21.113 0.475 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.511 22.437 2.397 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.267 22.160 -0.391 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.932 23.489 1.541 1.00 25.00 C ATOM 601 CZ PHE A 117 65.805 23.348 0.145 1.00 25.00 C ATOM 0 H PHE A 117 67.456 19.923 2.773 1.00 25.00 H new ATOM 0 HA PHE A 117 65.165 18.439 3.875 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.632 19.662 2.348 1.00 25.00 H new ATOM 0 HB3 PHE A 117 64.165 20.596 3.731 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.450 20.203 0.058 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.608 22.550 3.467 1.00 25.00 H new ATOM 0 HE1 PHE A 117 65.168 22.046 -1.460 1.00 25.00 H new ATOM 0 HE2 PHE A 117 66.348 24.394 1.959 1.00 25.00 H new ATOM 0 HZ PHE A 117 66.118 24.146 -0.512 1.00 25.00 H new ATOM 611 N SER A 118 64.955 17.528 1.332 1.00 25.00 N ATOM 612 CA SER A 118 65.194 16.733 0.132 1.00 25.00 C ATOM 613 C SER A 118 64.101 16.995 -0.888 1.00 25.00 C ATOM 614 O SER A 118 62.966 17.281 -0.528 1.00 25.00 O ATOM 615 CB SER A 118 65.250 15.244 0.476 1.00 25.00 C ATOM 616 OG SER A 118 66.283 14.980 1.416 1.00 25.00 O ATOM 0 H SER A 118 64.013 17.446 1.714 1.00 25.00 H new ATOM 0 HA SER A 118 66.155 17.023 -0.293 1.00 25.00 H new ATOM 0 HB2 SER A 118 64.291 14.924 0.884 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.420 14.663 -0.431 1.00 25.00 H new ATOM 0 HG SER A 118 66.300 14.022 1.623 1.00 25.00 H new ATOM 622 N LEU A 119 64.466 16.920 -2.159 1.00 25.00 N ATOM 623 CA LEU A 119 63.558 17.200 -3.268 1.00 25.00 C ATOM 624 C LEU A 119 63.661 16.091 -4.285 1.00 25.00 C ATOM 625 O LEU A 119 64.722 15.499 -4.452 1.00 25.00 O ATOM 626 CB LEU A 119 63.955 18.509 -3.952 1.00 25.00 C ATOM 627 CG LEU A 119 63.589 19.801 -3.216 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.265 20.962 -3.918 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.075 19.997 -3.203 1.00 25.00 C ATOM 0 H LEU A 119 65.407 16.661 -2.455 1.00 25.00 H new ATOM 0 HA LEU A 119 62.542 17.276 -2.881 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.034 18.499 -4.109 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.490 18.534 -4.938 1.00 25.00 H new ATOM 0 HG LEU A 119 63.928 19.745 -2.182 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.015 21.892 -3.407 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.345 20.818 -3.902 1.00 25.00 H new ATOM 0 HD13 LEU A 119 63.921 21.012 -4.951 1.00 25.00 H new ATOM 0 HD21 LEU A 119 61.832 20.920 -2.676 1.00 25.00 H new ATOM 0 HD22 LEU A 119 61.707 20.056 -4.227 1.00 25.00 H new ATOM 0 HD23 LEU A 119 61.603 19.155 -2.696 1.00 25.00 H new ATOM 641 N GLN A 120 62.577 15.837 -4.997 1.00 25.00 N ATOM 642 CA GLN A 120 62.587 14.832 -6.056 1.00 25.00 C ATOM 643 C GLN A 120 62.629 15.551 -7.398 1.00 25.00 C ATOM 644 O GLN A 120 61.942 16.555 -7.599 1.00 25.00 O ATOM 645 CB GLN A 120 61.383 13.879 -5.938 1.00 25.00 C ATOM 646 CG GLN A 120 60.010 14.489 -6.249 1.00 25.00 C ATOM 647 CD GLN A 120 59.491 14.062 -7.609 1.00 25.00 C ATOM 648 OE1 GLN A 120 58.970 12.965 -7.765 1.00 25.00 O ATOM 649 NE2 GLN A 120 59.641 14.908 -8.592 1.00 25.00 N ATOM 0 H GLN A 120 61.682 16.307 -4.866 1.00 25.00 H new ATOM 0 HA GLN A 120 63.472 14.202 -5.964 1.00 25.00 H new ATOM 0 HB2 GLN A 120 61.545 13.036 -6.610 1.00 25.00 H new ATOM 0 HB3 GLN A 120 61.360 13.479 -4.924 1.00 25.00 H new ATOM 0 HG2 GLN A 120 59.298 14.190 -5.480 1.00 25.00 H new ATOM 0 HG3 GLN A 120 60.080 15.576 -6.213 1.00 25.00 H new ATOM 0 HE21 GLN A 120 60.080 15.813 -8.423 1.00 25.00 H new ATOM 0 HE22 GLN A 120 59.319 14.664 -9.529 1.00 25.00 H new ATOM 658 N VAL A 121 63.469 15.062 -8.294 1.00 25.00 N ATOM 659 CA VAL A 121 63.663 15.672 -9.607 1.00 25.00 C ATOM 660 C VAL A 121 63.799 14.581 -10.653 1.00 25.00 C ATOM 661 O VAL A 121 64.139 13.443 -10.336 1.00 25.00 O ATOM 662 CB VAL A 121 64.960 16.537 -9.648 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.831 17.751 -8.739 1.00 25.00 C ATOM 664 CG2 VAL A 121 66.185 15.705 -9.229 1.00 25.00 C ATOM 0 H VAL A 121 64.038 14.230 -8.136 1.00 25.00 H new ATOM 0 HA VAL A 121 62.801 16.308 -9.807 1.00 25.00 H new ATOM 0 HB VAL A 121 65.098 16.878 -10.674 1.00 25.00 H new ATOM 0 HG11 VAL A 121 65.748 18.339 -8.785 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.991 18.363 -9.067 1.00 25.00 H new ATOM 0 HG13 VAL A 121 64.662 17.422 -7.714 1.00 25.00 H new ATOM 0 HG21 VAL A 121 67.078 16.329 -9.265 1.00 25.00 H new ATOM 0 HG22 VAL A 121 66.043 15.333 -8.214 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.303 14.863 -9.911 1.00 25.00 H new ATOM 674 N ASP A 122 63.553 14.930 -11.899 1.00 25.00 N ATOM 675 CA ASP A 122 63.714 13.996 -13.005 1.00 25.00 C ATOM 676 C ASP A 122 65.185 13.993 -13.425 1.00 25.00 C ATOM 677 O ASP A 122 65.952 14.866 -13.029 1.00 25.00 O ATOM 678 CB ASP A 122 62.813 14.425 -14.155 1.00 25.00 C ATOM 679 CG ASP A 122 61.352 14.410 -13.762 1.00 25.00 C ATOM 680 OD1 ASP A 122 60.844 13.326 -13.390 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 60.744 15.501 -13.702 1.00 25.00 O1- ATOM 0 H ASP A 122 63.238 15.860 -12.177 1.00 25.00 H new ATOM 0 HA ASP A 122 63.430 12.986 -12.708 1.00 25.00 H new ATOM 0 HB2 ASP A 122 63.091 15.428 -14.480 1.00 25.00 H new ATOM 0 HB3 ASP A 122 62.967 13.760 -15.005 1.00 25.00 H new ATOM 686 N ALA A 123 65.596 13.015 -14.216 1.00 25.00 N ATOM 687 CA ALA A 123 66.996 12.933 -14.638 1.00 25.00 C ATOM 688 C ALA A 123 67.358 14.118 -15.552 1.00 25.00 C ATOM 689 O ALA A 123 68.458 14.673 -15.485 1.00 25.00 O ATOM 690 CB ALA A 123 67.239 11.605 -15.366 1.00 25.00 C ATOM 0 H ALA A 123 64.995 12.274 -14.577 1.00 25.00 H new ATOM 0 HA ALA A 123 67.633 12.979 -13.755 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.282 11.547 -15.679 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.015 10.776 -14.695 1.00 25.00 H new ATOM 0 HB3 ALA A 123 66.594 11.547 -16.242 1.00 25.00 H new ATOM 696 N ASP A 124 66.422 14.478 -16.413 1.00 25.00 N ATOM 697 CA ASP A 124 66.605 15.539 -17.403 1.00 25.00 C ATOM 698 C ASP A 124 66.229 16.918 -16.856 1.00 25.00 C ATOM 699 O ASP A 124 66.319 17.917 -17.563 1.00 25.00 O ATOM 700 CB ASP A 124 65.759 15.226 -18.645 1.00 25.00 C ATOM 701 CG ASP A 124 64.280 15.067 -18.323 1.00 25.00 C ATOM 702 OD1 ASP A 124 63.938 14.128 -17.560 1.00 25.00 O ATOM 703 OD2 ASP A 124 63.461 15.833 -18.860 1.00 25.00 O1- ATOM 0 H ASP A 124 65.501 14.040 -16.449 1.00 25.00 H new ATOM 0 HA ASP A 124 67.663 15.571 -17.661 1.00 25.00 H new ATOM 0 HB2 ASP A 124 65.884 16.025 -19.375 1.00 25.00 H new ATOM 0 HB3 ASP A 124 66.126 14.310 -19.109 1.00 25.00 H new ATOM 708 N PHE A 125 65.859 16.973 -15.584 1.00 25.00 N ATOM 709 CA PHE A 125 65.504 18.233 -14.925 1.00 25.00 C ATOM 710 C PHE A 125 66.688 19.195 -14.999 1.00 25.00 C ATOM 711 O PHE A 125 67.811 18.836 -14.640 1.00 25.00 O ATOM 712 CB PHE A 125 65.172 17.937 -13.467 1.00 25.00 C ATOM 713 CG PHE A 125 64.182 18.875 -12.851 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.803 18.635 -12.993 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.608 19.970 -12.079 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.856 19.473 -12.366 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.666 20.805 -11.437 1.00 25.00 C ATOM 718 CZ PHE A 125 62.289 20.557 -11.581 1.00 25.00 C ATOM 0 H PHE A 125 65.795 16.154 -14.979 1.00 25.00 H new ATOM 0 HA PHE A 125 64.645 18.689 -15.417 1.00 25.00 H new ATOM 0 HB2 PHE A 125 64.783 16.921 -13.395 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.093 17.968 -12.885 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.465 17.800 -13.589 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.663 20.175 -11.976 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.800 19.282 -12.489 1.00 25.00 H new ATOM 0 HE2 PHE A 125 64.004 21.635 -10.835 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.568 21.195 -11.092 1.00 25.00 H new ATOM 728 N GLU A 126 66.454 20.397 -15.504 1.00 25.00 N ATOM 729 CA GLU A 126 67.539 21.364 -15.705 1.00 25.00 C ATOM 730 C GLU A 126 67.933 22.042 -14.407 1.00 25.00 C ATOM 731 O GLU A 126 67.111 22.221 -13.512 1.00 25.00 O ATOM 732 CB GLU A 126 67.151 22.450 -16.710 1.00 25.00 C ATOM 733 CG GLU A 126 67.089 21.959 -18.154 1.00 25.00 C ATOM 734 CD GLU A 126 67.066 23.107 -19.165 1.00 25.00 C ATOM 735 OE1 GLU A 126 67.578 24.213 -18.847 1.00 25.00 O ATOM 736 OE2 GLU A 126 66.607 22.896 -20.307 1.00 25.00 O1- ATOM 0 H GLU A 126 65.531 20.731 -15.783 1.00 25.00 H new ATOM 0 HA GLU A 126 68.382 20.791 -16.091 1.00 25.00 H new ATOM 0 HB2 GLU A 126 66.179 22.858 -16.433 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.870 23.267 -16.644 1.00 25.00 H new ATOM 0 HG2 GLU A 126 67.950 21.321 -18.354 1.00 25.00 H new ATOM 0 HG3 GLU A 126 66.199 21.345 -18.287 1.00 25.00 H new ATOM 743 N LEU A 127 69.178 22.489 -14.333 1.00 25.00 N ATOM 744 CA LEU A 127 69.660 23.210 -13.160 1.00 25.00 C ATOM 745 C LEU A 127 68.876 24.496 -12.946 1.00 25.00 C ATOM 746 O LEU A 127 68.611 24.883 -11.817 1.00 25.00 O ATOM 747 CB LEU A 127 71.131 23.569 -13.324 1.00 25.00 C ATOM 748 CG LEU A 127 72.060 23.169 -12.175 1.00 25.00 C ATOM 749 CD1 LEU A 127 73.445 23.685 -12.487 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.611 23.723 -10.821 1.00 25.00 C ATOM 0 H LEU A 127 69.873 22.366 -15.069 1.00 25.00 H new ATOM 0 HA LEU A 127 69.526 22.555 -12.299 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.497 23.102 -14.238 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.206 24.647 -13.465 1.00 25.00 H new ATOM 0 HG LEU A 127 72.041 22.082 -12.094 1.00 25.00 H new ATOM 0 HD11 LEU A 127 74.125 23.411 -11.681 1.00 25.00 H new ATOM 0 HD12 LEU A 127 73.795 23.246 -13.422 1.00 25.00 H new ATOM 0 HD13 LEU A 127 73.416 24.770 -12.584 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.310 23.405 -10.048 1.00 25.00 H new ATOM 0 HD22 LEU A 127 71.588 24.812 -10.863 1.00 25.00 H new ATOM 0 HD23 LEU A 127 70.615 23.348 -10.586 1.00 25.00 H new ATOM 762 N HIS A 128 68.492 25.154 -14.029 1.00 25.00 N ATOM 763 CA HIS A 128 67.698 26.376 -13.935 1.00 25.00 C ATOM 764 C HIS A 128 66.405 26.092 -13.177 1.00 25.00 C ATOM 765 O HIS A 128 66.037 26.817 -12.252 1.00 25.00 O ATOM 766 CB HIS A 128 67.369 26.892 -15.339 1.00 25.00 C ATOM 767 CG HIS A 128 66.495 28.107 -15.344 1.00 25.00 C ATOM 768 ND1 HIS A 128 66.864 29.335 -14.850 1.00 25.00 N ATOM 769 CD2 HIS A 128 65.218 28.276 -15.789 1.00 25.00 C ATOM 770 CE1 HIS A 128 65.840 30.171 -15.010 1.00 25.00 C ATOM 771 NE2 HIS A 128 64.813 29.579 -15.582 1.00 25.00 N ATOM 0 H HIS A 128 68.715 24.866 -14.982 1.00 25.00 H new ATOM 0 HA HIS A 128 68.271 27.134 -13.400 1.00 25.00 H new ATOM 0 HB2 HIS A 128 68.299 27.122 -15.859 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.877 26.099 -15.902 1.00 25.00 H new ATOM 0 HD2 HIS A 128 64.612 27.503 -16.238 1.00 25.00 H new ATOM 0 HE1 HIS A 128 65.851 31.208 -14.708 1.00 25.00 H new ATOM 0 HE2 HIS A 128 63.912 29.994 -15.821 1.00 25.00 H new ATOM 779 N ASN A 129 65.757 24.996 -13.541 1.00 25.00 N ATOM 780 CA ASN A 129 64.516 24.587 -12.899 1.00 25.00 C ATOM 781 C ASN A 129 64.784 24.151 -11.457 1.00 25.00 C ATOM 782 O ASN A 129 64.000 24.404 -10.566 1.00 25.00 O ATOM 783 CB ASN A 129 63.886 23.437 -13.697 1.00 25.00 C ATOM 784 CG ASN A 129 62.396 23.328 -13.480 1.00 25.00 C ATOM 785 OD1 ASN A 129 61.824 24.015 -12.660 1.00 25.00 O ATOM 786 ND2 ASN A 129 61.759 22.485 -14.246 1.00 25.00 N ATOM 0 H ASN A 129 66.072 24.370 -14.282 1.00 25.00 H new ATOM 0 HA ASN A 129 63.825 25.430 -12.878 1.00 25.00 H new ATOM 0 HB2 ASN A 129 64.085 23.584 -14.758 1.00 25.00 H new ATOM 0 HB3 ASN A 129 64.361 22.498 -13.411 1.00 25.00 H new ATOM 0 HD21 ASN A 129 60.747 22.388 -14.166 1.00 25.00 H new ATOM 0 HD22 ASN A 129 62.273 21.923 -14.925 1.00 25.00 H new ATOM 793 N PHE A 130 65.925 23.522 -11.222 1.00 25.00 N ATOM 794 CA PHE A 130 66.291 23.073 -9.877 1.00 25.00 C ATOM 795 C PHE A 130 66.472 24.235 -8.901 1.00 25.00 C ATOM 796 O PHE A 130 66.088 24.134 -7.740 1.00 25.00 O ATOM 797 CB PHE A 130 67.575 22.248 -9.944 1.00 25.00 C ATOM 798 CG PHE A 130 67.905 21.529 -8.662 1.00 25.00 C ATOM 799 CD1 PHE A 130 66.959 20.681 -8.052 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.171 21.680 -8.063 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.276 19.979 -6.862 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.498 20.981 -6.873 1.00 25.00 C ATOM 803 CZ PHE A 130 68.548 20.126 -6.278 1.00 25.00 C ATOM 0 H PHE A 130 66.617 23.308 -11.941 1.00 25.00 H new ATOM 0 HA PHE A 130 65.470 22.463 -9.502 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.484 21.516 -10.747 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.405 22.905 -10.205 1.00 25.00 H new ATOM 0 HD1 PHE A 130 65.981 20.565 -8.496 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.901 22.335 -8.515 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.542 19.332 -6.404 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.472 21.103 -6.424 1.00 25.00 H new ATOM 0 HZ PHE A 130 68.796 19.585 -5.377 1.00 25.00 H new ATOM 813 N ARG A 131 67.011 25.356 -9.368 1.00 25.00 N ATOM 814 CA ARG A 131 67.152 26.531 -8.496 1.00 25.00 C ATOM 815 C ARG A 131 65.783 27.041 -8.136 1.00 25.00 C ATOM 816 O ARG A 131 65.520 27.366 -6.994 1.00 25.00 O ATOM 817 CB ARG A 131 67.930 27.659 -9.166 1.00 25.00 C ATOM 818 CG ARG A 131 69.328 27.265 -9.498 1.00 25.00 C ATOM 819 CD ARG A 131 70.189 28.453 -9.912 1.00 25.00 C ATOM 820 NE ARG A 131 70.426 29.386 -8.792 1.00 25.00 N ATOM 821 CZ ARG A 131 71.522 30.115 -8.607 1.00 25.00 C ATOM 822 NH1 ARG A 131 72.552 30.059 -9.419 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 71.588 30.912 -7.584 1.00 25.00 N ATOM 0 H ARG A 131 67.352 25.482 -10.321 1.00 25.00 H new ATOM 0 HA ARG A 131 67.706 26.219 -7.610 1.00 25.00 H new ATOM 0 HB2 ARG A 131 67.414 27.961 -10.078 1.00 25.00 H new ATOM 0 HB3 ARG A 131 67.947 28.527 -8.507 1.00 25.00 H new ATOM 0 HG2 ARG A 131 69.779 26.778 -8.634 1.00 25.00 H new ATOM 0 HG3 ARG A 131 69.313 26.533 -10.305 1.00 25.00 H new ATOM 0 HD2 ARG A 131 71.145 28.092 -10.291 1.00 25.00 H new ATOM 0 HD3 ARG A 131 69.702 28.985 -10.729 1.00 25.00 H new ATOM 0 HE ARG A 131 69.683 29.479 -8.099 1.00 25.00 H new ATOM 0 HH11 ARG A 131 72.530 29.439 -10.228 1.00 25.00 H new ATOM 0 HH12 ARG A 131 73.374 30.636 -9.240 1.00 25.00 H new ATOM 0 HH21 ARG A 131 70.804 30.973 -6.934 1.00 25.00 H new ATOM 0 HH22 ARG A 131 72.423 31.477 -7.431 1.00 25.00 H new ATOM 837 N ALA A 132 64.915 27.084 -9.128 1.00 25.00 N ATOM 838 CA ALA A 132 63.535 27.523 -8.909 1.00 25.00 C ATOM 839 C ALA A 132 62.818 26.582 -7.921 1.00 25.00 C ATOM 840 O ALA A 132 62.091 27.025 -7.045 1.00 25.00 O ATOM 841 CB ALA A 132 62.781 27.583 -10.249 1.00 25.00 C ATOM 0 H ALA A 132 65.131 26.824 -10.090 1.00 25.00 H new ATOM 0 HA ALA A 132 63.550 28.522 -8.474 1.00 25.00 H new ATOM 0 HB1 ALA A 132 61.756 27.910 -10.075 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.279 28.287 -10.915 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.773 26.594 -10.707 1.00 25.00 H new ATOM 847 N LEU A 133 63.055 25.286 -8.053 1.00 25.00 N ATOM 848 CA LEU A 133 62.441 24.301 -7.166 1.00 25.00 C ATOM 849 C LEU A 133 62.937 24.441 -5.721 1.00 25.00 C ATOM 850 O LEU A 133 62.151 24.379 -4.784 1.00 25.00 O ATOM 851 CB LEU A 133 62.736 22.887 -7.686 1.00 25.00 C ATOM 852 CG LEU A 133 61.962 21.741 -7.013 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.462 21.824 -7.294 1.00 25.00 C ATOM 854 CD2 LEU A 133 62.504 20.406 -7.520 1.00 25.00 C ATOM 0 H LEU A 133 63.668 24.888 -8.765 1.00 25.00 H new ATOM 0 HA LEU A 133 61.366 24.480 -7.161 1.00 25.00 H new ATOM 0 HB2 LEU A 133 62.522 22.863 -8.755 1.00 25.00 H new ATOM 0 HB3 LEU A 133 63.803 22.695 -7.570 1.00 25.00 H new ATOM 0 HG LEU A 133 62.101 21.825 -5.935 1.00 25.00 H new ATOM 0 HD11 LEU A 133 59.953 20.996 -6.800 1.00 25.00 H new ATOM 0 HD12 LEU A 133 60.072 22.768 -6.914 1.00 25.00 H new ATOM 0 HD13 LEU A 133 60.289 21.767 -8.369 1.00 25.00 H new ATOM 0 HD21 LEU A 133 61.960 19.589 -7.047 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.377 20.349 -8.601 1.00 25.00 H new ATOM 0 HD23 LEU A 133 63.563 20.326 -7.275 1.00 25.00 H new ATOM 866 N CYS A 134 64.234 24.654 -5.533 1.00 25.00 N ATOM 867 CA CYS A 134 64.767 24.809 -4.178 1.00 25.00 C ATOM 868 C CYS A 134 64.380 26.166 -3.588 1.00 25.00 C ATOM 869 O CYS A 134 64.270 26.306 -2.379 1.00 25.00 O ATOM 870 CB CYS A 134 66.289 24.594 -4.144 1.00 25.00 C ATOM 871 SG CYS A 134 67.289 25.950 -4.813 1.00 25.00 S ATOM 0 H CYS A 134 64.925 24.723 -6.280 1.00 25.00 H new ATOM 0 HA CYS A 134 64.318 24.036 -3.554 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.590 24.420 -3.111 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.522 23.686 -4.701 1.00 25.00 H new ATOM 0 HG CYS A 134 66.611 26.579 -5.727 1.00 25.00 H new ATOM 877 N GLU A 135 64.131 27.148 -4.446 1.00 25.00 N ATOM 878 CA GLU A 135 63.654 28.461 -4.008 1.00 25.00 C ATOM 879 C GLU A 135 62.242 28.317 -3.458 1.00 25.00 C ATOM 880 O GLU A 135 61.914 28.874 -2.412 1.00 25.00 O ATOM 881 CB GLU A 135 63.662 29.434 -5.198 1.00 25.00 C ATOM 882 CG GLU A 135 63.031 30.786 -4.931 1.00 25.00 C ATOM 883 CD GLU A 135 63.283 31.768 -6.072 1.00 25.00 C ATOM 884 OE1 GLU A 135 64.473 32.063 -6.351 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 62.313 32.268 -6.667 1.00 25.00 O1- ATOM 0 H GLU A 135 64.251 27.062 -5.455 1.00 25.00 H new ATOM 0 HA GLU A 135 64.307 28.853 -3.229 1.00 25.00 H new ATOM 0 HB2 GLU A 135 64.694 29.589 -5.513 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.140 28.966 -6.033 1.00 25.00 H new ATOM 0 HG2 GLU A 135 61.957 30.663 -4.788 1.00 25.00 H new ATOM 0 HG3 GLU A 135 63.431 31.196 -4.004 1.00 25.00 H new ATOM 892 N LEU A 136 61.425 27.539 -4.155 1.00 25.00 N ATOM 893 CA LEU A 136 60.044 27.298 -3.752 1.00 25.00 C ATOM 894 C LEU A 136 59.997 26.582 -2.404 1.00 25.00 C ATOM 895 O LEU A 136 59.240 26.968 -1.521 1.00 25.00 O ATOM 896 CB LEU A 136 59.345 26.466 -4.844 1.00 25.00 C ATOM 897 CG LEU A 136 57.830 26.204 -4.738 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.299 25.879 -6.139 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.483 25.041 -3.794 1.00 25.00 C ATOM 0 H LEU A 136 61.698 27.058 -5.012 1.00 25.00 H new ATOM 0 HA LEU A 136 59.523 28.249 -3.637 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.526 26.960 -5.799 1.00 25.00 H new ATOM 0 HB3 LEU A 136 59.843 25.497 -4.887 1.00 25.00 H new ATOM 0 HG LEU A 136 57.368 27.101 -4.324 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.227 25.690 -6.087 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.487 26.722 -6.804 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.805 24.994 -6.524 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.402 24.908 -3.763 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.951 24.126 -4.157 1.00 25.00 H new ATOM 0 HD23 LEU A 136 57.850 25.264 -2.792 1.00 25.00 H new ATOM 911 N GLU A 137 60.809 25.546 -2.255 1.00 25.00 N ATOM 912 CA GLU A 137 60.823 24.752 -1.024 1.00 25.00 C ATOM 913 C GLU A 137 61.383 25.543 0.162 1.00 25.00 C ATOM 914 O GLU A 137 60.860 25.483 1.270 1.00 25.00 O ATOM 915 CB GLU A 137 61.664 23.491 -1.246 1.00 25.00 C ATOM 916 CG GLU A 137 61.521 22.428 -0.148 1.00 25.00 C ATOM 917 CD GLU A 137 60.155 21.737 -0.154 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.565 21.574 -1.247 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 59.695 21.321 0.930 1.00 25.00 O1- ATOM 0 H GLU A 137 61.468 25.232 -2.967 1.00 25.00 H new ATOM 0 HA GLU A 137 59.794 24.484 -0.784 1.00 25.00 H new ATOM 0 HB2 GLU A 137 61.385 23.047 -2.202 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.713 23.778 -1.322 1.00 25.00 H new ATOM 0 HG2 GLU A 137 62.301 21.678 -0.274 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.681 22.895 0.824 1.00 25.00 H new ATOM 926 N SER A 138 62.462 26.278 -0.068 1.00 25.00 N ATOM 927 CA SER A 138 63.106 27.034 1.005 1.00 25.00 C ATOM 928 C SER A 138 62.326 28.292 1.369 1.00 25.00 C ATOM 929 O SER A 138 62.452 28.799 2.481 1.00 25.00 O ATOM 930 CB SER A 138 64.524 27.432 0.593 1.00 25.00 C ATOM 931 OG SER A 138 65.203 28.064 1.664 1.00 25.00 O ATOM 0 H SER A 138 62.910 26.369 -0.980 1.00 25.00 H new ATOM 0 HA SER A 138 63.135 26.384 1.879 1.00 25.00 H new ATOM 0 HB2 SER A 138 65.077 26.547 0.278 1.00 25.00 H new ATOM 0 HB3 SER A 138 64.483 28.104 -0.264 1.00 25.00 H new ATOM 0 HG SER A 138 66.108 28.309 1.379 1.00 25.00 H new ATOM 937 N GLY A 139 61.576 28.832 0.416 1.00 25.00 N ATOM 938 CA GLY A 139 60.839 30.068 0.642 1.00 25.00 C ATOM 939 C GLY A 139 61.753 31.279 0.629 1.00 25.00 C ATOM 940 O GLY A 139 61.388 32.360 1.095 1.00 25.00 O ATOM 0 H GLY A 139 61.463 28.435 -0.517 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.075 30.181 -0.127 1.00 25.00 H new ATOM 0 HA3 GLY A 139 60.322 30.013 1.600 1.00 25.00 H new ATOM 944 N ILE A 140 62.967 31.088 0.131 1.00 25.00 N ATOM 945 CA ILE A 140 63.996 32.130 0.137 1.00 25.00 C ATOM 946 C ILE A 140 64.585 32.189 -1.275 1.00 25.00 C ATOM 947 O ILE A 140 64.941 31.147 -1.831 1.00 25.00 O ATOM 948 CB ILE A 140 65.125 31.803 1.173 1.00 25.00 C ATOM 949 CG1 ILE A 140 64.528 31.644 2.589 1.00 25.00 C ATOM 950 CG2 ILE A 140 66.198 32.927 1.190 1.00 25.00 C ATOM 951 CD1 ILE A 140 65.468 31.002 3.608 1.00 25.00 C ATOM 0 H ILE A 140 63.270 30.209 -0.289 1.00 25.00 H new ATOM 0 HA ILE A 140 63.559 33.086 0.425 1.00 25.00 H new ATOM 0 HB ILE A 140 65.595 30.867 0.872 1.00 25.00 H new ATOM 0 HG12 ILE A 140 64.232 32.627 2.956 1.00 25.00 H new ATOM 0 HG13 ILE A 140 63.622 31.042 2.521 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.972 32.680 1.916 1.00 25.00 H new ATOM 0 HG22 ILE A 140 66.645 33.019 0.200 1.00 25.00 H new ATOM 0 HG23 ILE A 140 65.730 33.872 1.466 1.00 25.00 H new ATOM 0 HD11 ILE A 140 64.965 30.931 4.572 1.00 25.00 H new ATOM 0 HD12 ILE A 140 65.745 30.004 3.269 1.00 25.00 H new ATOM 0 HD13 ILE A 140 66.365 31.613 3.711 1.00 25.00 H new ATOM 963 N PRO A 141 64.678 33.394 -1.882 1.00 25.00 N ATOM 964 CA PRO A 141 65.160 33.437 -3.270 1.00 25.00 C ATOM 965 C PRO A 141 66.515 32.782 -3.520 1.00 25.00 C ATOM 966 O PRO A 141 67.506 33.057 -2.836 1.00 25.00 O ATOM 967 CB PRO A 141 65.231 34.936 -3.567 1.00 25.00 C ATOM 968 CG PRO A 141 64.228 35.535 -2.670 1.00 25.00 C ATOM 969 CD PRO A 141 64.329 34.745 -1.402 1.00 25.00 C ATOM 0 HA PRO A 141 64.493 32.864 -3.914 1.00 25.00 H new ATOM 0 HB2 PRO A 141 66.227 35.333 -3.371 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.004 35.145 -4.612 1.00 25.00 H new ATOM 0 HG2 PRO A 141 64.434 36.591 -2.496 1.00 25.00 H new ATOM 0 HG3 PRO A 141 63.227 35.472 -3.097 1.00 25.00 H new ATOM 0 HD2 PRO A 141 65.092 35.147 -0.736 1.00 25.00 H new ATOM 0 HD3 PRO A 141 63.390 34.747 -0.849 1.00 25.00 H new ATOM 977 N ALA A 142 66.559 31.955 -4.553 1.00 25.00 N ATOM 978 CA ALA A 142 67.788 31.338 -5.026 1.00 25.00 C ATOM 979 C ALA A 142 68.667 32.422 -5.644 1.00 25.00 C ATOM 980 O ALA A 142 69.877 32.263 -5.744 1.00 25.00 O ATOM 981 CB ALA A 142 67.480 30.243 -6.048 1.00 25.00 C ATOM 0 H ALA A 142 65.734 31.691 -5.092 1.00 25.00 H new ATOM 0 HA ALA A 142 68.313 30.872 -4.192 1.00 25.00 H new ATOM 0 HB1 ALA A 142 68.412 29.793 -6.391 1.00 25.00 H new ATOM 0 HB2 ALA A 142 66.856 29.478 -5.585 1.00 25.00 H new ATOM 0 HB3 ALA A 142 66.952 30.676 -6.898 1.00 25.00 H new ATOM 987 N ALA A 143 68.048 33.510 -6.081 1.00 25.00 N ATOM 988 CA ALA A 143 68.775 34.634 -6.671 1.00 25.00 C ATOM 989 C ALA A 143 69.781 35.225 -5.667 1.00 25.00 C ATOM 990 O ALA A 143 70.839 35.703 -6.048 1.00 25.00 O ATOM 991 CB ALA A 143 67.778 35.709 -7.121 1.00 25.00 C ATOM 0 H ALA A 143 67.037 33.642 -6.039 1.00 25.00 H new ATOM 0 HA ALA A 143 69.334 34.275 -7.535 1.00 25.00 H new ATOM 0 HB1 ALA A 143 68.320 36.546 -7.561 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.098 35.288 -7.862 1.00 25.00 H new ATOM 0 HB3 ALA A 143 67.206 36.058 -6.261 1.00 25.00 H new ATOM 997 N GLU A 144 69.451 35.136 -4.387 1.00 25.00 N ATOM 998 CA GLU A 144 70.302 35.653 -3.308 1.00 25.00 C ATOM 999 C GLU A 144 71.383 34.642 -2.898 1.00 25.00 C ATOM 1000 O GLU A 144 71.960 34.745 -1.808 1.00 25.00 O ATOM 1001 CB GLU A 144 69.424 35.959 -2.083 1.00 25.00 C ATOM 1002 CG GLU A 144 68.418 37.083 -2.292 1.00 25.00 C ATOM 1003 CD GLU A 144 69.080 38.450 -2.278 1.00 25.00 C ATOM 1004 OE1 GLU A 144 69.297 38.993 -1.173 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 69.399 38.974 -3.366 1.00 25.00 O1- ATOM 0 H GLU A 144 68.587 34.704 -4.060 1.00 25.00 H new ATOM 0 HA GLU A 144 70.797 36.553 -3.672 1.00 25.00 H new ATOM 0 HB2 GLU A 144 68.885 35.054 -1.803 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.070 36.218 -1.244 1.00 25.00 H new ATOM 0 HG2 GLU A 144 67.905 36.938 -3.243 1.00 25.00 H new ATOM 0 HG3 GLU A 144 67.659 37.040 -1.511 1.00 25.00 H new ATOM 1012 N SER A 145 71.615 33.626 -3.720 1.00 25.00 N ATOM 1013 CA SER A 145 72.511 32.535 -3.338 1.00 25.00 C ATOM 1014 C SER A 145 73.447 32.013 -4.414 1.00 25.00 C ATOM 1015 O SER A 145 73.269 32.250 -5.612 1.00 25.00 O ATOM 1016 CB SER A 145 71.670 31.349 -2.865 1.00 25.00 C ATOM 1017 OG SER A 145 71.055 30.702 -3.959 1.00 25.00 O ATOM 0 H SER A 145 71.201 33.532 -4.647 1.00 25.00 H new ATOM 0 HA SER A 145 73.148 32.970 -2.568 1.00 25.00 H new ATOM 0 HB2 SER A 145 72.301 30.642 -2.326 1.00 25.00 H new ATOM 0 HB3 SER A 145 70.908 31.694 -2.166 1.00 25.00 H new ATOM 0 HG SER A 145 70.751 31.372 -4.606 1.00 25.00 H new ATOM 1023 N GLN A 146 74.381 31.190 -3.967 1.00 25.00 N ATOM 1024 CA GLN A 146 75.215 30.393 -4.850 1.00 25.00 C ATOM 1025 C GLN A 146 74.904 28.942 -4.523 1.00 25.00 C ATOM 1026 O GLN A 146 74.558 28.620 -3.391 1.00 25.00 O ATOM 1027 CB GLN A 146 76.699 30.697 -4.635 1.00 25.00 C ATOM 1028 CG GLN A 146 77.614 29.974 -5.616 1.00 25.00 C ATOM 1029 CD GLN A 146 79.032 30.471 -5.561 1.00 25.00 C ATOM 1030 OE1 GLN A 146 79.709 30.354 -4.558 1.00 25.00 O ATOM 1031 NE2 GLN A 146 79.489 31.014 -6.653 1.00 25.00 N ATOM 0 H GLN A 146 74.583 31.056 -2.976 1.00 25.00 H new ATOM 0 HA GLN A 146 75.007 30.618 -5.896 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.859 31.771 -4.725 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.976 30.418 -3.618 1.00 25.00 H new ATOM 0 HG2 GLN A 146 77.599 28.906 -5.400 1.00 25.00 H new ATOM 0 HG3 GLN A 146 77.228 30.101 -6.627 1.00 25.00 H new ATOM 0 HE21 GLN A 146 78.888 31.093 -7.473 1.00 25.00 H new ATOM 0 HE22 GLN A 146 80.448 31.360 -6.688 1.00 25.00 H new ATOM 1040 N ILE A 147 75.015 28.083 -5.522 1.00 25.00 N ATOM 1041 CA ILE A 147 74.715 26.666 -5.382 1.00 25.00 C ATOM 1042 C ILE A 147 76.021 25.898 -5.633 1.00 25.00 C ATOM 1043 O ILE A 147 76.784 26.222 -6.550 1.00 25.00 O ATOM 1044 CB ILE A 147 73.557 26.265 -6.347 1.00 25.00 C ATOM 1045 CG1 ILE A 147 73.170 24.796 -6.112 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.931 26.576 -7.822 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.975 24.311 -6.942 1.00 25.00 C ATOM 0 H ILE A 147 75.317 28.349 -6.459 1.00 25.00 H new ATOM 0 HA ILE A 147 74.357 26.419 -4.382 1.00 25.00 H new ATOM 0 HB ILE A 147 72.674 26.867 -6.132 1.00 25.00 H new ATOM 0 HG12 ILE A 147 74.031 24.167 -6.336 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.942 24.659 -5.055 1.00 25.00 H new ATOM 0 HG21 ILE A 147 73.107 26.287 -8.475 1.00 25.00 H new ATOM 0 HG22 ILE A 147 74.124 27.643 -7.931 1.00 25.00 H new ATOM 0 HG23 ILE A 147 74.825 26.016 -8.097 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.773 23.265 -6.712 1.00 25.00 H new ATOM 0 HD12 ILE A 147 71.098 24.911 -6.702 1.00 25.00 H new ATOM 0 HD13 ILE A 147 72.204 24.412 -8.003 1.00 25.00 H new ATOM 1059 N VAL A 148 76.323 24.975 -4.733 1.00 25.00 N ATOM 1060 CA VAL A 148 77.617 24.297 -4.668 1.00 25.00 C ATOM 1061 C VAL A 148 77.422 22.781 -4.559 1.00 25.00 C ATOM 1062 O VAL A 148 76.614 22.308 -3.766 1.00 25.00 O ATOM 1063 CB VAL A 148 78.403 24.810 -3.408 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.759 24.114 -3.259 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.619 26.335 -3.493 1.00 25.00 C ATOM 0 H VAL A 148 75.668 24.668 -4.014 1.00 25.00 H new ATOM 0 HA VAL A 148 78.178 24.515 -5.577 1.00 25.00 H new ATOM 0 HB VAL A 148 77.798 24.571 -2.533 1.00 25.00 H new ATOM 0 HG11 VAL A 148 80.270 24.498 -2.376 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.607 23.040 -3.152 1.00 25.00 H new ATOM 0 HG13 VAL A 148 80.367 24.308 -4.143 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.165 26.675 -2.613 1.00 25.00 H new ATOM 0 HG22 VAL A 148 79.192 26.572 -4.389 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.653 26.837 -3.537 1.00 25.00 H new ATOM 1075 N TYR A 149 78.187 22.029 -5.333 1.00 25.00 N ATOM 1076 CA TYR A 149 78.159 20.566 -5.297 1.00 25.00 C ATOM 1077 C TYR A 149 79.600 20.100 -5.447 1.00 25.00 C ATOM 1078 O TYR A 149 80.367 20.726 -6.175 1.00 25.00 O ATOM 1079 CB TYR A 149 77.309 20.027 -6.445 1.00 25.00 C ATOM 1080 CG TYR A 149 77.444 18.535 -6.647 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.722 17.624 -5.849 1.00 25.00 C ATOM 1082 CD2 TYR A 149 78.302 18.020 -7.643 1.00 25.00 C ATOM 1083 CE1 TYR A 149 76.845 16.221 -6.053 1.00 25.00 C ATOM 1084 CE2 TYR A 149 78.425 16.618 -7.848 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.691 15.733 -7.055 1.00 25.00 C ATOM 1086 OH TYR A 149 77.807 14.385 -7.284 1.00 25.00 O ATOM 0 H TYR A 149 78.849 22.412 -6.008 1.00 25.00 H new ATOM 0 HA TYR A 149 77.723 20.204 -4.366 1.00 25.00 H new ATOM 0 HB2 TYR A 149 76.263 20.267 -6.255 1.00 25.00 H new ATOM 0 HB3 TYR A 149 77.591 20.537 -7.366 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.068 17.995 -5.074 1.00 25.00 H new ATOM 0 HD2 TYR A 149 78.873 18.700 -8.258 1.00 25.00 H new ATOM 0 HE1 TYR A 149 76.286 15.534 -5.435 1.00 25.00 H new ATOM 0 HE2 TYR A 149 79.084 16.239 -8.615 1.00 25.00 H new ATOM 0 HH TYR A 149 76.927 13.962 -7.198 1.00 25.00 H new ATOM 1096 N ALA A 150 79.977 19.041 -4.733 1.00 25.00 N ATOM 1097 CA ALA A 150 81.360 18.537 -4.731 1.00 25.00 C ATOM 1098 C ALA A 150 82.343 19.687 -4.444 1.00 25.00 C ATOM 1099 O ALA A 150 83.352 19.852 -5.134 1.00 25.00 O ATOM 1100 CB ALA A 150 81.684 17.839 -6.071 1.00 25.00 C ATOM 0 H ALA A 150 79.341 18.507 -4.141 1.00 25.00 H new ATOM 0 HA ALA A 150 81.466 17.796 -3.938 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.710 17.473 -6.052 1.00 25.00 H new ATOM 0 HB2 ALA A 150 81.003 17.001 -6.219 1.00 25.00 H new ATOM 0 HB3 ALA A 150 81.568 18.550 -6.889 1.00 25.00 H new ATOM 1106 N GLU A 151 81.978 20.491 -3.447 1.00 25.00 N ATOM 1107 CA GLU A 151 82.745 21.662 -2.975 1.00 25.00 C ATOM 1108 C GLU A 151 83.010 22.761 -4.020 1.00 25.00 C ATOM 1109 O GLU A 151 83.758 23.700 -3.756 1.00 25.00 O ATOM 1110 CB GLU A 151 84.074 21.219 -2.342 1.00 25.00 C ATOM 1111 CG GLU A 151 83.897 20.241 -1.189 1.00 25.00 C ATOM 1112 CD GLU A 151 85.193 20.005 -0.436 1.00 25.00 C ATOM 1113 OE1 GLU A 151 85.668 20.945 0.239 1.00 25.00 O ATOM 1114 OE2 GLU A 151 85.733 18.881 -0.511 1.00 25.00 O1- ATOM 0 H GLU A 151 81.114 20.348 -2.923 1.00 25.00 H new ATOM 0 HA GLU A 151 82.092 22.125 -2.235 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.697 20.757 -3.108 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.609 22.099 -1.984 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.143 20.625 -0.501 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.524 19.292 -1.573 1.00 25.00 H new ATOM 1121 N ARG A 152 82.374 22.684 -5.183 1.00 25.00 N ATOM 1122 CA ARG A 152 82.576 23.686 -6.235 1.00 25.00 C ATOM 1123 C ARG A 152 81.248 24.251 -6.728 1.00 25.00 C ATOM 1124 O ARG A 152 80.236 23.550 -6.737 1.00 25.00 O ATOM 1125 CB ARG A 152 83.343 23.054 -7.396 1.00 25.00 C ATOM 1126 CG ARG A 152 84.775 22.668 -7.014 1.00 25.00 C ATOM 1127 CD ARG A 152 85.512 22.054 -8.185 1.00 25.00 C ATOM 1128 NE ARG A 152 84.932 20.755 -8.556 1.00 25.00 N ATOM 1129 CZ ARG A 152 85.269 20.044 -9.625 1.00 25.00 C ATOM 1130 NH1 ARG A 152 86.186 20.448 -10.474 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 84.670 18.908 -9.845 1.00 25.00 N ATOM 0 H ARG A 152 81.716 21.943 -5.426 1.00 25.00 H new ATOM 0 HA ARG A 152 83.152 24.512 -5.819 1.00 25.00 H new ATOM 0 HB2 ARG A 152 82.810 22.167 -7.738 1.00 25.00 H new ATOM 0 HB3 ARG A 152 83.370 23.753 -8.232 1.00 25.00 H new ATOM 0 HG2 ARG A 152 85.311 23.551 -6.667 1.00 25.00 H new ATOM 0 HG3 ARG A 152 84.754 21.961 -6.184 1.00 25.00 H new ATOM 0 HD2 ARG A 152 85.471 22.730 -9.039 1.00 25.00 H new ATOM 0 HD3 ARG A 152 86.564 21.926 -7.929 1.00 25.00 H new ATOM 0 HE ARG A 152 84.214 20.369 -7.943 1.00 25.00 H new ATOM 0 HH11 ARG A 152 86.666 21.335 -10.323 1.00 25.00 H new ATOM 0 HH12 ARG A 152 86.419 19.874 -11.285 1.00 25.00 H new ATOM 0 HH21 ARG A 152 83.953 18.576 -9.200 1.00 25.00 H new ATOM 0 HH22 ARG A 152 84.918 18.350 -10.662 1.00 25.00 H new ATOM 1145 N PRO A 153 81.220 25.537 -7.115 1.00 25.00 N ATOM 1146 CA PRO A 153 79.923 26.050 -7.560 1.00 25.00 C ATOM 1147 C PRO A 153 79.499 25.499 -8.914 1.00 25.00 C ATOM 1148 O PRO A 153 80.330 25.192 -9.772 1.00 25.00 O ATOM 1149 CB PRO A 153 80.162 27.558 -7.630 1.00 25.00 C ATOM 1150 CG PRO A 153 81.595 27.680 -7.967 1.00 25.00 C ATOM 1151 CD PRO A 153 82.259 26.582 -7.174 1.00 25.00 C ATOM 0 HA PRO A 153 79.113 25.759 -6.891 1.00 25.00 H new ATOM 0 HB2 PRO A 153 79.533 28.027 -8.387 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.933 28.042 -6.681 1.00 25.00 H new ATOM 0 HG2 PRO A 153 81.764 27.556 -9.037 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.986 28.660 -7.694 1.00 25.00 H new ATOM 0 HD2 PRO A 153 83.165 26.223 -7.663 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.547 26.921 -6.179 1.00 25.00 H new ATOM 1159 N LEU A 154 78.196 25.399 -9.107 1.00 25.00 N ATOM 1160 CA LEU A 154 77.637 24.951 -10.380 1.00 25.00 C ATOM 1161 C LEU A 154 77.423 26.196 -11.237 1.00 0.00 C ATOM 1162 O LEU A 154 77.054 27.245 -10.707 1.00 25.00 O ATOM 1163 CB LEU A 154 76.307 24.229 -10.151 1.00 25.00 C ATOM 1164 CG LEU A 154 76.336 22.970 -9.261 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.925 22.555 -8.874 1.00 25.00 C ATOM 1166 CD2 LEU A 154 77.001 21.818 -9.981 1.00 25.00 C ATOM 0 H LEU A 154 77.498 25.622 -8.397 1.00 25.00 H new ATOM 0 HA LEU A 154 78.311 24.251 -10.874 1.00 25.00 H new ATOM 0 HB2 LEU A 154 75.608 24.939 -9.710 1.00 25.00 H new ATOM 0 HB3 LEU A 154 75.903 23.947 -11.123 1.00 25.00 H new ATOM 0 HG LEU A 154 76.905 23.215 -8.364 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.967 21.665 -8.246 1.00 25.00 H new ATOM 0 HD12 LEU A 154 74.446 23.365 -8.324 1.00 25.00 H new ATOM 0 HD13 LEU A 154 74.350 22.337 -9.774 1.00 25.00 H new ATOM 0 HD21 LEU A 154 77.010 20.941 -9.334 1.00 25.00 H new ATOM 0 HD22 LEU A 154 76.448 21.591 -10.892 1.00 25.00 H new ATOM 0 HD23 LEU A 154 78.025 22.091 -10.236 1.00 25.00 H new ATOM 1178 N THR A 155 77.698 26.105 -12.533 1.00 25.00 N ATOM 1179 CA THR A 155 77.663 27.291 -13.406 1.00 25.00 C ATOM 1180 C THR A 155 76.785 27.174 -14.658 1.00 25.00 C ATOM 1181 O THR A 155 76.048 28.099 -14.981 1.00 25.00 O ATOM 1182 CB THR A 155 79.096 27.631 -13.878 1.00 25.00 C ATOM 1183 OG1 THR A 155 79.672 26.482 -14.510 1.00 25.00 O ATOM 1184 CG2 THR A 155 79.990 28.007 -12.698 1.00 25.00 C ATOM 0 H THR A 155 77.946 25.236 -13.006 1.00 25.00 H new ATOM 0 HA THR A 155 77.219 28.069 -12.784 1.00 25.00 H new ATOM 0 HB THR A 155 79.030 28.472 -14.568 1.00 25.00 H new ATOM 0 HG1 THR A 155 80.580 26.695 -14.812 1.00 25.00 H new ATOM 0 HG21 THR A 155 80.991 28.241 -13.060 1.00 25.00 H new ATOM 0 HG22 THR A 155 79.575 28.878 -12.190 1.00 25.00 H new ATOM 0 HG23 THR A 155 80.043 27.171 -12.000 1.00 25.00 H new ATOM 1192 N ASP A 156 76.846 26.048 -15.354 1.00 25.00 N ATOM 1193 CA ASP A 156 76.046 25.845 -16.568 1.00 25.00 C ATOM 1194 C ASP A 156 74.628 25.450 -16.160 1.00 25.00 C ATOM 1195 O ASP A 156 74.363 24.298 -15.807 1.00 25.00 O ATOM 1196 CB ASP A 156 76.689 24.765 -17.445 1.00 25.00 C ATOM 1197 CG ASP A 156 75.972 24.571 -18.773 1.00 25.00 C ATOM 1198 OD1 ASP A 156 74.787 24.963 -18.913 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 76.588 23.934 -19.659 1.00 25.00 O1- ATOM 0 H ASP A 156 77.439 25.257 -15.104 1.00 25.00 H new ATOM 0 HA ASP A 156 76.006 26.766 -17.150 1.00 25.00 H new ATOM 0 HB2 ASP A 156 77.729 25.031 -17.636 1.00 25.00 H new ATOM 0 HB3 ASP A 156 76.696 23.820 -16.901 1.00 25.00 H new ATOM 1204 N ASN A 157 73.737 26.428 -16.156 1.00 25.00 N ATOM 1205 CA ASN A 157 72.369 26.235 -15.684 1.00 25.00 C ATOM 1206 C ASN A 157 71.464 25.496 -16.667 1.00 25.00 C ATOM 1207 O ASN A 157 70.356 25.111 -16.303 1.00 25.00 O ATOM 1208 CB ASN A 157 71.726 27.592 -15.370 1.00 25.00 C ATOM 1209 CG ASN A 157 71.440 28.399 -16.618 1.00 25.00 C ATOM 1210 OD1 ASN A 157 72.330 28.681 -17.397 1.00 25.00 O ATOM 1211 ND2 ASN A 157 70.203 28.765 -16.811 1.00 25.00 N ATOM 0 H ASN A 157 73.937 27.375 -16.478 1.00 25.00 H new ATOM 0 HA ASN A 157 72.456 25.613 -14.793 1.00 25.00 H new ATOM 0 HB2 ASN A 157 70.797 27.433 -14.823 1.00 25.00 H new ATOM 0 HB3 ASN A 157 72.387 28.161 -14.716 1.00 25.00 H new ATOM 0 HD21 ASN A 157 69.955 29.307 -17.639 1.00 25.00 H new ATOM 0 HD22 ASN A 157 69.484 28.509 -16.134 1.00 25.00 H new ATOM 1218 N HIS A 158 71.905 25.326 -17.906 1.00 25.00 N ATOM 1219 CA HIS A 158 71.071 24.670 -18.917 1.00 25.00 C ATOM 1220 C HIS A 158 71.254 23.157 -18.865 1.00 25.00 C ATOM 1221 O HIS A 158 70.434 22.399 -19.367 1.00 25.00 O ATOM 1222 CB HIS A 158 71.410 25.205 -20.316 1.00 25.00 C ATOM 1223 CG HIS A 158 70.489 24.707 -21.390 1.00 25.00 C ATOM 1224 ND1 HIS A 158 69.137 24.415 -21.180 1.00 25.00 N ATOM 1225 CD2 HIS A 158 70.699 24.421 -22.703 1.00 25.00 C ATOM 1226 CE1 HIS A 158 68.611 23.973 -22.311 1.00 25.00 C ATOM 1227 NE2 HIS A 158 69.529 23.975 -23.241 1.00 25.00 N ATOM 0 H HIS A 158 72.822 25.627 -18.237 1.00 25.00 H new ATOM 0 HA HIS A 158 70.026 24.895 -18.702 1.00 25.00 H new ATOM 0 HB2 HIS A 158 71.377 26.294 -20.297 1.00 25.00 H new ATOM 0 HB3 HIS A 158 72.432 24.922 -20.566 1.00 25.00 H new ATOM 0 HD1 HIS A 158 68.637 24.525 -20.298 1.00 25.00 H new ATOM 0 HD2 HIS A 158 71.635 24.529 -23.230 1.00 25.00 H new ATOM 0 HE1 HIS A 158 67.586 23.660 -22.444 1.00 25.00 H new ATOM 1235 N ARG A 159 72.334 22.710 -18.242 1.00 25.00 N ATOM 1236 CA ARG A 159 72.564 21.275 -18.090 1.00 25.00 C ATOM 1237 C ARG A 159 71.512 20.667 -17.196 1.00 25.00 C ATOM 1238 O ARG A 159 71.040 21.304 -16.253 1.00 25.00 O ATOM 1239 CB ARG A 159 73.920 21.016 -17.455 1.00 25.00 C ATOM 1240 CG ARG A 159 75.059 21.169 -18.396 1.00 25.00 C ATOM 1241 CD ARG A 159 76.352 20.816 -17.705 1.00 25.00 C ATOM 1242 NE ARG A 159 77.506 21.208 -18.521 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.719 20.681 -18.429 1.00 25.00 C ATOM 1244 NH1 ARG A 159 79.006 19.719 -17.583 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.660 21.132 -19.209 1.00 25.00 N ATOM 0 H ARG A 159 73.056 23.306 -17.838 1.00 25.00 H new ATOM 0 HA ARG A 159 72.523 20.827 -19.083 1.00 25.00 H new ATOM 0 HB2 ARG A 159 74.057 21.702 -16.619 1.00 25.00 H new ATOM 0 HB3 ARG A 159 73.932 20.006 -17.045 1.00 25.00 H new ATOM 0 HG2 ARG A 159 74.913 20.525 -19.263 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.102 22.194 -18.764 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.400 21.315 -16.737 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.385 19.744 -17.513 1.00 25.00 H new ATOM 0 HE ARG A 159 77.364 21.944 -19.213 1.00 25.00 H new ATOM 0 HH11 ARG A 159 78.283 19.350 -16.966 1.00 25.00 H new ATOM 0 HH12 ARG A 159 79.952 19.340 -17.543 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.457 21.877 -19.875 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.600 20.740 -19.154 1.00 25.00 H new ATOM 1259 N SER A 160 71.221 19.401 -17.440 1.00 25.00 N ATOM 1260 CA SER A 160 70.365 18.643 -16.550 1.00 25.00 C ATOM 1261 C SER A 160 71.198 18.245 -15.344 1.00 25.00 C ATOM 1262 O SER A 160 72.428 18.264 -15.394 1.00 25.00 O ATOM 1263 CB SER A 160 69.818 17.401 -17.244 1.00 25.00 C ATOM 1264 OG SER A 160 70.863 16.508 -17.596 1.00 25.00 O ATOM 0 H SER A 160 71.565 18.879 -18.246 1.00 25.00 H new ATOM 0 HA SER A 160 69.511 19.249 -16.248 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.110 16.896 -16.587 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.269 17.693 -18.139 1.00 25.00 H new ATOM 0 HG SER A 160 70.484 15.720 -18.038 1.00 25.00 H new ATOM 1270 N LEU A 161 70.546 17.863 -14.265 1.00 25.00 N ATOM 1271 CA LEU A 161 71.255 17.461 -13.051 1.00 25.00 C ATOM 1272 C LEU A 161 72.025 16.152 -13.300 1.00 25.00 C ATOM 1273 O LEU A 161 73.160 15.972 -12.825 1.00 25.00 O ATOM 1274 CB LEU A 161 70.247 17.331 -11.906 1.00 25.00 C ATOM 1275 CG LEU A 161 69.497 18.648 -11.602 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.334 18.376 -10.687 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.411 19.708 -10.977 1.00 25.00 C ATOM 0 H LEU A 161 69.529 17.820 -14.196 1.00 25.00 H new ATOM 0 HA LEU A 161 71.990 18.216 -12.772 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.522 16.557 -12.155 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.768 17.002 -11.007 1.00 25.00 H new ATOM 0 HG LEU A 161 69.139 19.044 -12.552 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.810 19.309 -10.477 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.650 17.676 -11.166 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.698 17.946 -9.754 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.837 20.614 -10.782 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.820 19.329 -10.040 1.00 25.00 H new ATOM 0 HD23 LEU A 161 71.227 19.935 -11.663 1.00 25.00 H new ATOM 1289 N ALA A 162 71.468 15.292 -14.144 1.00 25.00 N ATOM 1290 CA ALA A 162 72.160 14.068 -14.555 1.00 25.00 C ATOM 1291 C ALA A 162 73.467 14.390 -15.297 1.00 25.00 C ATOM 1292 O ALA A 162 74.420 13.624 -15.234 1.00 25.00 O ATOM 1293 CB ALA A 162 71.250 13.214 -15.434 1.00 25.00 C ATOM 0 H ALA A 162 70.544 15.415 -14.558 1.00 25.00 H new ATOM 0 HA ALA A 162 72.412 13.507 -13.655 1.00 25.00 H new ATOM 0 HB1 ALA A 162 71.778 12.308 -15.732 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.353 12.945 -14.876 1.00 25.00 H new ATOM 0 HB3 ALA A 162 70.968 13.779 -16.323 1.00 25.00 H new ATOM 1299 N SER A 163 73.520 15.531 -15.975 1.00 25.00 N ATOM 1300 CA SER A 163 74.732 15.943 -16.697 1.00 25.00 C ATOM 1301 C SER A 163 75.867 16.323 -15.743 1.00 25.00 C ATOM 1302 O SER A 163 77.023 16.385 -16.155 1.00 25.00 O ATOM 1303 CB SER A 163 74.447 17.128 -17.617 1.00 25.00 C ATOM 1304 OG SER A 163 73.422 16.830 -18.548 1.00 25.00 O ATOM 0 H SER A 163 72.744 16.189 -16.044 1.00 25.00 H new ATOM 0 HA SER A 163 75.044 15.083 -17.289 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.157 17.992 -17.019 1.00 25.00 H new ATOM 0 HB3 SER A 163 75.357 17.402 -18.152 1.00 25.00 H new ATOM 0 HG SER A 163 72.568 16.741 -18.076 1.00 25.00 H new ATOM 1310 N TYR A 164 75.549 16.564 -14.475 1.00 25.00 N ATOM 1311 CA TYR A 164 76.577 16.824 -13.468 1.00 25.00 C ATOM 1312 C TYR A 164 76.845 15.552 -12.680 1.00 25.00 C ATOM 1313 O TYR A 164 77.755 15.497 -11.863 1.00 25.00 O ATOM 1314 CB TYR A 164 76.124 17.910 -12.504 1.00 25.00 C ATOM 1315 CG TYR A 164 76.230 19.295 -13.067 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.460 19.984 -13.038 1.00 25.00 C ATOM 1317 CD2 TYR A 164 75.109 19.941 -13.620 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.563 21.302 -13.533 1.00 25.00 C ATOM 1319 CE2 TYR A 164 75.211 21.259 -14.115 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.437 21.930 -14.056 1.00 25.00 C ATOM 1321 OH TYR A 164 76.541 23.212 -14.509 1.00 25.00 O ATOM 0 H TYR A 164 74.593 16.585 -14.120 1.00 25.00 H new ATOM 0 HA TYR A 164 77.483 17.154 -13.977 1.00 25.00 H new ATOM 0 HB2 TYR A 164 75.089 17.721 -12.218 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.722 17.850 -11.595 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.334 19.497 -12.632 1.00 25.00 H new ATOM 0 HD2 TYR A 164 74.162 19.424 -13.666 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.510 21.820 -13.506 1.00 25.00 H new ATOM 0 HE2 TYR A 164 74.346 21.748 -14.538 1.00 25.00 H new ATOM 0 HH TYR A 164 75.699 23.478 -14.934 1.00 25.00 H new ATOM 1331 N GLY A 165 76.036 14.532 -12.929 1.00 25.00 N ATOM 1332 CA GLY A 165 76.163 13.280 -12.209 1.00 25.00 C ATOM 1333 C GLY A 165 75.458 13.343 -10.873 1.00 25.00 C ATOM 1334 O GLY A 165 75.803 12.592 -9.963 1.00 25.00 O ATOM 0 H GLY A 165 75.288 14.550 -13.622 1.00 25.00 H new ATOM 0 HA2 GLY A 165 75.744 12.470 -12.806 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.218 13.051 -12.056 1.00 25.00 H new ATOM 1338 N LEU A 166 74.470 14.227 -10.750 1.00 25.00 N ATOM 1339 CA LEU A 166 73.742 14.369 -9.486 1.00 25.00 C ATOM 1340 C LEU A 166 72.818 13.170 -9.305 1.00 25.00 C ATOM 1341 O LEU A 166 71.652 13.203 -9.685 1.00 25.00 O ATOM 1342 CB LEU A 166 72.918 15.663 -9.453 1.00 25.00 C ATOM 1343 CG LEU A 166 73.610 17.043 -9.488 1.00 25.00 C ATOM 1344 CD1 LEU A 166 72.904 17.962 -8.500 1.00 25.00 C ATOM 1345 CD2 LEU A 166 75.090 17.020 -9.154 1.00 25.00 C ATOM 0 H LEU A 166 74.157 14.848 -11.496 1.00 25.00 H new ATOM 0 HA LEU A 166 74.468 14.414 -8.674 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.232 15.627 -10.299 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.310 15.633 -8.549 1.00 25.00 H new ATOM 0 HG LEU A 166 73.537 17.395 -10.517 1.00 25.00 H new ATOM 0 HD11 LEU A 166 73.380 18.943 -8.511 1.00 25.00 H new ATOM 0 HD12 LEU A 166 71.856 18.064 -8.783 1.00 25.00 H new ATOM 0 HD13 LEU A 166 72.970 17.538 -7.498 1.00 25.00 H new ATOM 0 HD21 LEU A 166 75.490 18.033 -9.204 1.00 25.00 H new ATOM 0 HD22 LEU A 166 75.230 16.624 -8.148 1.00 25.00 H new ATOM 0 HD23 LEU A 166 75.615 16.387 -9.870 1.00 25.00 H new ATOM 1357 N LYS A 167 73.377 12.088 -8.795 1.00 25.00 N ATOM 1358 CA LYS A 167 72.639 10.839 -8.598 1.00 25.00 C ATOM 1359 C LYS A 167 71.800 10.867 -7.331 1.00 25.00 C ATOM 1360 O LYS A 167 71.998 11.694 -6.454 1.00 25.00 O ATOM 1361 CB LYS A 167 73.610 9.666 -8.525 1.00 25.00 C ATOM 1362 CG LYS A 167 74.295 9.390 -9.844 1.00 25.00 C ATOM 1363 CD LYS A 167 75.176 8.170 -9.743 1.00 25.00 C ATOM 1364 CE LYS A 167 75.887 7.927 -11.059 1.00 25.00 C ATOM 1365 NZ LYS A 167 76.738 6.697 -10.976 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.354 12.043 -8.504 1.00 25.00 H new ATOM 0 HA LYS A 167 71.968 10.723 -9.449 1.00 25.00 H new ATOM 0 HB2 LYS A 167 74.364 9.871 -7.765 1.00 25.00 H new ATOM 0 HB3 LYS A 167 73.071 8.773 -8.207 1.00 25.00 H new ATOM 0 HG2 LYS A 167 73.548 9.241 -10.623 1.00 25.00 H new ATOM 0 HG3 LYS A 167 74.893 10.253 -10.136 1.00 25.00 H new ATOM 0 HD2 LYS A 167 75.907 8.305 -8.946 1.00 25.00 H new ATOM 0 HD3 LYS A 167 74.575 7.299 -9.480 1.00 25.00 H new ATOM 0 HE2 LYS A 167 75.155 7.817 -11.859 1.00 25.00 H new ATOM 0 HE3 LYS A 167 76.506 8.789 -11.309 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 77.218 6.545 -11.886 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 77.448 6.816 -10.226 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 76.139 5.875 -10.759 1.00 25.00 H new ATOM 1379 N ASP A 168 70.878 9.922 -7.244 1.00 25.00 N ATOM 1380 CA ASP A 168 69.998 9.803 -6.086 1.00 25.00 C ATOM 1381 C ASP A 168 70.823 9.703 -4.804 1.00 25.00 C ATOM 1382 O ASP A 168 71.768 8.912 -4.720 1.00 25.00 O ATOM 1383 CB ASP A 168 69.105 8.569 -6.240 1.00 25.00 C ATOM 1384 CG ASP A 168 67.877 8.620 -5.348 1.00 25.00 C ATOM 1385 OD1 ASP A 168 68.010 8.685 -4.116 1.00 25.00 O ATOM 1386 OD2 ASP A 168 66.758 8.617 -5.908 1.00 25.00 O1- ATOM 0 H ASP A 168 70.717 9.220 -7.966 1.00 25.00 H new ATOM 0 HA ASP A 168 69.369 10.691 -6.024 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.790 8.481 -7.280 1.00 25.00 H new ATOM 0 HB3 ASP A 168 69.683 7.675 -6.005 1.00 25.00 H new ATOM 1391 N GLY A 169 70.491 10.547 -3.837 1.00 25.00 N ATOM 1392 CA GLY A 169 71.201 10.583 -2.569 1.00 25.00 C ATOM 1393 C GLY A 169 72.265 11.662 -2.473 1.00 25.00 C ATOM 1394 O GLY A 169 72.761 11.929 -1.377 1.00 25.00 O ATOM 0 H GLY A 169 69.728 11.220 -3.909 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.478 10.731 -1.767 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.669 9.613 -2.402 1.00 25.00 H new ATOM 1398 N ASP A 170 72.621 12.297 -3.585 1.00 25.00 N ATOM 1399 CA ASP A 170 73.633 13.360 -3.550 1.00 25.00 C ATOM 1400 C ASP A 170 73.142 14.570 -2.755 1.00 25.00 C ATOM 1401 O ASP A 170 71.940 14.863 -2.697 1.00 25.00 O ATOM 1402 CB ASP A 170 74.010 13.823 -4.963 1.00 25.00 C ATOM 1403 CG ASP A 170 75.185 13.045 -5.547 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.012 12.520 -4.773 1.00 25.00 O ATOM 1405 OD2 ASP A 170 75.358 13.078 -6.784 1.00 25.00 O1- ATOM 0 H ASP A 170 72.235 12.103 -4.509 1.00 25.00 H new ATOM 0 HA ASP A 170 74.511 12.936 -3.062 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.146 13.714 -5.619 1.00 25.00 H new ATOM 0 HB3 ASP A 170 74.259 14.884 -4.938 1.00 25.00 H new ATOM 1410 N VAL A 171 74.090 15.278 -2.152 1.00 25.00 N ATOM 1411 CA VAL A 171 73.793 16.454 -1.333 1.00 25.00 C ATOM 1412 C VAL A 171 74.314 17.709 -2.033 1.00 25.00 C ATOM 1413 O VAL A 171 75.472 17.761 -2.463 1.00 25.00 O ATOM 1414 CB VAL A 171 74.449 16.342 0.080 1.00 25.00 C ATOM 1415 CG1 VAL A 171 74.050 17.541 0.967 1.00 25.00 C ATOM 1416 CG2 VAL A 171 74.032 15.025 0.769 1.00 25.00 C ATOM 0 H VAL A 171 75.084 15.057 -2.215 1.00 25.00 H new ATOM 0 HA VAL A 171 72.712 16.515 -1.206 1.00 25.00 H new ATOM 0 HB VAL A 171 75.531 16.347 -0.052 1.00 25.00 H new ATOM 0 HG11 VAL A 171 74.519 17.441 1.946 1.00 25.00 H new ATOM 0 HG12 VAL A 171 74.383 18.467 0.498 1.00 25.00 H new ATOM 0 HG13 VAL A 171 72.967 17.562 1.084 1.00 25.00 H new ATOM 0 HG21 VAL A 171 74.499 14.965 1.752 1.00 25.00 H new ATOM 0 HG22 VAL A 171 72.948 15.000 0.880 1.00 25.00 H new ATOM 0 HG23 VAL A 171 74.354 14.179 0.162 1.00 25.00 H new ATOM 1426 N VAL A 172 73.460 18.716 -2.148 1.00 25.00 N ATOM 1427 CA VAL A 172 73.808 19.974 -2.797 1.00 25.00 C ATOM 1428 C VAL A 172 73.715 21.069 -1.738 1.00 25.00 C ATOM 1429 O VAL A 172 72.813 21.052 -0.910 1.00 25.00 O ATOM 1430 CB VAL A 172 72.831 20.270 -3.970 1.00 25.00 C ATOM 1431 CG1 VAL A 172 73.339 21.441 -4.808 1.00 25.00 C ATOM 1432 CG2 VAL A 172 72.668 19.024 -4.865 1.00 25.00 C ATOM 0 H VAL A 172 72.504 18.685 -1.793 1.00 25.00 H new ATOM 0 HA VAL A 172 74.814 19.925 -3.214 1.00 25.00 H new ATOM 0 HB VAL A 172 71.862 20.532 -3.546 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.643 21.634 -5.624 1.00 25.00 H new ATOM 0 HG12 VAL A 172 73.418 22.329 -4.181 1.00 25.00 H new ATOM 0 HG13 VAL A 172 74.319 21.197 -5.218 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.981 19.249 -5.681 1.00 25.00 H new ATOM 0 HG22 VAL A 172 73.638 18.741 -5.275 1.00 25.00 H new ATOM 0 HG23 VAL A 172 72.270 18.200 -4.273 1.00 25.00 H new ATOM 1442 N ILE A 173 74.653 22.002 -1.736 1.00 25.00 N ATOM 1443 CA ILE A 173 74.681 23.062 -0.730 1.00 25.00 C ATOM 1444 C ILE A 173 74.282 24.379 -1.391 1.00 25.00 C ATOM 1445 O ILE A 173 74.792 24.733 -2.446 1.00 25.00 O ATOM 1446 CB ILE A 173 76.095 23.192 -0.081 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.532 21.831 0.510 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.085 24.281 1.037 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.993 21.785 0.997 1.00 25.00 C ATOM 0 H ILE A 173 75.409 22.051 -2.420 1.00 25.00 H new ATOM 0 HA ILE A 173 73.977 22.813 0.064 1.00 25.00 H new ATOM 0 HB ILE A 173 76.805 23.492 -0.851 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.876 21.584 1.345 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.390 21.059 -0.246 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.079 24.358 1.479 1.00 25.00 H new ATOM 0 HG22 ILE A 173 75.804 25.242 0.606 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.366 24.004 1.808 1.00 25.00 H new ATOM 0 HD11 ILE A 173 78.213 20.794 1.395 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.662 21.997 0.163 1.00 25.00 H new ATOM 0 HD13 ILE A 173 78.140 22.531 1.778 1.00 25.00 H new ATOM 1461 N LEU A 174 73.378 25.103 -0.757 1.00 25.00 N ATOM 1462 CA LEU A 174 72.909 26.395 -1.240 1.00 25.00 C ATOM 1463 C LEU A 174 73.318 27.421 -0.186 1.00 25.00 C ATOM 1464 O LEU A 174 73.076 27.221 0.995 1.00 25.00 O ATOM 1465 CB LEU A 174 71.384 26.350 -1.390 1.00 25.00 C ATOM 1466 CG LEU A 174 70.719 27.531 -2.108 1.00 25.00 C ATOM 1467 CD1 LEU A 174 70.978 27.446 -3.607 1.00 25.00 C ATOM 1468 CD2 LEU A 174 69.219 27.516 -1.840 1.00 25.00 C ATOM 0 H LEU A 174 72.942 24.810 0.117 1.00 25.00 H new ATOM 0 HA LEU A 174 73.334 26.651 -2.210 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.123 25.438 -1.926 1.00 25.00 H new ATOM 0 HB3 LEU A 174 70.948 26.270 -0.394 1.00 25.00 H new ATOM 0 HG LEU A 174 71.143 28.461 -1.730 1.00 25.00 H new ATOM 0 HD11 LEU A 174 70.501 28.289 -4.107 1.00 25.00 H new ATOM 0 HD12 LEU A 174 72.052 27.474 -3.793 1.00 25.00 H new ATOM 0 HD13 LEU A 174 70.566 26.514 -3.995 1.00 25.00 H new ATOM 0 HD21 LEU A 174 68.750 28.356 -2.351 1.00 25.00 H new ATOM 0 HD22 LEU A 174 68.793 26.583 -2.209 1.00 25.00 H new ATOM 0 HD23 LEU A 174 69.040 27.598 -0.768 1.00 25.00 H new ATOM 1480 N ARG A 175 73.990 28.487 -0.589 1.00 25.00 N ATOM 1481 CA ARG A 175 74.470 29.497 0.365 1.00 25.00 C ATOM 1482 C ARG A 175 73.936 30.869 0.022 1.00 25.00 C ATOM 1483 O ARG A 175 74.366 31.484 -0.950 1.00 25.00 O ATOM 1484 CB ARG A 175 75.998 29.540 0.374 1.00 25.00 C ATOM 1485 CG ARG A 175 76.640 28.296 0.961 1.00 25.00 C ATOM 1486 CD ARG A 175 78.149 28.454 1.035 1.00 25.00 C ATOM 1487 NE ARG A 175 78.781 27.311 1.714 1.00 25.00 N ATOM 1488 CZ ARG A 175 80.086 27.166 1.916 1.00 25.00 C ATOM 1489 NH1 ARG A 175 80.964 28.051 1.503 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 80.518 26.110 2.545 1.00 25.00 N ATOM 0 H ARG A 175 74.219 28.683 -1.563 1.00 25.00 H new ATOM 0 HA ARG A 175 74.107 29.215 1.353 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.355 29.675 -0.647 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.325 30.410 0.944 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.240 28.110 1.958 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.390 27.429 0.350 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.555 28.550 0.028 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.393 29.374 1.566 1.00 25.00 H new ATOM 0 HE ARG A 175 78.168 26.571 2.057 1.00 25.00 H new ATOM 0 HH11 ARG A 175 80.652 28.886 1.008 1.00 25.00 H new ATOM 0 HH12 ARG A 175 81.958 27.903 1.678 1.00 25.00 H new ATOM 0 HH21 ARG A 175 79.857 25.407 2.876 1.00 25.00 H new ATOM 0 HH22 ARG A 175 81.517 25.986 2.707 1.00 25.00 H new ATOM 1504 N GLN A 176 72.999 31.347 0.837 1.00 25.00 N ATOM 1505 CA GLN A 176 72.396 32.675 0.667 1.00 25.00 C ATOM 1506 C GLN A 176 73.278 33.773 1.260 1.00 25.00 C ATOM 1507 O GLN A 176 73.753 33.727 2.383 1.00 25.00 O ATOM 1508 CB GLN A 176 70.978 32.737 1.284 1.00 25.00 C ATOM 1509 CG GLN A 176 69.866 32.562 0.227 1.00 25.00 C ATOM 1510 CD GLN A 176 69.584 31.109 -0.102 1.00 25.00 C ATOM 1511 OE1 GLN A 176 70.269 30.184 0.263 1.00 25.00 O ATOM 1512 NE2 GLN A 176 68.520 30.890 -0.856 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.453 34.710 0.531 1.00 25.00 O ATOM 0 H GLN A 176 72.633 30.828 1.635 1.00 25.00 H new ATOM 0 HA GLN A 176 72.311 32.848 -0.406 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.880 31.959 2.042 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.847 33.693 1.790 1.00 25.00 H new ATOM 0 HG2 GLN A 176 68.951 33.031 0.589 1.00 25.00 H new ATOM 0 HG3 GLN A 176 70.153 33.086 -0.685 1.00 25.00 H new ATOM 0 HE21 GLN A 176 67.943 31.673 -1.163 1.00 25.00 H new ATOM 0 HE22 GLN A 176 68.277 29.938 -1.130 1.00 25.00 H new TER 1523 GLN A 176