USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 779 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 54 TYR OH : rot 100:sc= -1.48 USER MOD Set 1.2: A 95 GLN : amide:sc= 0.987 X(o=-0.49,f=-0.91) 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot -55:sc= 0.329 USER MOD Single : A 6 SER OG : rot 180:sc= -0.149 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= -0.0269 (180deg=-0.264) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-5.83e-05 X(o=-5.8e-05,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.109 K(o=0.11,f=-1.4) USER MOD Single : A 24 HIS : no HD1:sc= -4.17! C(o=-4.2!,f=-7!) USER MOD Single : A 26 ASN : amide:sc= -0.644! C(o=-0.64!,f=-6.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.726 K(o=-0.73,f=-1.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.818 K(o=-0.82,f=-2.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 48 SER OG : rot 180:sc= -0.241 USER MOD Single : A 49 LYS NZ :NH3+ -134:sc= -1.64 (180deg=-4.23!) USER MOD Single : A 51 MET CE :methyl -135:sc= -0.116 (180deg=-1.38) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 61:sc= 0.217 USER MOD Single : A 58 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.37) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -168:sc=-0.00545 (180deg=-0.0189) USER MOD Single : A 64 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.27) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 171:sc= -4.8! (180deg=-5.53!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.555 5.582 22.619 1.00 0.00 N ATOM 2 CA GLY A 1 -7.595 4.326 21.894 1.00 0.00 C ATOM 3 C GLY A 1 -8.973 3.695 21.902 1.00 0.00 C ATOM 4 O GLY A 1 -9.481 3.311 22.956 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.592 5.973 22.584 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.218 6.255 22.184 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.827 5.420 23.610 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.282 4.495 20.864 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.879 3.633 22.335 1.00 0.00 H new ATOM 8 N SER A 2 -9.581 3.588 20.725 1.00 0.00 N ATOM 9 CA SER A 2 -10.912 3.005 20.601 1.00 0.00 C ATOM 10 C SER A 2 -10.929 1.914 19.535 1.00 0.00 C ATOM 11 O SER A 2 -10.109 1.914 18.617 1.00 0.00 O ATOM 12 CB SER A 2 -11.937 4.087 20.257 1.00 0.00 C ATOM 13 OG SER A 2 -12.109 4.988 21.337 1.00 0.00 O ATOM 0 H SER A 2 -9.173 3.898 19.843 1.00 0.00 H new ATOM 0 HA SER A 2 -11.176 2.557 21.559 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.611 4.633 19.372 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.892 3.623 20.011 1.00 0.00 H new ATOM 0 HG SER A 2 -12.768 5.671 21.092 1.00 0.00 H new ATOM 19 N SER A 3 -11.871 0.985 19.663 1.00 0.00 N ATOM 20 CA SER A 3 -11.995 -0.115 18.713 1.00 0.00 C ATOM 21 C SER A 3 -13.203 0.086 17.804 1.00 0.00 C ATOM 22 O SER A 3 -14.339 -0.186 18.193 1.00 0.00 O ATOM 23 CB SER A 3 -12.116 -1.447 19.456 1.00 0.00 C ATOM 24 OG SER A 3 -12.046 -2.540 18.557 1.00 0.00 O ATOM 0 H SER A 3 -12.560 0.972 20.415 1.00 0.00 H new ATOM 0 HA SER A 3 -11.097 -0.132 18.095 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.319 -1.528 20.195 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.060 -1.479 20.000 1.00 0.00 H new ATOM 0 HG SER A 3 -12.124 -3.380 19.056 1.00 0.00 H new ATOM 30 N GLY A 4 -12.950 0.564 16.590 1.00 0.00 N ATOM 31 CA GLY A 4 -14.026 0.794 15.643 1.00 0.00 C ATOM 32 C GLY A 4 -14.203 2.262 15.312 1.00 0.00 C ATOM 33 O GLY A 4 -13.678 3.131 16.009 1.00 0.00 O ATOM 0 H GLY A 4 -12.019 0.796 16.245 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.824 0.240 14.726 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.957 0.402 16.053 1.00 0.00 H new ATOM 37 N SER A 5 -14.945 2.541 14.245 1.00 0.00 N ATOM 38 CA SER A 5 -15.185 3.915 13.819 1.00 0.00 C ATOM 39 C SER A 5 -13.870 4.634 13.536 1.00 0.00 C ATOM 40 O SER A 5 -13.679 5.783 13.936 1.00 0.00 O ATOM 41 CB SER A 5 -15.974 4.672 14.889 1.00 0.00 C ATOM 42 OG SER A 5 -16.418 5.927 14.403 1.00 0.00 O ATOM 0 H SER A 5 -15.390 1.834 13.660 1.00 0.00 H new ATOM 0 HA SER A 5 -15.768 3.887 12.899 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.831 4.076 15.203 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.349 4.820 15.770 1.00 0.00 H new ATOM 0 HG SER A 5 -15.651 6.441 14.075 1.00 0.00 H new ATOM 48 N SER A 6 -12.965 3.950 12.844 1.00 0.00 N ATOM 49 CA SER A 6 -11.665 4.520 12.510 1.00 0.00 C ATOM 50 C SER A 6 -11.813 5.959 12.023 1.00 0.00 C ATOM 51 O SER A 6 -11.132 6.863 12.506 1.00 0.00 O ATOM 52 CB SER A 6 -10.973 3.675 11.439 1.00 0.00 C ATOM 53 OG SER A 6 -11.729 3.652 10.241 1.00 0.00 O ATOM 0 H SER A 6 -13.108 2.999 12.503 1.00 0.00 H new ATOM 0 HA SER A 6 -11.053 4.521 13.412 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.980 4.078 11.239 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.836 2.658 11.806 1.00 0.00 H new ATOM 0 HG SER A 6 -11.265 3.107 9.572 1.00 0.00 H new ATOM 59 N GLY A 7 -12.708 6.162 11.061 1.00 0.00 N ATOM 60 CA GLY A 7 -12.929 7.492 10.523 1.00 0.00 C ATOM 61 C GLY A 7 -12.644 7.570 9.036 1.00 0.00 C ATOM 62 O GLY A 7 -12.774 6.579 8.319 1.00 0.00 O ATOM 0 H GLY A 7 -13.284 5.430 10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.961 7.789 10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.293 8.204 11.050 1.00 0.00 H new ATOM 66 N MET A 8 -12.256 8.754 8.572 1.00 0.00 N ATOM 67 CA MET A 8 -11.952 8.957 7.160 1.00 0.00 C ATOM 68 C MET A 8 -10.604 9.650 6.989 1.00 0.00 C ATOM 69 O MET A 8 -10.204 10.465 7.820 1.00 0.00 O ATOM 70 CB MET A 8 -13.052 9.786 6.494 1.00 0.00 C ATOM 71 CG MET A 8 -13.194 9.522 5.004 1.00 0.00 C ATOM 72 SD MET A 8 -13.600 7.804 4.638 1.00 0.00 S ATOM 73 CE MET A 8 -15.385 7.895 4.523 1.00 0.00 C ATOM 0 H MET A 8 -12.145 9.586 9.152 1.00 0.00 H new ATOM 0 HA MET A 8 -11.902 7.980 6.680 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.002 9.574 6.984 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.842 10.844 6.649 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.971 10.169 4.597 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.263 9.786 4.502 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.786 6.906 4.300 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.793 8.247 5.470 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.664 8.587 3.728 1.00 0.00 H new ATOM 83 N ALA A 9 -9.907 9.321 5.906 1.00 0.00 N ATOM 84 CA ALA A 9 -8.605 9.913 5.625 1.00 0.00 C ATOM 85 C ALA A 9 -8.629 11.421 5.848 1.00 0.00 C ATOM 86 O ALA A 9 -7.756 11.973 6.518 1.00 0.00 O ATOM 87 CB ALA A 9 -8.176 9.594 4.201 1.00 0.00 C ATOM 0 H ALA A 9 -10.223 8.647 5.209 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.880 9.481 6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.202 10.042 4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.110 8.513 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.908 9.997 3.501 1.00 0.00 H new ATOM 93 N ASP A 10 -9.632 12.082 5.281 1.00 0.00 N ATOM 94 CA ASP A 10 -9.769 13.528 5.418 1.00 0.00 C ATOM 95 C ASP A 10 -10.960 13.879 6.304 1.00 0.00 C ATOM 96 O ASP A 10 -12.111 13.776 5.882 1.00 0.00 O ATOM 97 CB ASP A 10 -9.930 14.179 4.043 1.00 0.00 C ATOM 98 CG ASP A 10 -8.651 14.139 3.230 1.00 0.00 C ATOM 99 OD1 ASP A 10 -8.263 13.038 2.787 1.00 0.00 O ATOM 100 OD2 ASP A 10 -8.038 15.210 3.037 1.00 0.00 O ATOM 0 H ASP A 10 -10.362 11.640 4.722 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.864 13.911 5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.722 13.670 3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.245 15.215 4.169 1.00 0.00 H new ATOM 105 N GLU A 11 -10.674 14.294 7.534 1.00 0.00 N ATOM 106 CA GLU A 11 -11.722 14.658 8.480 1.00 0.00 C ATOM 107 C GLU A 11 -11.454 16.033 9.086 1.00 0.00 C ATOM 108 O GLU A 11 -11.602 16.232 10.292 1.00 0.00 O ATOM 109 CB GLU A 11 -11.825 13.610 9.590 1.00 0.00 C ATOM 110 CG GLU A 11 -12.559 12.348 9.169 1.00 0.00 C ATOM 111 CD GLU A 11 -14.066 12.498 9.242 1.00 0.00 C ATOM 112 OE1 GLU A 11 -14.669 12.923 8.234 1.00 0.00 O ATOM 113 OE2 GLU A 11 -14.643 12.191 10.307 1.00 0.00 O ATOM 0 H GLU A 11 -9.726 14.386 7.898 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.667 14.697 7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.821 13.343 9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.336 14.049 10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.272 12.088 8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.249 11.521 9.808 1.00 0.00 H new ATOM 120 N LYS A 12 -11.058 16.979 8.241 1.00 0.00 N ATOM 121 CA LYS A 12 -10.769 18.335 8.691 1.00 0.00 C ATOM 122 C LYS A 12 -9.613 18.344 9.686 1.00 0.00 C ATOM 123 O LYS A 12 -9.724 18.859 10.799 1.00 0.00 O ATOM 124 CB LYS A 12 -12.012 18.957 9.332 1.00 0.00 C ATOM 125 CG LYS A 12 -11.949 20.472 9.436 1.00 0.00 C ATOM 126 CD LYS A 12 -12.927 21.000 10.471 1.00 0.00 C ATOM 127 CE LYS A 12 -12.712 22.483 10.735 1.00 0.00 C ATOM 128 NZ LYS A 12 -13.305 22.907 12.034 1.00 0.00 N ATOM 0 H LYS A 12 -10.930 16.831 7.240 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.481 18.926 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.890 18.677 8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.145 18.538 10.329 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.937 20.778 9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.172 20.914 8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.948 20.835 10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.811 20.443 11.401 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.644 22.701 10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.156 23.064 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.137 23.923 12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.329 22.723 12.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.864 22.371 12.808 1.00 0.00 H new ATOM 142 N PRO A 13 -8.475 17.762 9.278 1.00 0.00 N ATOM 143 CA PRO A 13 -7.276 17.691 10.119 1.00 0.00 C ATOM 144 C PRO A 13 -6.624 19.056 10.312 1.00 0.00 C ATOM 145 O PRO A 13 -6.001 19.593 9.396 1.00 0.00 O ATOM 146 CB PRO A 13 -6.348 16.761 9.335 1.00 0.00 C ATOM 147 CG PRO A 13 -6.788 16.892 7.917 1.00 0.00 C ATOM 148 CD PRO A 13 -8.272 17.127 7.965 1.00 0.00 C ATOM 0 HA PRO A 13 -7.503 17.339 11.125 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.304 17.052 9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.434 15.731 9.682 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.277 17.720 7.425 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.554 15.991 7.351 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.603 17.772 7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.829 16.194 7.879 1.00 0.00 H new ATOM 156 N LYS A 14 -6.769 19.612 11.510 1.00 0.00 N ATOM 157 CA LYS A 14 -6.193 20.913 11.826 1.00 0.00 C ATOM 158 C LYS A 14 -4.754 21.005 11.329 1.00 0.00 C ATOM 159 O LYS A 14 -4.085 19.989 11.145 1.00 0.00 O ATOM 160 CB LYS A 14 -6.239 21.162 13.335 1.00 0.00 C ATOM 161 CG LYS A 14 -5.499 20.114 14.147 1.00 0.00 C ATOM 162 CD LYS A 14 -4.034 20.476 14.323 1.00 0.00 C ATOM 163 CE LYS A 14 -3.821 21.364 15.540 1.00 0.00 C ATOM 164 NZ LYS A 14 -4.032 20.620 16.813 1.00 0.00 N ATOM 0 H LYS A 14 -7.282 19.181 12.279 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.784 21.677 11.320 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.811 22.142 13.546 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.280 21.192 13.658 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.969 20.011 15.125 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.579 19.146 13.652 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.443 19.566 14.428 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.675 20.988 13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.810 21.771 15.520 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.506 22.211 15.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.551 21.117 17.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.050 20.562 17.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.642 19.660 16.723 1.00 0.00 H new ATOM 178 N GLU A 15 -4.283 22.230 11.115 1.00 0.00 N ATOM 179 CA GLU A 15 -2.923 22.454 10.640 1.00 0.00 C ATOM 180 C GLU A 15 -1.924 21.623 11.440 1.00 0.00 C ATOM 181 O GLU A 15 -1.729 21.847 12.634 1.00 0.00 O ATOM 182 CB GLU A 15 -2.562 23.938 10.737 1.00 0.00 C ATOM 183 CG GLU A 15 -3.254 24.801 9.695 1.00 0.00 C ATOM 184 CD GLU A 15 -2.581 24.729 8.338 1.00 0.00 C ATOM 185 OE1 GLU A 15 -1.383 24.382 8.288 1.00 0.00 O ATOM 186 OE2 GLU A 15 -3.253 25.020 7.326 1.00 0.00 O ATOM 0 H GLU A 15 -4.824 23.082 11.263 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.875 22.144 9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.823 24.303 11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.483 24.049 10.630 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.293 24.485 9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.266 25.836 10.036 1.00 0.00 H new ATOM 193 N GLY A 16 -1.294 20.661 10.773 1.00 0.00 N ATOM 194 CA GLY A 16 -0.323 19.811 11.437 1.00 0.00 C ATOM 195 C GLY A 16 0.769 20.605 12.125 1.00 0.00 C ATOM 196 O GLY A 16 1.075 21.729 11.726 1.00 0.00 O ATOM 0 H GLY A 16 -1.439 20.455 9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.833 19.188 12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.127 19.139 10.706 1.00 0.00 H new ATOM 200 N VAL A 17 1.359 20.021 13.163 1.00 0.00 N ATOM 201 CA VAL A 17 2.423 20.682 13.909 1.00 0.00 C ATOM 202 C VAL A 17 3.682 19.823 13.948 1.00 0.00 C ATOM 203 O VAL A 17 3.632 18.643 14.294 1.00 0.00 O ATOM 204 CB VAL A 17 1.986 20.997 15.352 1.00 0.00 C ATOM 205 CG1 VAL A 17 3.109 21.683 16.113 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.729 21.854 15.352 1.00 0.00 C ATOM 0 H VAL A 17 1.118 19.091 13.506 1.00 0.00 H new ATOM 0 HA VAL A 17 2.639 21.616 13.391 1.00 0.00 H new ATOM 0 HB VAL A 17 1.759 20.058 15.857 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.781 21.897 17.130 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.981 21.029 16.143 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.372 22.615 15.612 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.434 22.067 16.379 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.927 22.790 14.830 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.076 21.320 14.847 1.00 0.00 H new ATOM 216 N LYS A 18 4.812 20.424 13.590 1.00 0.00 N ATOM 217 CA LYS A 18 6.087 19.716 13.585 1.00 0.00 C ATOM 218 C LYS A 18 6.631 19.564 15.002 1.00 0.00 C ATOM 219 O LYS A 18 7.178 20.508 15.573 1.00 0.00 O ATOM 220 CB LYS A 18 7.103 20.458 12.714 1.00 0.00 C ATOM 221 CG LYS A 18 8.515 19.911 12.826 1.00 0.00 C ATOM 222 CD LYS A 18 9.535 20.875 12.243 1.00 0.00 C ATOM 223 CE LYS A 18 10.034 21.859 13.289 1.00 0.00 C ATOM 224 NZ LYS A 18 11.156 21.295 14.090 1.00 0.00 N ATOM 0 H LYS A 18 4.871 21.400 13.299 1.00 0.00 H new ATOM 0 HA LYS A 18 5.920 18.722 13.170 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.784 20.405 11.673 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.107 21.512 12.993 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.750 19.721 13.873 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.578 18.955 12.306 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.378 20.314 11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.088 21.421 11.412 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.363 22.775 12.798 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.214 22.130 13.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.468 21.996 14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.836 20.435 14.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.949 21.060 13.459 1.00 0.00 H new ATOM 238 N THR A 19 6.479 18.369 15.565 1.00 0.00 N ATOM 239 CA THR A 19 6.955 18.094 16.915 1.00 0.00 C ATOM 240 C THR A 19 7.674 16.752 16.981 1.00 0.00 C ATOM 241 O THR A 19 7.259 15.783 16.346 1.00 0.00 O ATOM 242 CB THR A 19 5.796 18.093 17.930 1.00 0.00 C ATOM 243 OG1 THR A 19 4.743 17.238 17.471 1.00 0.00 O ATOM 244 CG2 THR A 19 5.258 19.501 18.138 1.00 0.00 C ATOM 0 H THR A 19 6.030 17.576 15.107 1.00 0.00 H new ATOM 0 HA THR A 19 7.653 18.891 17.173 1.00 0.00 H new ATOM 0 HB THR A 19 6.176 17.722 18.882 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.011 17.242 18.123 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.441 19.475 18.859 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.054 20.143 18.515 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.893 19.895 17.189 1.00 0.00 H new ATOM 252 N GLU A 20 8.755 16.702 17.754 1.00 0.00 N ATOM 253 CA GLU A 20 9.532 15.477 17.902 1.00 0.00 C ATOM 254 C GLU A 20 8.615 14.269 18.075 1.00 0.00 C ATOM 255 O GLU A 20 8.826 13.224 17.461 1.00 0.00 O ATOM 256 CB GLU A 20 10.478 15.589 19.099 1.00 0.00 C ATOM 257 CG GLU A 20 11.536 14.500 19.142 1.00 0.00 C ATOM 258 CD GLU A 20 12.728 14.877 20.001 1.00 0.00 C ATOM 259 OE1 GLU A 20 13.131 16.058 19.971 1.00 0.00 O ATOM 260 OE2 GLU A 20 13.256 13.990 20.704 1.00 0.00 O ATOM 0 H GLU A 20 9.112 17.495 18.287 1.00 0.00 H new ATOM 0 HA GLU A 20 10.120 15.338 16.995 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.970 16.561 19.073 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.893 15.552 20.018 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.092 13.582 19.527 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.876 14.289 18.128 1.00 0.00 H new ATOM 267 N ASN A 21 7.597 14.422 18.916 1.00 0.00 N ATOM 268 CA ASN A 21 6.649 13.344 19.171 1.00 0.00 C ATOM 269 C ASN A 21 6.418 12.513 17.913 1.00 0.00 C ATOM 270 O ASN A 21 6.538 11.289 17.935 1.00 0.00 O ATOM 271 CB ASN A 21 5.319 13.914 19.670 1.00 0.00 C ATOM 272 CG ASN A 21 4.191 12.903 19.592 1.00 0.00 C ATOM 273 OD1 ASN A 21 3.158 13.156 18.972 1.00 0.00 O ATOM 274 ND2 ASN A 21 4.385 11.751 20.223 1.00 0.00 N ATOM 0 H ASN A 21 7.408 15.281 19.432 1.00 0.00 H new ATOM 0 HA ASN A 21 7.071 12.697 19.940 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.434 14.247 20.701 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.058 14.792 19.079 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.662 11.032 20.206 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.258 11.585 20.725 1.00 0.00 H new ATOM 281 N ASN A 22 6.088 13.188 16.816 1.00 0.00 N ATOM 282 CA ASN A 22 5.841 12.511 15.548 1.00 0.00 C ATOM 283 C ASN A 22 6.808 11.347 15.355 1.00 0.00 C ATOM 284 O ASN A 22 7.963 11.409 15.776 1.00 0.00 O ATOM 285 CB ASN A 22 5.975 13.498 14.386 1.00 0.00 C ATOM 286 CG ASN A 22 4.864 14.530 14.373 1.00 0.00 C ATOM 287 OD1 ASN A 22 5.118 15.733 14.423 1.00 0.00 O ATOM 288 ND2 ASN A 22 3.623 14.062 14.305 1.00 0.00 N ATOM 0 H ASN A 22 5.986 14.202 16.780 1.00 0.00 H new ATOM 0 HA ASN A 22 4.825 12.116 15.567 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.938 14.005 14.453 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.969 12.949 13.444 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.834 14.708 14.293 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.459 13.056 14.265 1.00 0.00 H new ATOM 295 N ASP A 23 6.327 10.286 14.716 1.00 0.00 N ATOM 296 CA ASP A 23 7.148 9.108 14.465 1.00 0.00 C ATOM 297 C ASP A 23 6.494 8.199 13.429 1.00 0.00 C ATOM 298 O ASP A 23 5.348 7.779 13.592 1.00 0.00 O ATOM 299 CB ASP A 23 7.380 8.335 15.765 1.00 0.00 C ATOM 300 CG ASP A 23 6.096 8.101 16.536 1.00 0.00 C ATOM 301 OD1 ASP A 23 5.697 8.997 17.310 1.00 0.00 O ATOM 302 OD2 ASP A 23 5.490 7.023 16.365 1.00 0.00 O ATOM 0 H ASP A 23 5.373 10.218 14.363 1.00 0.00 H new ATOM 0 HA ASP A 23 8.109 9.443 14.073 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.843 7.375 15.536 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.081 8.886 16.392 1.00 0.00 H new ATOM 307 N HIS A 24 7.229 7.902 12.362 1.00 0.00 N ATOM 308 CA HIS A 24 6.719 7.043 11.298 1.00 0.00 C ATOM 309 C HIS A 24 7.705 5.921 10.986 1.00 0.00 C ATOM 310 O HIS A 24 8.895 6.028 11.283 1.00 0.00 O ATOM 311 CB HIS A 24 6.447 7.865 10.037 1.00 0.00 C ATOM 312 CG HIS A 24 5.377 8.897 10.214 1.00 0.00 C ATOM 313 ND1 HIS A 24 5.404 9.846 11.214 1.00 0.00 N ATOM 314 CD2 HIS A 24 4.244 9.127 9.510 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.334 10.614 11.119 1.00 0.00 C ATOM 316 NE2 HIS A 24 3.614 10.199 10.092 1.00 0.00 N ATOM 0 H HIS A 24 8.178 8.243 12.211 1.00 0.00 H new ATOM 0 HA HIS A 24 5.785 6.597 11.640 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.369 8.358 9.729 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.161 7.192 9.229 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.900 8.571 8.651 1.00 0.00 H new ATOM 0 HE1 HIS A 24 4.089 11.440 11.770 1.00 0.00 H new ATOM 0 HE2 HIS A 24 2.733 10.609 9.782 1.00 0.00 H new ATOM 325 N ILE A 25 7.201 4.848 10.387 1.00 0.00 N ATOM 326 CA ILE A 25 8.038 3.707 10.035 1.00 0.00 C ATOM 327 C ILE A 25 8.035 3.468 8.529 1.00 0.00 C ATOM 328 O ILE A 25 6.980 3.432 7.897 1.00 0.00 O ATOM 329 CB ILE A 25 7.570 2.425 10.748 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.108 2.130 10.408 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.753 2.559 12.252 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.599 0.834 10.999 1.00 0.00 C ATOM 0 H ILE A 25 6.218 4.744 10.135 1.00 0.00 H new ATOM 0 HA ILE A 25 9.051 3.945 10.361 1.00 0.00 H new ATOM 0 HB ILE A 25 8.179 1.591 10.400 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.487 2.951 10.766 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.996 2.094 9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.418 1.645 12.742 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.806 2.726 12.477 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.166 3.402 12.616 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.556 0.690 10.717 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.195 0.003 10.621 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.679 0.873 12.085 1.00 0.00 H new ATOM 344 N ASN A 26 9.225 3.302 7.959 1.00 0.00 N ATOM 345 CA ASN A 26 9.360 3.064 6.527 1.00 0.00 C ATOM 346 C ASN A 26 9.275 1.573 6.213 1.00 0.00 C ATOM 347 O ASN A 26 9.963 0.758 6.828 1.00 0.00 O ATOM 348 CB ASN A 26 10.688 3.629 6.018 1.00 0.00 C ATOM 349 CG ASN A 26 11.159 4.819 6.832 1.00 0.00 C ATOM 350 OD1 ASN A 26 11.164 4.781 8.062 1.00 0.00 O ATOM 351 ND2 ASN A 26 11.560 5.883 6.146 1.00 0.00 N ATOM 0 H ASN A 26 10.109 3.328 8.467 1.00 0.00 H new ATOM 0 HA ASN A 26 8.539 3.571 6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.448 2.848 6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.578 3.926 4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.889 6.713 6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.539 5.870 5.126 1.00 0.00 H new ATOM 358 N LEU A 27 8.428 1.224 5.251 1.00 0.00 N ATOM 359 CA LEU A 27 8.253 -0.168 4.854 1.00 0.00 C ATOM 360 C LEU A 27 8.490 -0.341 3.357 1.00 0.00 C ATOM 361 O LEU A 27 7.880 0.346 2.537 1.00 0.00 O ATOM 362 CB LEU A 27 6.848 -0.651 5.218 1.00 0.00 C ATOM 363 CG LEU A 27 6.214 -0.002 6.449 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.711 -0.232 6.459 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.847 -0.542 7.723 1.00 0.00 C ATOM 0 H LEU A 27 7.852 1.886 4.732 1.00 0.00 H new ATOM 0 HA LEU A 27 8.987 -0.768 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.193 -0.479 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.886 -1.728 5.379 1.00 0.00 H new ATOM 0 HG LEU A 27 6.396 1.072 6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.277 0.237 7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.270 0.204 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.507 -1.303 6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.383 -0.069 8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.697 -1.620 7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.915 -0.324 7.719 1.00 0.00 H new ATOM 377 N LYS A 28 9.378 -1.265 3.006 1.00 0.00 N ATOM 378 CA LYS A 28 9.694 -1.533 1.608 1.00 0.00 C ATOM 379 C LYS A 28 8.791 -2.626 1.046 1.00 0.00 C ATOM 380 O LYS A 28 8.866 -3.782 1.463 1.00 0.00 O ATOM 381 CB LYS A 28 11.161 -1.944 1.465 1.00 0.00 C ATOM 382 CG LYS A 28 12.140 -0.842 1.831 1.00 0.00 C ATOM 383 CD LYS A 28 13.441 -1.409 2.374 1.00 0.00 C ATOM 384 CE LYS A 28 14.163 -0.403 3.256 1.00 0.00 C ATOM 385 NZ LYS A 28 15.075 0.472 2.468 1.00 0.00 N ATOM 0 H LYS A 28 9.892 -1.842 3.672 1.00 0.00 H new ATOM 0 HA LYS A 28 9.523 -0.618 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.350 -2.811 2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.344 -2.254 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.347 -0.231 0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.689 -0.186 2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.234 -2.313 2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.087 -1.697 1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.431 0.213 3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.736 -0.933 4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.548 1.144 3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.789 -0.113 1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.525 0.997 1.758 1.00 0.00 H new ATOM 399 N VAL A 29 7.939 -2.253 0.096 1.00 0.00 N ATOM 400 CA VAL A 29 7.024 -3.203 -0.525 1.00 0.00 C ATOM 401 C VAL A 29 7.636 -3.816 -1.780 1.00 0.00 C ATOM 402 O VAL A 29 7.905 -3.118 -2.757 1.00 0.00 O ATOM 403 CB VAL A 29 5.686 -2.534 -0.895 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.748 -3.538 -1.546 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.044 -1.912 0.336 1.00 0.00 C ATOM 0 H VAL A 29 7.864 -1.300 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 29 6.839 -3.989 0.207 1.00 0.00 H new ATOM 0 HB VAL A 29 5.884 -1.740 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.809 -3.047 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.208 -3.931 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.554 -4.357 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.100 -1.444 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.859 -2.686 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.713 -1.159 0.754 1.00 0.00 H new ATOM 415 N ALA A 30 7.854 -5.127 -1.745 1.00 0.00 N ATOM 416 CA ALA A 30 8.432 -5.835 -2.880 1.00 0.00 C ATOM 417 C ALA A 30 7.348 -6.491 -3.728 1.00 0.00 C ATOM 418 O ALA A 30 6.476 -7.187 -3.209 1.00 0.00 O ATOM 419 CB ALA A 30 9.431 -6.877 -2.399 1.00 0.00 C ATOM 0 H ALA A 30 7.639 -5.719 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 30 8.953 -5.108 -3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.855 -7.398 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.229 -6.386 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.926 -7.594 -1.752 1.00 0.00 H new ATOM 425 N GLY A 31 7.408 -6.265 -5.037 1.00 0.00 N ATOM 426 CA GLY A 31 6.425 -6.840 -5.936 1.00 0.00 C ATOM 427 C GLY A 31 7.038 -7.319 -7.236 1.00 0.00 C ATOM 428 O GLY A 31 6.937 -8.497 -7.580 1.00 0.00 O ATOM 0 H GLY A 31 8.121 -5.693 -5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.930 -7.676 -5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.657 -6.098 -6.152 1.00 0.00 H new ATOM 432 N GLN A 32 7.674 -6.405 -7.961 1.00 0.00 N ATOM 433 CA GLN A 32 8.304 -6.741 -9.232 1.00 0.00 C ATOM 434 C GLN A 32 9.707 -7.298 -9.014 1.00 0.00 C ATOM 435 O GLN A 32 10.203 -7.334 -7.888 1.00 0.00 O ATOM 436 CB GLN A 32 8.367 -5.508 -10.136 1.00 0.00 C ATOM 437 CG GLN A 32 8.290 -5.836 -11.618 1.00 0.00 C ATOM 438 CD GLN A 32 7.254 -6.898 -11.928 1.00 0.00 C ATOM 439 OE1 GLN A 32 6.172 -6.916 -11.341 1.00 0.00 O ATOM 440 NE2 GLN A 32 7.581 -7.792 -12.854 1.00 0.00 N ATOM 0 H GLN A 32 7.767 -5.426 -7.690 1.00 0.00 H new ATOM 0 HA GLN A 32 7.700 -7.508 -9.717 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.548 -4.836 -9.878 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.294 -4.970 -9.939 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.053 -4.929 -12.175 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.267 -6.176 -11.962 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.489 -7.739 -13.315 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.924 -8.531 -13.104 1.00 0.00 H new ATOM 449 N ASP A 33 10.340 -7.733 -10.098 1.00 0.00 N ATOM 450 CA ASP A 33 11.686 -8.289 -10.026 1.00 0.00 C ATOM 451 C ASP A 33 12.727 -7.179 -9.918 1.00 0.00 C ATOM 452 O ASP A 33 13.791 -7.250 -10.531 1.00 0.00 O ATOM 453 CB ASP A 33 11.971 -9.154 -11.255 1.00 0.00 C ATOM 454 CG ASP A 33 11.542 -8.485 -12.546 1.00 0.00 C ATOM 455 OD1 ASP A 33 11.903 -7.307 -12.752 1.00 0.00 O ATOM 456 OD2 ASP A 33 10.846 -9.139 -13.349 1.00 0.00 O ATOM 0 H ASP A 33 9.942 -7.711 -11.037 1.00 0.00 H new ATOM 0 HA ASP A 33 11.748 -8.910 -9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.037 -9.375 -11.301 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.452 -10.107 -11.153 1.00 0.00 H new ATOM 461 N GLY A 34 12.412 -6.153 -9.134 1.00 0.00 N ATOM 462 CA GLY A 34 13.329 -5.042 -8.961 1.00 0.00 C ATOM 463 C GLY A 34 12.630 -3.780 -8.495 1.00 0.00 C ATOM 464 O GLY A 34 13.276 -2.838 -8.035 1.00 0.00 O ATOM 0 H GLY A 34 11.538 -6.071 -8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.096 -5.317 -8.237 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.838 -4.845 -9.905 1.00 0.00 H new ATOM 468 N SER A 35 11.307 -3.759 -8.615 1.00 0.00 N ATOM 469 CA SER A 35 10.520 -2.601 -8.207 1.00 0.00 C ATOM 470 C SER A 35 10.272 -2.615 -6.702 1.00 0.00 C ATOM 471 O SER A 35 9.739 -3.582 -6.157 1.00 0.00 O ATOM 472 CB SER A 35 9.185 -2.576 -8.955 1.00 0.00 C ATOM 473 OG SER A 35 8.684 -1.255 -9.059 1.00 0.00 O ATOM 0 H SER A 35 10.757 -4.531 -8.992 1.00 0.00 H new ATOM 0 HA SER A 35 11.085 -1.703 -8.456 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.315 -2.999 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.461 -3.203 -8.435 1.00 0.00 H new ATOM 0 HG SER A 35 7.831 -1.266 -9.542 1.00 0.00 H new ATOM 479 N VAL A 36 10.664 -1.534 -6.034 1.00 0.00 N ATOM 480 CA VAL A 36 10.484 -1.420 -4.592 1.00 0.00 C ATOM 481 C VAL A 36 9.789 -0.113 -4.226 1.00 0.00 C ATOM 482 O VAL A 36 10.323 0.972 -4.457 1.00 0.00 O ATOM 483 CB VAL A 36 11.832 -1.497 -3.850 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.637 -1.251 -2.362 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.498 -2.843 -4.095 1.00 0.00 C ATOM 0 H VAL A 36 11.108 -0.725 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 36 9.860 -2.259 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 36 12.487 -0.718 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.600 -1.309 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.206 -0.261 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.965 -2.006 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.449 -2.880 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.849 -3.641 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.674 -2.973 -5.163 1.00 0.00 H new ATOM 495 N VAL A 37 8.595 -0.224 -3.653 1.00 0.00 N ATOM 496 CA VAL A 37 7.826 0.948 -3.254 1.00 0.00 C ATOM 497 C VAL A 37 7.833 1.120 -1.739 1.00 0.00 C ATOM 498 O VAL A 37 7.415 0.228 -1.002 1.00 0.00 O ATOM 499 CB VAL A 37 6.368 0.858 -3.742 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.664 2.195 -3.574 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.320 0.399 -5.192 1.00 0.00 C ATOM 0 H VAL A 37 8.139 -1.115 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 37 8.303 1.811 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 37 5.844 0.121 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.635 2.111 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.667 2.478 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.184 2.956 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.282 0.341 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.859 1.111 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.784 -0.584 -5.278 1.00 0.00 H new ATOM 511 N GLN A 38 8.311 2.273 -1.282 1.00 0.00 N ATOM 512 CA GLN A 38 8.373 2.561 0.146 1.00 0.00 C ATOM 513 C GLN A 38 7.148 3.351 0.595 1.00 0.00 C ATOM 514 O GLN A 38 6.473 3.984 -0.216 1.00 0.00 O ATOM 515 CB GLN A 38 9.647 3.342 0.476 1.00 0.00 C ATOM 516 CG GLN A 38 10.901 2.483 0.488 1.00 0.00 C ATOM 517 CD GLN A 38 12.150 3.270 0.145 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.420 3.550 -1.023 1.00 0.00 O ATOM 519 NE2 GLN A 38 12.921 3.631 1.164 1.00 0.00 N ATOM 0 H GLN A 38 8.661 3.022 -1.879 1.00 0.00 H new ATOM 0 HA GLN A 38 8.388 1.612 0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.772 4.142 -0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.531 3.815 1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.019 2.033 1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.784 1.666 -0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.659 3.378 2.117 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.775 4.162 0.994 1.00 0.00 H new ATOM 528 N PHE A 39 6.866 3.309 1.893 1.00 0.00 N ATOM 529 CA PHE A 39 5.721 4.019 2.451 1.00 0.00 C ATOM 530 C PHE A 39 5.997 4.452 3.888 1.00 0.00 C ATOM 531 O PHE A 39 6.370 3.639 4.733 1.00 0.00 O ATOM 532 CB PHE A 39 4.473 3.136 2.403 1.00 0.00 C ATOM 533 CG PHE A 39 4.004 2.835 1.008 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.552 1.785 0.290 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.015 3.603 0.415 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.123 1.507 -0.994 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.581 3.330 -0.869 1.00 0.00 C ATOM 538 CZ PHE A 39 3.136 2.280 -1.574 1.00 0.00 C ATOM 0 H PHE A 39 7.415 2.790 2.579 1.00 0.00 H new ATOM 0 HA PHE A 39 5.549 4.911 1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.681 2.198 2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.669 3.628 2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.323 1.177 0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.578 4.425 0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.559 0.686 -1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.810 3.937 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.799 2.064 -2.577 1.00 0.00 H new ATOM 548 N LYS A 40 5.811 5.740 4.157 1.00 0.00 N ATOM 549 CA LYS A 40 6.038 6.284 5.491 1.00 0.00 C ATOM 550 C LYS A 40 4.717 6.649 6.161 1.00 0.00 C ATOM 551 O LYS A 40 4.077 7.636 5.797 1.00 0.00 O ATOM 552 CB LYS A 40 6.941 7.517 5.414 1.00 0.00 C ATOM 553 CG LYS A 40 7.521 7.930 6.756 1.00 0.00 C ATOM 554 CD LYS A 40 8.674 8.906 6.588 1.00 0.00 C ATOM 555 CE LYS A 40 8.188 10.347 6.578 1.00 0.00 C ATOM 556 NZ LYS A 40 9.225 11.279 6.056 1.00 0.00 N ATOM 0 H LYS A 40 5.504 6.427 3.469 1.00 0.00 H new ATOM 0 HA LYS A 40 6.530 5.518 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.758 7.316 4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.371 8.350 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.741 8.388 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.866 7.046 7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.390 8.768 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.200 8.692 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.290 10.423 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.910 10.643 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.855 12.251 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.073 11.226 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.473 11.012 5.082 1.00 0.00 H new ATOM 570 N ILE A 41 4.317 5.849 7.143 1.00 0.00 N ATOM 571 CA ILE A 41 3.074 6.090 7.866 1.00 0.00 C ATOM 572 C ILE A 41 3.310 6.113 9.372 1.00 0.00 C ATOM 573 O ILE A 41 4.437 5.945 9.839 1.00 0.00 O ATOM 574 CB ILE A 41 2.016 5.020 7.539 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.318 3.725 8.296 1.00 0.00 C ATOM 576 CG2 ILE A 41 1.965 4.765 6.040 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.266 2.654 8.106 1.00 0.00 C ATOM 0 H ILE A 41 4.835 5.028 7.457 1.00 0.00 H new ATOM 0 HA ILE A 41 2.705 7.064 7.544 1.00 0.00 H new ATOM 0 HB ILE A 41 1.040 5.386 7.858 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.282 3.338 7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.410 3.948 9.359 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.212 4.006 5.825 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.707 5.689 5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.939 4.417 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.546 1.765 8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.304 3.022 8.462 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.190 2.402 7.048 1.00 0.00 H new ATOM 589 N LYS A 42 2.238 6.320 10.130 1.00 0.00 N ATOM 590 CA LYS A 42 2.326 6.362 11.585 1.00 0.00 C ATOM 591 C LYS A 42 2.089 4.979 12.184 1.00 0.00 C ATOM 592 O LYS A 42 1.642 4.062 11.495 1.00 0.00 O ATOM 593 CB LYS A 42 1.307 7.355 12.150 1.00 0.00 C ATOM 594 CG LYS A 42 1.337 8.711 11.465 1.00 0.00 C ATOM 595 CD LYS A 42 0.201 9.600 11.942 1.00 0.00 C ATOM 596 CE LYS A 42 0.156 10.909 11.169 1.00 0.00 C ATOM 597 NZ LYS A 42 -0.918 11.812 11.667 1.00 0.00 N ATOM 0 H LYS A 42 1.298 6.461 9.760 1.00 0.00 H new ATOM 0 HA LYS A 42 3.330 6.689 11.854 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.307 6.931 12.055 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.496 7.491 13.215 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.291 9.199 11.664 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.267 8.576 10.386 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.747 9.075 11.826 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.322 9.808 13.005 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.120 11.412 11.250 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.006 10.701 10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.915 12.693 11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.841 11.343 11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.749 12.032 12.669 1.00 0.00 H new ATOM 611 N ARG A 43 2.389 4.837 13.471 1.00 0.00 N ATOM 612 CA ARG A 43 2.208 3.566 14.162 1.00 0.00 C ATOM 613 C ARG A 43 0.733 3.313 14.457 1.00 0.00 C ATOM 614 O ARG A 43 0.250 2.187 14.338 1.00 0.00 O ATOM 615 CB ARG A 43 3.010 3.552 15.465 1.00 0.00 C ATOM 616 CG ARG A 43 4.486 3.246 15.269 1.00 0.00 C ATOM 617 CD ARG A 43 5.313 3.708 16.459 1.00 0.00 C ATOM 618 NE ARG A 43 5.051 2.906 17.652 1.00 0.00 N ATOM 619 CZ ARG A 43 5.441 3.256 18.872 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.107 4.387 19.060 1.00 0.00 N ATOM 621 NH2 ARG A 43 5.165 2.474 19.908 1.00 0.00 N ATOM 0 H ARG A 43 2.758 5.586 14.056 1.00 0.00 H new ATOM 0 HA ARG A 43 2.572 2.771 13.511 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.910 4.521 15.953 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.580 2.810 16.138 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.621 2.174 15.125 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.843 3.736 14.364 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.372 3.650 16.209 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.092 4.754 16.670 1.00 0.00 H new ATOM 0 HE ARG A 43 4.541 2.030 17.542 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.321 4.991 18.266 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.405 4.653 19.998 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.653 1.603 19.767 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.465 2.744 20.845 1.00 0.00 H new ATOM 635 N HIS A 44 0.022 4.368 14.843 1.00 0.00 N ATOM 636 CA HIS A 44 -1.399 4.260 15.155 1.00 0.00 C ATOM 637 C HIS A 44 -2.246 4.452 13.901 1.00 0.00 C ATOM 638 O HIS A 44 -3.469 4.576 13.978 1.00 0.00 O ATOM 639 CB HIS A 44 -1.790 5.292 16.213 1.00 0.00 C ATOM 640 CG HIS A 44 -2.130 6.635 15.643 1.00 0.00 C ATOM 641 ND1 HIS A 44 -3.386 6.956 15.172 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.370 7.742 15.470 1.00 0.00 C ATOM 643 CE1 HIS A 44 -3.383 8.203 14.733 1.00 0.00 C ATOM 644 NE2 HIS A 44 -2.172 8.702 14.903 1.00 0.00 N ATOM 0 H HIS A 44 0.406 5.307 14.947 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.585 3.260 15.548 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.646 4.918 16.775 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.968 5.404 16.920 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.191 6.330 15.164 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.327 7.850 15.730 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.227 8.725 14.308 1.00 0.00 H new ATOM 653 N THR A 45 -1.589 4.478 12.746 1.00 0.00 N ATOM 654 CA THR A 45 -2.281 4.657 11.476 1.00 0.00 C ATOM 655 C THR A 45 -2.479 3.324 10.764 1.00 0.00 C ATOM 656 O THR A 45 -1.549 2.530 10.612 1.00 0.00 O ATOM 657 CB THR A 45 -1.510 5.613 10.546 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.749 6.971 10.933 1.00 0.00 O ATOM 659 CG2 THR A 45 -1.928 5.412 9.097 1.00 0.00 C ATOM 0 H THR A 45 -0.577 4.377 12.664 1.00 0.00 H new ATOM 0 HA THR A 45 -3.254 5.091 11.706 1.00 0.00 H new ATOM 0 HB THR A 45 -0.446 5.392 10.635 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.254 7.573 10.338 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.370 6.098 8.459 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.718 4.385 8.797 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.995 5.609 8.996 1.00 0.00 H new ATOM 667 N PRO A 46 -3.717 3.069 10.317 1.00 0.00 N ATOM 668 CA PRO A 46 -4.065 1.831 9.612 1.00 0.00 C ATOM 669 C PRO A 46 -3.442 1.761 8.222 1.00 0.00 C ATOM 670 O PRO A 46 -3.377 2.763 7.508 1.00 0.00 O ATOM 671 CB PRO A 46 -5.591 1.897 9.512 1.00 0.00 C ATOM 672 CG PRO A 46 -5.912 3.351 9.569 1.00 0.00 C ATOM 673 CD PRO A 46 -4.873 3.969 10.463 1.00 0.00 C ATOM 0 HA PRO A 46 -3.696 0.947 10.133 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.947 1.449 8.584 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.065 1.355 10.330 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.886 3.796 8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.914 3.514 9.965 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.632 4.986 10.155 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.213 4.022 11.497 1.00 0.00 H new ATOM 681 N LEU A 47 -2.985 0.573 7.843 1.00 0.00 N ATOM 682 CA LEU A 47 -2.368 0.371 6.537 1.00 0.00 C ATOM 683 C LEU A 47 -3.315 0.790 5.416 1.00 0.00 C ATOM 684 O LEU A 47 -2.884 1.066 4.297 1.00 0.00 O ATOM 685 CB LEU A 47 -1.967 -1.094 6.360 1.00 0.00 C ATOM 686 CG LEU A 47 -1.042 -1.671 7.433 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.912 -3.177 7.272 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.326 -1.006 7.371 1.00 0.00 C ATOM 0 H LEU A 47 -3.030 -0.266 8.422 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.475 0.994 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.874 -1.697 6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.479 -1.202 5.391 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.479 -1.467 8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.250 -3.570 8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.895 -3.639 7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.498 -3.403 6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.971 -1.429 8.141 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.770 -1.178 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.217 0.066 7.537 1.00 0.00 H new ATOM 700 N SER A 48 -4.606 0.836 5.727 1.00 0.00 N ATOM 701 CA SER A 48 -5.615 1.220 4.746 1.00 0.00 C ATOM 702 C SER A 48 -5.079 2.299 3.810 1.00 0.00 C ATOM 703 O SER A 48 -5.166 2.176 2.587 1.00 0.00 O ATOM 704 CB SER A 48 -6.878 1.720 5.450 1.00 0.00 C ATOM 705 OG SER A 48 -6.633 2.939 6.129 1.00 0.00 O ATOM 0 H SER A 48 -4.978 0.612 6.650 1.00 0.00 H new ATOM 0 HA SER A 48 -5.863 0.340 4.153 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.674 1.861 4.719 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.225 0.968 6.159 1.00 0.00 H new ATOM 0 HG SER A 48 -7.455 3.239 6.569 1.00 0.00 H new ATOM 711 N LYS A 49 -4.526 3.357 4.392 1.00 0.00 N ATOM 712 CA LYS A 49 -3.975 4.459 3.613 1.00 0.00 C ATOM 713 C LYS A 49 -2.770 4.000 2.798 1.00 0.00 C ATOM 714 O LYS A 49 -2.609 4.384 1.639 1.00 0.00 O ATOM 715 CB LYS A 49 -3.570 5.611 4.536 1.00 0.00 C ATOM 716 CG LYS A 49 -4.700 6.104 5.423 1.00 0.00 C ATOM 717 CD LYS A 49 -4.235 7.213 6.353 1.00 0.00 C ATOM 718 CE LYS A 49 -4.026 8.519 5.603 1.00 0.00 C ATOM 719 NZ LYS A 49 -2.750 8.520 4.836 1.00 0.00 N ATOM 0 H LYS A 49 -4.447 3.475 5.402 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.746 4.806 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.740 5.288 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.206 6.441 3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.519 6.468 4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.091 5.274 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.972 7.360 7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.304 6.917 6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.860 8.683 4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.025 9.348 6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.250 9.418 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.153 7.730 5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.954 8.413 3.822 1.00 0.00 H new ATOM 733 N LEU A 50 -1.927 3.175 3.410 1.00 0.00 N ATOM 734 CA LEU A 50 -0.737 2.662 2.740 1.00 0.00 C ATOM 735 C LEU A 50 -1.115 1.841 1.512 1.00 0.00 C ATOM 736 O LEU A 50 -0.687 2.140 0.397 1.00 0.00 O ATOM 737 CB LEU A 50 0.087 1.808 3.705 1.00 0.00 C ATOM 738 CG LEU A 50 0.935 0.705 3.069 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.740 1.257 1.903 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.856 0.076 4.105 1.00 0.00 C ATOM 0 H LEU A 50 -2.046 2.847 4.369 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.138 3.513 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.747 2.467 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.593 1.348 4.423 1.00 0.00 H new ATOM 0 HG LEU A 50 0.267 -0.068 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.337 0.458 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.062 1.660 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.399 2.049 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.452 -0.707 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.518 0.839 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.259 -0.356 4.908 1.00 0.00 H new ATOM 752 N MET A 51 -1.921 0.806 1.723 1.00 0.00 N ATOM 753 CA MET A 51 -2.360 -0.056 0.632 1.00 0.00 C ATOM 754 C MET A 51 -2.985 0.765 -0.492 1.00 0.00 C ATOM 755 O MET A 51 -2.663 0.576 -1.665 1.00 0.00 O ATOM 756 CB MET A 51 -3.365 -1.090 1.143 1.00 0.00 C ATOM 757 CG MET A 51 -2.854 -1.903 2.322 1.00 0.00 C ATOM 758 SD MET A 51 -4.180 -2.449 3.415 1.00 0.00 S ATOM 759 CE MET A 51 -3.538 -4.029 3.962 1.00 0.00 C ATOM 0 H MET A 51 -2.284 0.544 2.640 1.00 0.00 H new ATOM 0 HA MET A 51 -1.486 -0.574 0.237 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.283 -0.579 1.435 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.622 -1.768 0.329 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.313 -2.773 1.951 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.143 -1.304 2.891 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.329 -4.778 3.919 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.716 -4.332 3.314 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.178 -3.940 4.987 1.00 0.00 H new ATOM 769 N LYS A 52 -3.879 1.676 -0.126 1.00 0.00 N ATOM 770 CA LYS A 52 -4.549 2.527 -1.103 1.00 0.00 C ATOM 771 C LYS A 52 -3.533 3.298 -1.940 1.00 0.00 C ATOM 772 O LYS A 52 -3.592 3.286 -3.169 1.00 0.00 O ATOM 773 CB LYS A 52 -5.490 3.506 -0.397 1.00 0.00 C ATOM 774 CG LYS A 52 -6.815 2.886 0.015 1.00 0.00 C ATOM 775 CD LYS A 52 -7.848 2.990 -1.094 1.00 0.00 C ATOM 776 CE LYS A 52 -9.075 2.143 -0.795 1.00 0.00 C ATOM 777 NZ LYS A 52 -10.104 2.259 -1.865 1.00 0.00 N ATOM 0 H LYS A 52 -4.157 1.845 0.841 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.131 1.887 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.992 3.901 0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.684 4.351 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.662 1.838 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.189 3.385 0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.145 4.031 -1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.405 2.670 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.779 1.100 -0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.506 2.451 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.924 1.667 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.406 3.251 -1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.702 1.941 -2.770 1.00 0.00 H new ATOM 791 N ALA A 53 -2.602 3.964 -1.267 1.00 0.00 N ATOM 792 CA ALA A 53 -1.571 4.737 -1.949 1.00 0.00 C ATOM 793 C ALA A 53 -0.704 3.841 -2.827 1.00 0.00 C ATOM 794 O ALA A 53 -0.019 4.317 -3.732 1.00 0.00 O ATOM 795 CB ALA A 53 -0.711 5.479 -0.937 1.00 0.00 C ATOM 0 H ALA A 53 -2.540 3.984 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.064 5.465 -2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.054 6.052 -1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.336 6.156 -0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.234 4.762 -0.269 1.00 0.00 H new ATOM 801 N TYR A 54 -0.739 2.541 -2.554 1.00 0.00 N ATOM 802 CA TYR A 54 0.047 1.579 -3.317 1.00 0.00 C ATOM 803 C TYR A 54 -0.694 1.152 -4.581 1.00 0.00 C ATOM 804 O TYR A 54 -0.078 0.876 -5.612 1.00 0.00 O ATOM 805 CB TYR A 54 0.363 0.352 -2.459 1.00 0.00 C ATOM 806 CG TYR A 54 1.052 -0.758 -3.221 1.00 0.00 C ATOM 807 CD1 TYR A 54 2.414 -0.703 -3.486 1.00 0.00 C ATOM 808 CD2 TYR A 54 0.340 -1.862 -3.673 1.00 0.00 C ATOM 809 CE1 TYR A 54 3.048 -1.715 -4.182 1.00 0.00 C ATOM 810 CE2 TYR A 54 0.965 -2.879 -4.369 1.00 0.00 C ATOM 811 CZ TYR A 54 2.319 -2.800 -4.621 1.00 0.00 C ATOM 812 OH TYR A 54 2.947 -3.811 -5.313 1.00 0.00 O ATOM 0 H TYR A 54 -1.303 2.130 -1.810 1.00 0.00 H new ATOM 0 HA TYR A 54 0.980 2.060 -3.609 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.995 0.655 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.564 -0.032 -2.033 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.988 0.145 -3.142 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.720 -1.926 -3.477 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.108 -1.656 -4.381 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.397 -3.730 -4.714 1.00 0.00 H new ATOM 0 HH TYR A 54 3.126 -4.560 -4.707 1.00 0.00 H new ATOM 822 N CYS A 55 -2.018 1.100 -4.494 1.00 0.00 N ATOM 823 CA CYS A 55 -2.845 0.707 -5.630 1.00 0.00 C ATOM 824 C CYS A 55 -2.980 1.853 -6.627 1.00 0.00 C ATOM 825 O CYS A 55 -3.004 1.636 -7.837 1.00 0.00 O ATOM 826 CB CYS A 55 -4.229 0.266 -5.151 1.00 0.00 C ATOM 827 SG CYS A 55 -4.195 -1.004 -3.864 1.00 0.00 S ATOM 0 H CYS A 55 -2.543 1.325 -3.649 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.358 -0.130 -6.130 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.765 1.137 -4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.794 -0.111 -6.004 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.578 -0.544 -2.817 1.00 0.00 H new ATOM 833 N GLU A 56 -3.068 3.074 -6.108 1.00 0.00 N ATOM 834 CA GLU A 56 -3.204 4.255 -6.954 1.00 0.00 C ATOM 835 C GLU A 56 -1.894 4.560 -7.675 1.00 0.00 C ATOM 836 O GLU A 56 -1.887 4.861 -8.869 1.00 0.00 O ATOM 837 CB GLU A 56 -3.631 5.462 -6.117 1.00 0.00 C ATOM 838 CG GLU A 56 -2.464 6.252 -5.548 1.00 0.00 C ATOM 839 CD GLU A 56 -2.913 7.430 -4.704 1.00 0.00 C ATOM 840 OE1 GLU A 56 -3.964 7.317 -4.040 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.212 8.463 -4.709 1.00 0.00 O ATOM 0 H GLU A 56 -3.048 3.271 -5.107 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.971 4.050 -7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.240 6.123 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.262 5.120 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.844 5.591 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.841 6.613 -6.366 1.00 0.00 H new ATOM 848 N ARG A 57 -0.789 4.480 -6.942 1.00 0.00 N ATOM 849 CA ARG A 57 0.527 4.749 -7.511 1.00 0.00 C ATOM 850 C ARG A 57 0.713 4.000 -8.827 1.00 0.00 C ATOM 851 O ARG A 57 0.897 4.612 -9.879 1.00 0.00 O ATOM 852 CB ARG A 57 1.624 4.349 -6.523 1.00 0.00 C ATOM 853 CG ARG A 57 2.995 4.901 -6.879 1.00 0.00 C ATOM 854 CD ARG A 57 4.001 4.654 -5.766 1.00 0.00 C ATOM 855 NE ARG A 57 5.373 4.894 -6.206 1.00 0.00 N ATOM 856 CZ ARG A 57 6.383 5.121 -5.373 1.00 0.00 C ATOM 857 NH1 ARG A 57 6.175 5.139 -4.064 1.00 0.00 N ATOM 858 NH2 ARG A 57 7.603 5.330 -5.850 1.00 0.00 N ATOM 0 H ARG A 57 -0.778 4.231 -5.953 1.00 0.00 H new ATOM 0 HA ARG A 57 0.599 5.818 -7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.349 4.697 -5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.680 3.261 -6.476 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.348 4.436 -7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.919 5.971 -7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.773 5.303 -4.920 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.907 3.627 -5.414 1.00 0.00 H new ATOM 0 HE ARG A 57 5.566 4.887 -7.207 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.238 4.978 -3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.952 5.313 -3.427 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.766 5.317 -6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.378 5.504 -5.210 1.00 0.00 H new ATOM 872 N GLN A 58 0.666 2.673 -8.759 1.00 0.00 N ATOM 873 CA GLN A 58 0.832 1.842 -9.945 1.00 0.00 C ATOM 874 C GLN A 58 -0.429 1.859 -10.802 1.00 0.00 C ATOM 875 O GLN A 58 -0.367 2.077 -12.011 1.00 0.00 O ATOM 876 CB GLN A 58 1.169 0.405 -9.543 1.00 0.00 C ATOM 877 CG GLN A 58 2.396 0.295 -8.651 1.00 0.00 C ATOM 878 CD GLN A 58 3.555 1.136 -9.147 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.889 1.117 -10.332 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.177 1.881 -8.240 1.00 0.00 N ATOM 0 H GLN A 58 0.514 2.151 -7.896 1.00 0.00 H new ATOM 0 HA GLN A 58 1.654 2.251 -10.532 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.314 -0.029 -9.025 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.330 -0.187 -10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.134 0.605 -7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.707 -0.748 -8.594 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.867 1.866 -7.268 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.965 2.468 -8.515 1.00 0.00 H new ATOM 889 N GLY A 59 -1.575 1.628 -10.167 1.00 0.00 N ATOM 890 CA GLY A 59 -2.834 1.621 -10.887 1.00 0.00 C ATOM 891 C GLY A 59 -3.489 0.254 -10.898 1.00 0.00 C ATOM 892 O GLY A 59 -4.091 -0.147 -11.895 1.00 0.00 O ATOM 0 H GLY A 59 -1.653 1.446 -9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.513 2.342 -10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.664 1.947 -11.913 1.00 0.00 H new ATOM 896 N LEU A 60 -3.371 -0.465 -9.787 1.00 0.00 N ATOM 897 CA LEU A 60 -3.955 -1.797 -9.672 1.00 0.00 C ATOM 898 C LEU A 60 -5.143 -1.790 -8.716 1.00 0.00 C ATOM 899 O LEU A 60 -5.501 -0.750 -8.162 1.00 0.00 O ATOM 900 CB LEU A 60 -2.903 -2.797 -9.188 1.00 0.00 C ATOM 901 CG LEU A 60 -1.516 -2.670 -9.819 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.446 -3.168 -8.861 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.455 -3.435 -11.133 1.00 0.00 C ATOM 0 H LEU A 60 -2.876 -0.148 -8.953 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.307 -2.098 -10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.800 -2.691 -8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.275 -3.804 -9.376 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.328 -1.616 -10.026 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.534 -3.070 -9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.473 -2.577 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.631 -4.215 -8.622 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.461 -3.333 -11.567 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.665 -4.489 -10.951 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.196 -3.032 -11.824 1.00 0.00 H new ATOM 915 N SER A 61 -5.750 -2.957 -8.526 1.00 0.00 N ATOM 916 CA SER A 61 -6.900 -3.085 -7.638 1.00 0.00 C ATOM 917 C SER A 61 -6.507 -3.778 -6.337 1.00 0.00 C ATOM 918 O SER A 61 -5.689 -4.697 -6.333 1.00 0.00 O ATOM 919 CB SER A 61 -8.019 -3.867 -8.327 1.00 0.00 C ATOM 920 OG SER A 61 -8.769 -3.030 -9.191 1.00 0.00 O ATOM 0 H SER A 61 -5.465 -3.827 -8.975 1.00 0.00 H new ATOM 0 HA SER A 61 -7.259 -2.083 -7.402 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.593 -4.693 -8.896 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.678 -4.303 -7.576 1.00 0.00 H new ATOM 0 HG SER A 61 -9.477 -3.554 -9.621 1.00 0.00 H new ATOM 926 N MET A 62 -7.096 -3.330 -5.233 1.00 0.00 N ATOM 927 CA MET A 62 -6.809 -3.907 -3.925 1.00 0.00 C ATOM 928 C MET A 62 -6.975 -5.423 -3.952 1.00 0.00 C ATOM 929 O MET A 62 -6.104 -6.161 -3.491 1.00 0.00 O ATOM 930 CB MET A 62 -7.727 -3.300 -2.863 1.00 0.00 C ATOM 931 CG MET A 62 -7.214 -1.987 -2.295 1.00 0.00 C ATOM 932 SD MET A 62 -8.141 -1.448 -0.845 1.00 0.00 S ATOM 933 CE MET A 62 -6.829 -1.318 0.367 1.00 0.00 C ATOM 0 H MET A 62 -7.775 -2.569 -5.218 1.00 0.00 H new ATOM 0 HA MET A 62 -5.774 -3.677 -3.673 1.00 0.00 H new ATOM 0 HB2 MET A 62 -8.714 -3.138 -3.297 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.850 -4.015 -2.049 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.163 -2.097 -2.029 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.270 -1.217 -3.064 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.262 -1.204 1.361 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.217 -2.220 0.339 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.208 -0.451 0.140 1.00 0.00 H new ATOM 943 N ARG A 63 -8.099 -5.881 -4.493 1.00 0.00 N ATOM 944 CA ARG A 63 -8.380 -7.309 -4.578 1.00 0.00 C ATOM 945 C ARG A 63 -7.356 -8.013 -5.464 1.00 0.00 C ATOM 946 O ARG A 63 -6.855 -9.083 -5.120 1.00 0.00 O ATOM 947 CB ARG A 63 -9.790 -7.542 -5.125 1.00 0.00 C ATOM 948 CG ARG A 63 -10.011 -6.953 -6.508 1.00 0.00 C ATOM 949 CD ARG A 63 -11.484 -6.674 -6.766 1.00 0.00 C ATOM 950 NE ARG A 63 -12.188 -7.857 -7.254 1.00 0.00 N ATOM 951 CZ ARG A 63 -12.202 -8.229 -8.529 1.00 0.00 C ATOM 952 NH1 ARG A 63 -11.554 -7.515 -9.439 1.00 0.00 N ATOM 953 NH2 ARG A 63 -12.866 -9.318 -8.896 1.00 0.00 N ATOM 0 H ARG A 63 -8.830 -5.284 -4.879 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.314 -7.727 -3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.984 -8.614 -5.160 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.514 -7.109 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.442 -6.029 -6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.632 -7.642 -7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.954 -6.327 -5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.578 -5.870 -7.495 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.696 -8.428 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.043 -6.677 -9.161 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.567 -7.803 -10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.366 -9.870 -8.199 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.876 -9.603 -9.875 1.00 0.00 H new ATOM 967 N GLN A 64 -7.052 -7.404 -6.606 1.00 0.00 N ATOM 968 CA GLN A 64 -6.089 -7.973 -7.541 1.00 0.00 C ATOM 969 C GLN A 64 -4.768 -8.278 -6.844 1.00 0.00 C ATOM 970 O GLN A 64 -4.115 -9.279 -7.141 1.00 0.00 O ATOM 971 CB GLN A 64 -5.854 -7.015 -8.710 1.00 0.00 C ATOM 972 CG GLN A 64 -6.826 -7.211 -9.863 1.00 0.00 C ATOM 973 CD GLN A 64 -6.747 -8.601 -10.462 1.00 0.00 C ATOM 974 OE1 GLN A 64 -7.728 -9.346 -10.463 1.00 0.00 O ATOM 975 NE2 GLN A 64 -5.576 -8.960 -10.976 1.00 0.00 N ATOM 0 H GLN A 64 -7.458 -6.518 -6.905 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.500 -8.907 -7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.933 -5.989 -8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.836 -7.146 -9.077 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.842 -7.028 -9.512 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.618 -6.473 -10.638 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.789 -8.311 -10.954 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.464 -9.884 -11.393 1.00 0.00 H new ATOM 984 N ILE A 65 -4.379 -7.409 -5.918 1.00 0.00 N ATOM 985 CA ILE A 65 -3.135 -7.586 -5.178 1.00 0.00 C ATOM 986 C ILE A 65 -3.406 -8.041 -3.748 1.00 0.00 C ATOM 987 O ILE A 65 -4.539 -7.982 -3.272 1.00 0.00 O ATOM 988 CB ILE A 65 -2.311 -6.286 -5.144 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.112 -5.165 -4.477 1.00 0.00 C ATOM 990 CG2 ILE A 65 -1.897 -5.883 -6.552 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.247 -4.080 -3.875 1.00 0.00 C ATOM 0 H ILE A 65 -4.907 -6.575 -5.662 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.564 -8.355 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.409 -6.461 -4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.780 -4.719 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.740 -5.593 -3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.315 -4.962 -6.511 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.292 -6.675 -6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.787 -5.723 -7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.881 -3.319 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.597 -4.513 -3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.638 -3.625 -4.656 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.357 -8.492 -3.068 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.481 -8.957 -1.692 1.00 0.00 C ATOM 1005 C ARG A 66 -1.271 -8.533 -0.864 1.00 0.00 C ATOM 1006 O ARG A 66 -0.132 -8.611 -1.325 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.629 -10.479 -1.656 1.00 0.00 C ATOM 1008 CG ARG A 66 -3.996 -10.968 -2.108 1.00 0.00 C ATOM 1009 CD ARG A 66 -5.107 -10.391 -1.246 1.00 0.00 C ATOM 1010 NE ARG A 66 -6.278 -11.263 -1.206 1.00 0.00 N ATOM 1011 CZ ARG A 66 -6.274 -12.475 -0.662 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -5.166 -12.955 -0.114 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -7.379 -13.209 -0.664 1.00 0.00 N ATOM 0 H ARG A 66 -1.412 -8.545 -3.448 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.373 -8.502 -1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.864 -10.925 -2.292 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.444 -10.830 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.158 -10.687 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.027 -12.057 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.736 -10.236 -0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.396 -9.414 -1.633 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.147 -10.923 -1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.315 -12.393 -0.110 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.165 -13.886 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.234 -12.843 -1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.374 -14.139 -0.246 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.526 -8.084 0.360 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.459 -7.647 1.252 1.00 0.00 C ATOM 1029 C PHE A 67 -0.137 -8.724 2.284 1.00 0.00 C ATOM 1030 O PHE A 67 -0.957 -9.600 2.559 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.856 -6.349 1.959 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.080 -5.199 1.020 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.333 -4.964 0.478 1.00 0.00 C ATOM 1034 CD2 PHE A 67 -0.037 -4.353 0.678 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.542 -3.906 -0.387 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.240 -3.294 -0.186 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.494 -3.070 -0.719 1.00 0.00 C ATOM 0 H PHE A 67 -2.463 -8.013 0.757 1.00 0.00 H new ATOM 0 HA PHE A 67 0.432 -7.467 0.651 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.766 -6.521 2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.076 -6.079 2.671 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.156 -5.615 0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.946 -4.523 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.524 -3.733 -0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.581 -2.642 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.655 -2.243 -1.394 1.00 0.00 H new ATOM 1047 N ARG A 68 1.063 -8.651 2.852 1.00 0.00 N ATOM 1048 CA ARG A 68 1.494 -9.620 3.852 1.00 0.00 C ATOM 1049 C ARG A 68 2.647 -9.066 4.684 1.00 0.00 C ATOM 1050 O ARG A 68 3.409 -8.217 4.220 1.00 0.00 O ATOM 1051 CB ARG A 68 1.920 -10.926 3.178 1.00 0.00 C ATOM 1052 CG ARG A 68 0.761 -11.712 2.587 1.00 0.00 C ATOM 1053 CD ARG A 68 1.061 -13.202 2.550 1.00 0.00 C ATOM 1054 NE ARG A 68 0.253 -13.898 1.551 1.00 0.00 N ATOM 1055 CZ ARG A 68 0.096 -15.217 1.522 1.00 0.00 C ATOM 1056 NH1 ARG A 68 0.688 -15.979 2.432 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -0.654 -15.777 0.582 1.00 0.00 N ATOM 0 H ARG A 68 1.753 -7.931 2.637 1.00 0.00 H new ATOM 0 HA ARG A 68 0.652 -9.819 4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.636 -10.700 2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.437 -11.550 3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.138 -11.535 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.555 -11.356 1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.118 -13.354 2.331 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.874 -13.634 3.533 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.216 -13.341 0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.266 -15.553 3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.566 -16.991 2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.111 -15.195 -0.120 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.774 -16.790 0.561 1.00 0.00 H new ATOM 1071 N PHE A 69 2.768 -9.551 5.915 1.00 0.00 N ATOM 1072 CA PHE A 69 3.827 -9.103 6.813 1.00 0.00 C ATOM 1073 C PHE A 69 4.396 -10.273 7.609 1.00 0.00 C ATOM 1074 O PHE A 69 3.715 -10.852 8.455 1.00 0.00 O ATOM 1075 CB PHE A 69 3.295 -8.032 7.768 1.00 0.00 C ATOM 1076 CG PHE A 69 4.355 -7.435 8.649 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.267 -6.525 8.139 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.440 -7.784 9.987 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.244 -5.974 8.947 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.414 -7.236 10.800 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.318 -6.331 10.279 1.00 0.00 C ATOM 0 H PHE A 69 2.146 -10.254 6.314 1.00 0.00 H new ATOM 0 HA PHE A 69 4.626 -8.676 6.208 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.827 -7.238 7.186 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.517 -8.469 8.394 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.214 -6.243 7.098 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.737 -8.493 10.400 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.948 -5.265 8.537 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.468 -7.515 11.842 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.081 -5.903 10.912 1.00 0.00 H new ATOM 1091 N ASP A 70 5.649 -10.616 7.330 1.00 0.00 N ATOM 1092 CA ASP A 70 6.312 -11.717 8.020 1.00 0.00 C ATOM 1093 C ASP A 70 5.690 -13.055 7.631 1.00 0.00 C ATOM 1094 O ASP A 70 5.756 -14.024 8.386 1.00 0.00 O ATOM 1095 CB ASP A 70 6.228 -11.522 9.534 1.00 0.00 C ATOM 1096 CG ASP A 70 7.327 -12.259 10.274 1.00 0.00 C ATOM 1097 OD1 ASP A 70 7.484 -13.476 10.045 1.00 0.00 O ATOM 1098 OD2 ASP A 70 8.030 -11.618 11.084 1.00 0.00 O ATOM 0 H ASP A 70 6.226 -10.148 6.631 1.00 0.00 H new ATOM 0 HA ASP A 70 7.360 -11.723 7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.289 -10.458 9.764 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.258 -11.870 9.889 1.00 0.00 H new ATOM 1103 N GLY A 71 5.084 -13.099 6.448 1.00 0.00 N ATOM 1104 CA GLY A 71 4.458 -14.322 5.981 1.00 0.00 C ATOM 1105 C GLY A 71 3.059 -14.505 6.534 1.00 0.00 C ATOM 1106 O GLY A 71 2.629 -15.629 6.790 1.00 0.00 O ATOM 0 H GLY A 71 5.016 -12.310 5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.416 -14.312 4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.073 -15.174 6.269 1.00 0.00 H new ATOM 1110 N GLN A 72 2.348 -13.397 6.721 1.00 0.00 N ATOM 1111 CA GLN A 72 0.990 -13.442 7.250 1.00 0.00 C ATOM 1112 C GLN A 72 0.099 -12.422 6.549 1.00 0.00 C ATOM 1113 O GLN A 72 0.526 -11.318 6.208 1.00 0.00 O ATOM 1114 CB GLN A 72 0.999 -13.178 8.757 1.00 0.00 C ATOM 1115 CG GLN A 72 1.767 -14.222 9.553 1.00 0.00 C ATOM 1116 CD GLN A 72 1.678 -13.997 11.049 1.00 0.00 C ATOM 1117 OE1 GLN A 72 0.809 -13.268 11.528 1.00 0.00 O ATOM 1118 NE2 GLN A 72 2.579 -14.623 11.797 1.00 0.00 N ATOM 0 H GLN A 72 2.690 -12.458 6.514 1.00 0.00 H new ATOM 0 HA GLN A 72 0.587 -14.438 7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.436 -12.197 8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.029 -13.142 9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.379 -15.213 9.315 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.814 -14.208 9.249 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.282 -15.218 11.358 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.568 -14.509 12.811 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.170 -12.797 6.328 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.148 -11.928 5.666 1.00 0.00 C ATOM 1129 C PRO A 73 -2.547 -10.739 6.532 1.00 0.00 C ATOM 1130 O PRO A 73 -3.131 -10.907 7.603 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.347 -12.853 5.440 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.222 -13.899 6.494 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.747 -14.097 6.708 1.00 0.00 C ATOM 0 HA PRO A 73 -1.751 -11.490 4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.288 -12.311 5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.326 -13.292 4.442 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.711 -13.585 7.416 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.699 -14.828 6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.522 -14.349 7.744 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.356 -14.906 6.091 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.230 -9.537 6.061 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.558 -8.320 6.793 1.00 0.00 C ATOM 1143 C ILE A 74 -3.791 -7.641 6.206 1.00 0.00 C ATOM 1144 O ILE A 74 -4.061 -7.749 5.011 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.383 -7.324 6.783 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.714 -7.304 5.407 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.374 -7.683 7.863 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.036 -6.023 5.118 1.00 0.00 C ATOM 0 H ILE A 74 -1.747 -9.380 5.176 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.764 -8.616 7.822 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.770 -6.327 6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.023 -8.144 5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.475 -7.451 4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.450 -6.970 7.843 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.858 -7.650 8.839 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.011 -8.687 7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.484 -6.080 4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.655 -5.181 5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.820 -5.884 5.863 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.534 -6.940 7.056 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.738 -6.241 6.621 1.00 0.00 C ATOM 1162 C ASN A 75 -5.583 -4.733 6.791 1.00 0.00 C ATOM 1163 O ASN A 75 -4.814 -4.269 7.631 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.952 -6.733 7.413 1.00 0.00 C ATOM 1165 CG ASN A 75 -6.917 -8.230 7.655 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -6.798 -8.683 8.793 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -7.019 -9.005 6.581 1.00 0.00 N ATOM 0 H ASN A 75 -4.324 -6.841 8.049 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.891 -6.455 5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.992 -6.214 8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.863 -6.476 6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.000 -10.020 6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.116 -8.585 5.657 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.321 -3.974 5.987 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.265 -2.518 6.048 1.00 0.00 C ATOM 1176 C GLU A 76 -6.677 -2.015 7.429 1.00 0.00 C ATOM 1177 O GLU A 76 -6.157 -1.011 7.918 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.172 -1.905 4.979 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.566 -2.507 4.945 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.506 -1.753 4.024 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.595 -0.514 4.155 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -10.151 -2.400 3.174 1.00 0.00 O ATOM 0 H GLU A 76 -6.964 -4.343 5.286 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.236 -2.212 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.253 -0.832 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.706 -2.034 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.501 -3.546 4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.979 -2.513 5.954 1.00 0.00 H new ATOM 1189 N THR A 77 -7.615 -2.721 8.053 1.00 0.00 N ATOM 1190 CA THR A 77 -8.098 -2.346 9.376 1.00 0.00 C ATOM 1191 C THR A 77 -6.990 -2.451 10.417 1.00 0.00 C ATOM 1192 O THR A 77 -6.938 -1.667 11.365 1.00 0.00 O ATOM 1193 CB THR A 77 -9.282 -3.231 9.813 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.888 -4.607 9.821 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.470 -3.044 8.881 1.00 0.00 C ATOM 0 H THR A 77 -8.055 -3.555 7.664 1.00 0.00 H new ATOM 0 HA THR A 77 -8.432 -1.311 9.308 1.00 0.00 H new ATOM 0 HB THR A 77 -9.578 -2.933 10.819 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.645 -5.162 10.101 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.293 -3.678 9.209 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.786 -2.001 8.899 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.183 -3.318 7.866 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.103 -3.424 10.234 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.993 -3.630 11.157 1.00 0.00 C ATOM 1205 C ASP A 78 -4.013 -2.462 11.098 1.00 0.00 C ATOM 1206 O ASP A 78 -3.950 -1.740 10.103 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.268 -4.937 10.833 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.883 -6.130 11.538 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -6.124 -6.162 11.678 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.124 -7.032 11.948 1.00 0.00 O ATOM 0 H ASP A 78 -6.131 -4.082 9.455 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.399 -3.690 12.167 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.290 -5.104 9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.220 -4.849 11.121 1.00 0.00 H new ATOM 1215 N THR A 79 -3.250 -2.282 12.171 1.00 0.00 N ATOM 1216 CA THR A 79 -2.275 -1.201 12.243 1.00 0.00 C ATOM 1217 C THR A 79 -0.850 -1.744 12.241 1.00 0.00 C ATOM 1218 O THR A 79 -0.603 -2.905 12.567 1.00 0.00 O ATOM 1219 CB THR A 79 -2.482 -0.340 13.503 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.013 -1.142 14.563 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.424 0.820 13.217 1.00 0.00 C ATOM 0 H THR A 79 -3.288 -2.871 13.003 1.00 0.00 H new ATOM 0 HA THR A 79 -2.426 -0.581 11.359 1.00 0.00 H new ATOM 0 HB THR A 79 -1.515 0.063 13.803 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.140 -0.587 15.361 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.555 1.414 14.122 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.003 1.445 12.430 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.390 0.433 12.894 1.00 0.00 H new ATOM 1229 N PRO A 80 0.111 -0.887 11.867 1.00 0.00 N ATOM 1230 CA PRO A 80 1.527 -1.259 11.815 1.00 0.00 C ATOM 1231 C PRO A 80 2.122 -1.471 13.203 1.00 0.00 C ATOM 1232 O PRO A 80 3.198 -2.050 13.346 1.00 0.00 O ATOM 1233 CB PRO A 80 2.185 -0.058 11.130 1.00 0.00 C ATOM 1234 CG PRO A 80 1.277 1.087 11.419 1.00 0.00 C ATOM 1235 CD PRO A 80 -0.112 0.512 11.465 1.00 0.00 C ATOM 0 HA PRO A 80 1.681 -2.203 11.292 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.186 0.122 11.522 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.287 -0.221 10.057 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.535 1.560 12.366 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.357 1.853 10.648 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.742 1.040 12.181 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.606 0.578 10.496 1.00 0.00 H new ATOM 1243 N ALA A 81 1.413 -1.000 14.224 1.00 0.00 N ATOM 1244 CA ALA A 81 1.870 -1.140 15.601 1.00 0.00 C ATOM 1245 C ALA A 81 1.445 -2.483 16.186 1.00 0.00 C ATOM 1246 O ALA A 81 2.046 -2.971 17.142 1.00 0.00 O ATOM 1247 CB ALA A 81 1.336 0.001 16.453 1.00 0.00 C ATOM 0 H ALA A 81 0.520 -0.518 14.123 1.00 0.00 H new ATOM 0 HA ALA A 81 2.959 -1.101 15.602 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.685 -0.117 17.479 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.693 0.951 16.055 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.246 -0.012 16.437 1.00 0.00 H new ATOM 1253 N GLN A 82 0.406 -3.074 15.605 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.100 -4.360 16.071 1.00 0.00 C ATOM 1255 C GLN A 82 0.850 -5.490 15.686 1.00 0.00 C ATOM 1256 O GLN A 82 1.019 -6.454 16.433 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.489 -4.626 15.490 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.220 -5.776 16.164 1.00 0.00 C ATOM 1259 CD GLN A 82 -3.720 -5.723 15.944 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -4.192 -5.709 14.807 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -4.477 -5.693 17.035 1.00 0.00 N ATOM 0 H GLN A 82 -0.102 -2.683 14.811 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.170 -4.322 17.158 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.091 -3.722 15.580 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.394 -4.841 14.426 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.834 -6.721 15.782 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.013 -5.756 17.234 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.043 -5.706 17.958 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.493 -5.657 16.950 1.00 0.00 H new ATOM 1270 N LEU A 83 1.468 -5.364 14.517 1.00 0.00 N ATOM 1271 CA LEU A 83 2.401 -6.375 14.032 1.00 0.00 C ATOM 1272 C LEU A 83 3.841 -5.985 14.351 1.00 0.00 C ATOM 1273 O LEU A 83 4.782 -6.517 13.765 1.00 0.00 O ATOM 1274 CB LEU A 83 2.236 -6.569 12.524 1.00 0.00 C ATOM 1275 CG LEU A 83 0.799 -6.576 12.002 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.773 -6.305 10.505 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.122 -7.902 12.318 1.00 0.00 C ATOM 0 H LEU A 83 1.340 -4.572 13.887 1.00 0.00 H new ATOM 0 HA LEU A 83 2.177 -7.313 14.539 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.783 -5.776 12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.707 -7.512 12.245 1.00 0.00 H new ATOM 0 HG LEU A 83 0.247 -5.781 12.504 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.258 -6.314 10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.217 -5.330 10.304 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.341 -7.077 9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.900 -7.888 11.939 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.674 -8.714 11.845 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.107 -8.055 13.397 1.00 0.00 H new ATOM 1289 N GLU A 84 4.003 -5.053 15.286 1.00 0.00 N ATOM 1290 CA GLU A 84 5.328 -4.593 15.683 1.00 0.00 C ATOM 1291 C GLU A 84 6.180 -4.265 14.460 1.00 0.00 C ATOM 1292 O GLU A 84 7.328 -4.696 14.357 1.00 0.00 O ATOM 1293 CB GLU A 84 6.027 -5.655 16.535 1.00 0.00 C ATOM 1294 CG GLU A 84 5.491 -5.747 17.954 1.00 0.00 C ATOM 1295 CD GLU A 84 6.230 -4.838 18.916 1.00 0.00 C ATOM 1296 OE1 GLU A 84 6.636 -3.734 18.498 1.00 0.00 O ATOM 1297 OE2 GLU A 84 6.403 -5.232 20.089 1.00 0.00 O ATOM 0 H GLU A 84 3.234 -4.603 15.782 1.00 0.00 H new ATOM 0 HA GLU A 84 5.207 -3.685 16.274 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.919 -6.626 16.051 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.094 -5.434 16.572 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.432 -5.488 17.956 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.568 -6.777 18.302 1.00 0.00 H new ATOM 1304 N MET A 85 5.608 -3.500 13.536 1.00 0.00 N ATOM 1305 CA MET A 85 6.314 -3.114 12.320 1.00 0.00 C ATOM 1306 C MET A 85 7.486 -2.192 12.642 1.00 0.00 C ATOM 1307 O MET A 85 7.307 -0.989 12.828 1.00 0.00 O ATOM 1308 CB MET A 85 5.358 -2.422 11.347 1.00 0.00 C ATOM 1309 CG MET A 85 4.271 -3.338 10.808 1.00 0.00 C ATOM 1310 SD MET A 85 3.462 -2.668 9.343 1.00 0.00 S ATOM 1311 CE MET A 85 3.749 -3.985 8.164 1.00 0.00 C ATOM 0 H MET A 85 4.658 -3.135 13.606 1.00 0.00 H new ATOM 0 HA MET A 85 6.703 -4.019 11.853 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.891 -1.575 11.850 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.931 -2.021 10.511 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.705 -4.308 10.567 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.525 -3.507 11.585 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.174 -3.794 7.258 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.810 -4.028 7.918 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.438 -4.935 8.597 1.00 0.00 H new ATOM 1321 N GLU A 86 8.684 -2.765 12.706 1.00 0.00 N ATOM 1322 CA GLU A 86 9.884 -1.993 13.007 1.00 0.00 C ATOM 1323 C GLU A 86 10.138 -0.941 11.931 1.00 0.00 C ATOM 1324 O GLU A 86 9.466 -0.918 10.900 1.00 0.00 O ATOM 1325 CB GLU A 86 11.096 -2.919 13.126 1.00 0.00 C ATOM 1326 CG GLU A 86 11.382 -3.714 11.864 1.00 0.00 C ATOM 1327 CD GLU A 86 12.383 -4.830 12.090 1.00 0.00 C ATOM 1328 OE1 GLU A 86 11.962 -5.929 12.506 1.00 0.00 O ATOM 1329 OE2 GLU A 86 13.588 -4.603 11.853 1.00 0.00 O ATOM 0 H GLU A 86 8.849 -3.760 12.554 1.00 0.00 H new ATOM 0 HA GLU A 86 9.729 -1.485 13.959 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.974 -2.324 13.377 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.934 -3.611 13.952 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.451 -4.137 11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.761 -3.042 11.094 1.00 0.00 H new ATOM 1336 N ASP A 87 11.111 -0.072 12.180 1.00 0.00 N ATOM 1337 CA ASP A 87 11.455 0.983 11.234 1.00 0.00 C ATOM 1338 C ASP A 87 12.240 0.419 10.053 1.00 0.00 C ATOM 1339 O ASP A 87 13.052 -0.491 10.214 1.00 0.00 O ATOM 1340 CB ASP A 87 12.270 2.075 11.928 1.00 0.00 C ATOM 1341 CG ASP A 87 13.648 1.595 12.340 1.00 0.00 C ATOM 1342 OD1 ASP A 87 14.520 1.462 11.456 1.00 0.00 O ATOM 1343 OD2 ASP A 87 13.855 1.353 13.548 1.00 0.00 O ATOM 0 H ASP A 87 11.676 -0.077 13.029 1.00 0.00 H new ATOM 0 HA ASP A 87 10.528 1.416 10.858 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.371 2.930 11.259 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.731 2.422 12.809 1.00 0.00 H new ATOM 1348 N GLU A 88 11.989 0.965 8.867 1.00 0.00 N ATOM 1349 CA GLU A 88 12.671 0.514 7.660 1.00 0.00 C ATOM 1350 C GLU A 88 12.337 -0.944 7.359 1.00 0.00 C ATOM 1351 O GLU A 88 13.123 -1.655 6.733 1.00 0.00 O ATOM 1352 CB GLU A 88 14.184 0.682 7.809 1.00 0.00 C ATOM 1353 CG GLU A 88 14.618 2.121 8.034 1.00 0.00 C ATOM 1354 CD GLU A 88 16.082 2.237 8.411 1.00 0.00 C ATOM 1355 OE1 GLU A 88 16.624 1.270 8.987 1.00 0.00 O ATOM 1356 OE2 GLU A 88 16.685 3.293 8.130 1.00 0.00 O ATOM 0 H GLU A 88 11.319 1.719 8.717 1.00 0.00 H new ATOM 0 HA GLU A 88 12.325 1.127 6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.528 0.073 8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.673 0.300 6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.433 2.698 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.008 2.561 8.822 1.00 0.00 H new ATOM 1363 N ASP A 89 11.167 -1.382 7.810 1.00 0.00 N ATOM 1364 CA ASP A 89 10.728 -2.755 7.589 1.00 0.00 C ATOM 1365 C ASP A 89 10.469 -3.012 6.108 1.00 0.00 C ATOM 1366 O ASP A 89 10.723 -2.152 5.264 1.00 0.00 O ATOM 1367 CB ASP A 89 9.462 -3.045 8.398 1.00 0.00 C ATOM 1368 CG ASP A 89 9.381 -4.490 8.848 1.00 0.00 C ATOM 1369 OD1 ASP A 89 10.039 -5.345 8.218 1.00 0.00 O ATOM 1370 OD2 ASP A 89 8.659 -4.767 9.828 1.00 0.00 O ATOM 0 H ASP A 89 10.505 -0.806 8.331 1.00 0.00 H new ATOM 0 HA ASP A 89 11.524 -3.422 7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.435 -2.393 9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.586 -2.806 7.795 1.00 0.00 H new ATOM 1375 N THR A 90 9.963 -4.201 5.798 1.00 0.00 N ATOM 1376 CA THR A 90 9.672 -4.572 4.419 1.00 0.00 C ATOM 1377 C THR A 90 8.350 -5.325 4.319 1.00 0.00 C ATOM 1378 O THR A 90 8.125 -6.300 5.036 1.00 0.00 O ATOM 1379 CB THR A 90 10.793 -5.445 3.824 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.035 -4.732 3.848 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.463 -5.850 2.395 1.00 0.00 C ATOM 0 H THR A 90 9.746 -4.924 6.484 1.00 0.00 H new ATOM 0 HA THR A 90 9.603 -3.645 3.850 1.00 0.00 H new ATOM 0 HB THR A 90 10.881 -6.347 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.743 -5.295 3.470 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.269 -6.466 1.996 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.533 -6.418 2.383 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.351 -4.957 1.780 1.00 0.00 H new ATOM 1389 N ILE A 91 7.480 -4.866 3.426 1.00 0.00 N ATOM 1390 CA ILE A 91 6.181 -5.498 3.232 1.00 0.00 C ATOM 1391 C ILE A 91 6.203 -6.444 2.036 1.00 0.00 C ATOM 1392 O ILE A 91 7.027 -6.301 1.133 1.00 0.00 O ATOM 1393 CB ILE A 91 5.071 -4.451 3.024 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.181 -3.343 4.073 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.701 -5.111 3.084 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.042 -2.349 4.025 1.00 0.00 C ATOM 0 H ILE A 91 7.651 -4.059 2.826 1.00 0.00 H new ATOM 0 HA ILE A 91 5.968 -6.066 4.138 1.00 0.00 H new ATOM 0 HB ILE A 91 5.194 -4.005 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.216 -3.795 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.122 -2.812 3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.927 -4.358 2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.627 -5.867 2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.566 -5.582 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.186 -1.593 4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.019 -1.869 3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.099 -2.868 4.197 1.00 0.00 H new ATOM 1408 N ASP A 92 5.290 -7.409 2.036 1.00 0.00 N ATOM 1409 CA ASP A 92 5.202 -8.378 0.949 1.00 0.00 C ATOM 1410 C ASP A 92 3.914 -8.188 0.155 1.00 0.00 C ATOM 1411 O ASP A 92 2.819 -8.194 0.718 1.00 0.00 O ATOM 1412 CB ASP A 92 5.271 -9.803 1.501 1.00 0.00 C ATOM 1413 CG ASP A 92 6.579 -10.086 2.212 1.00 0.00 C ATOM 1414 OD1 ASP A 92 7.562 -9.358 1.958 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.622 -11.037 3.021 1.00 0.00 O ATOM 0 H ASP A 92 4.601 -7.541 2.776 1.00 0.00 H new ATOM 0 HA ASP A 92 6.047 -8.215 0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.443 -9.962 2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.144 -10.513 0.683 1.00 0.00 H new ATOM 1420 N VAL A 93 4.052 -8.019 -1.156 1.00 0.00 N ATOM 1421 CA VAL A 93 2.899 -7.827 -2.028 1.00 0.00 C ATOM 1422 C VAL A 93 3.127 -8.473 -3.390 1.00 0.00 C ATOM 1423 O VAL A 93 4.265 -8.723 -3.788 1.00 0.00 O ATOM 1424 CB VAL A 93 2.589 -6.332 -2.227 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.429 -6.151 -3.194 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.289 -5.668 -0.892 1.00 0.00 C ATOM 0 H VAL A 93 4.951 -8.011 -1.638 1.00 0.00 H new ATOM 0 HA VAL A 93 2.050 -8.305 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 93 3.468 -5.851 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.225 -5.088 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.687 -6.590 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.543 -6.646 -2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.072 -4.612 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.427 -6.150 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.153 -5.766 -0.235 1.00 0.00 H new ATOM 1436 N PHE A 94 2.037 -8.741 -4.101 1.00 0.00 N ATOM 1437 CA PHE A 94 2.117 -9.359 -5.420 1.00 0.00 C ATOM 1438 C PHE A 94 1.463 -8.473 -6.476 1.00 0.00 C ATOM 1439 O PHE A 94 0.253 -8.250 -6.450 1.00 0.00 O ATOM 1440 CB PHE A 94 1.446 -10.734 -5.404 1.00 0.00 C ATOM 1441 CG PHE A 94 1.845 -11.582 -4.230 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.364 -11.303 -2.961 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.700 -12.660 -4.396 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.730 -12.081 -1.879 1.00 0.00 C ATOM 1445 CE2 PHE A 94 3.069 -13.442 -3.318 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.582 -13.153 -2.058 1.00 0.00 C ATOM 0 H PHE A 94 1.088 -8.540 -3.786 1.00 0.00 H new ATOM 0 HA PHE A 94 3.170 -9.480 -5.674 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.364 -10.601 -5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.695 -11.262 -6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.695 -10.468 -2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.082 -12.892 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.350 -11.851 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.737 -14.278 -3.460 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.867 -13.764 -1.214 1.00 0.00 H new ATOM 1456 N GLN A 95 2.273 -7.972 -7.403 1.00 0.00 N ATOM 1457 CA GLN A 95 1.774 -7.110 -8.468 1.00 0.00 C ATOM 1458 C GLN A 95 1.400 -7.927 -9.700 1.00 0.00 C ATOM 1459 O GLN A 95 2.271 -8.411 -10.422 1.00 0.00 O ATOM 1460 CB GLN A 95 2.823 -6.060 -8.837 1.00 0.00 C ATOM 1461 CG GLN A 95 2.996 -4.977 -7.784 1.00 0.00 C ATOM 1462 CD GLN A 95 3.866 -3.831 -8.263 1.00 0.00 C ATOM 1463 OE1 GLN A 95 4.534 -3.932 -9.292 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.862 -2.733 -7.517 1.00 0.00 N ATOM 0 H GLN A 95 3.277 -8.148 -7.438 1.00 0.00 H new ATOM 0 HA GLN A 95 0.879 -6.606 -8.103 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.780 -6.556 -8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.543 -5.595 -9.782 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.017 -4.591 -7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.438 -5.414 -6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.293 -2.693 -6.671 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.428 -1.929 -7.789 1.00 0.00 H new ATOM 1473 N GLN A 96 0.100 -8.076 -9.933 1.00 0.00 N ATOM 1474 CA GLN A 96 -0.388 -8.836 -11.077 1.00 0.00 C ATOM 1475 C GLN A 96 -0.515 -7.945 -12.309 1.00 0.00 C ATOM 1476 O GLN A 96 -1.092 -6.860 -12.243 1.00 0.00 O ATOM 1477 CB GLN A 96 -1.740 -9.474 -10.754 1.00 0.00 C ATOM 1478 CG GLN A 96 -2.310 -10.303 -11.893 1.00 0.00 C ATOM 1479 CD GLN A 96 -1.755 -11.714 -11.924 1.00 0.00 C ATOM 1480 OE1 GLN A 96 -2.438 -12.670 -11.555 1.00 0.00 O ATOM 1481 NE2 GLN A 96 -0.510 -11.851 -12.365 1.00 0.00 N ATOM 0 H GLN A 96 -0.634 -7.681 -9.345 1.00 0.00 H new ATOM 0 HA GLN A 96 0.335 -9.623 -11.293 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.632 -10.107 -9.874 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.451 -8.689 -10.497 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.395 -10.346 -11.798 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.092 -9.810 -12.840 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.019 -11.031 -12.661 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.083 -12.776 -12.408 1.00 0.00 H new ATOM 1490 N GLN A 97 0.028 -8.411 -13.429 1.00 0.00 N ATOM 1491 CA GLN A 97 -0.024 -7.654 -14.674 1.00 0.00 C ATOM 1492 C GLN A 97 -1.159 -8.148 -15.564 1.00 0.00 C ATOM 1493 O GLN A 97 -1.065 -9.211 -16.178 1.00 0.00 O ATOM 1494 CB GLN A 97 1.308 -7.765 -15.418 1.00 0.00 C ATOM 1495 CG GLN A 97 2.310 -6.688 -15.035 1.00 0.00 C ATOM 1496 CD GLN A 97 3.692 -6.948 -15.603 1.00 0.00 C ATOM 1497 OE1 GLN A 97 4.110 -6.307 -16.567 1.00 0.00 O ATOM 1498 NE2 GLN A 97 4.409 -7.892 -15.005 1.00 0.00 N ATOM 0 H GLN A 97 0.508 -9.308 -13.500 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.209 -6.609 -14.427 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.745 -8.744 -15.219 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.121 -7.711 -16.491 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.952 -5.721 -15.389 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.374 -6.626 -13.949 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.022 -8.398 -14.209 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.347 -8.111 -15.342 1.00 0.00 H new ATOM 1507 N THR A 98 -2.235 -7.370 -15.629 1.00 0.00 N ATOM 1508 CA THR A 98 -3.390 -7.728 -16.443 1.00 0.00 C ATOM 1509 C THR A 98 -3.023 -7.795 -17.920 1.00 0.00 C ATOM 1510 O THR A 98 -3.267 -8.801 -18.586 1.00 0.00 O ATOM 1511 CB THR A 98 -4.542 -6.723 -16.257 1.00 0.00 C ATOM 1512 OG1 THR A 98 -4.091 -5.399 -16.565 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.072 -6.764 -14.831 1.00 0.00 C ATOM 0 H THR A 98 -2.331 -6.487 -15.127 1.00 0.00 H new ATOM 0 HA THR A 98 -3.719 -8.712 -16.109 1.00 0.00 H new ATOM 0 HB THR A 98 -5.349 -7.000 -16.936 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.830 -4.766 -16.446 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.885 -6.046 -14.724 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.441 -7.765 -14.609 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.270 -6.510 -14.137 1.00 0.00 H new ATOM 1521 N SER A 99 -2.433 -6.717 -18.428 1.00 0.00 N ATOM 1522 CA SER A 99 -2.035 -6.653 -19.829 1.00 0.00 C ATOM 1523 C SER A 99 -0.723 -5.889 -19.986 1.00 0.00 C ATOM 1524 O SER A 99 -0.270 -5.214 -19.063 1.00 0.00 O ATOM 1525 CB SER A 99 -3.130 -5.984 -20.663 1.00 0.00 C ATOM 1526 OG SER A 99 -4.287 -6.798 -20.731 1.00 0.00 O ATOM 0 H SER A 99 -2.220 -5.877 -17.890 1.00 0.00 H new ATOM 0 HA SER A 99 -1.888 -7.672 -20.186 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.386 -5.019 -20.226 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.758 -5.790 -21.669 1.00 0.00 H new ATOM 0 HG SER A 99 -4.972 -6.348 -21.268 1.00 0.00 H new ATOM 1532 N GLY A 100 -0.117 -6.002 -21.164 1.00 0.00 N ATOM 1533 CA GLY A 100 1.137 -5.318 -21.422 1.00 0.00 C ATOM 1534 C GLY A 100 1.056 -3.832 -21.136 1.00 0.00 C ATOM 1535 O GLY A 100 1.239 -3.386 -20.003 1.00 0.00 O ATOM 0 H GLY A 100 -0.472 -6.555 -21.944 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.922 -5.761 -20.809 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.423 -5.470 -22.463 1.00 0.00 H new ATOM 1539 N PRO A 101 0.778 -3.038 -22.180 1.00 0.00 N ATOM 1540 CA PRO A 101 0.669 -1.581 -22.060 1.00 0.00 C ATOM 1541 C PRO A 101 -0.571 -1.155 -21.281 1.00 0.00 C ATOM 1542 O PRO A 101 -1.669 -1.086 -21.833 1.00 0.00 O ATOM 1543 CB PRO A 101 0.574 -1.112 -23.514 1.00 0.00 C ATOM 1544 CG PRO A 101 0.016 -2.279 -24.254 1.00 0.00 C ATOM 1545 CD PRO A 101 0.548 -3.502 -23.559 1.00 0.00 C ATOM 0 HA PRO A 101 1.509 -1.153 -21.513 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -0.072 -0.239 -23.607 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.552 -0.828 -23.903 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -1.074 -2.265 -24.240 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.322 -2.260 -25.300 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.166 -4.325 -23.592 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.468 -3.859 -24.022 1.00 0.00 H new ATOM 1553 N SER A 102 -0.388 -0.871 -19.996 1.00 0.00 N ATOM 1554 CA SER A 102 -1.492 -0.455 -19.140 1.00 0.00 C ATOM 1555 C SER A 102 -1.678 1.059 -19.190 1.00 0.00 C ATOM 1556 O SER A 102 -1.921 1.700 -18.168 1.00 0.00 O ATOM 1557 CB SER A 102 -1.245 -0.902 -17.698 1.00 0.00 C ATOM 1558 OG SER A 102 -0.030 -0.367 -17.200 1.00 0.00 O ATOM 0 H SER A 102 0.515 -0.921 -19.525 1.00 0.00 H new ATOM 0 HA SER A 102 -2.402 -0.928 -19.508 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.074 -0.580 -17.067 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.213 -1.991 -17.652 1.00 0.00 H new ATOM 0 HG SER A 102 0.105 -0.666 -16.276 1.00 0.00 H new ATOM 1564 N SER A 103 -1.562 1.624 -20.388 1.00 0.00 N ATOM 1565 CA SER A 103 -1.713 3.062 -20.572 1.00 0.00 C ATOM 1566 C SER A 103 -3.159 3.419 -20.902 1.00 0.00 C ATOM 1567 O SER A 103 -3.819 2.729 -21.677 1.00 0.00 O ATOM 1568 CB SER A 103 -0.788 3.554 -21.687 1.00 0.00 C ATOM 1569 OG SER A 103 0.569 3.284 -21.381 1.00 0.00 O ATOM 0 H SER A 103 -1.364 1.108 -21.245 1.00 0.00 H new ATOM 0 HA SER A 103 -1.440 3.553 -19.638 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.056 3.069 -22.626 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.925 4.626 -21.831 1.00 0.00 H new ATOM 0 HG SER A 103 1.139 3.607 -22.110 1.00 0.00 H new ATOM 1575 N GLY A 104 -3.645 4.503 -20.305 1.00 0.00 N ATOM 1576 CA GLY A 104 -5.010 4.934 -20.547 1.00 0.00 C ATOM 1577 C GLY A 104 -6.030 4.009 -19.913 1.00 0.00 C ATOM 1578 O GLY A 104 -7.193 4.378 -19.747 1.00 0.00 O ATOM 0 H GLY A 104 -3.118 5.090 -19.658 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.145 5.942 -20.155 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.187 4.984 -21.621 1.00 0.00 H new TER 1582 GLY A 104