USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 830 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 89 SER OG : rot 180:sc= -0.272 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -160:sc= 0.219 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.118 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.905 K(o=-0.9,f=-1.5!) USER MOD Single : A 11 SER OG : rot 31:sc= 0.647 USER MOD Single : A 12 ASN : amide:sc= -1.77! C(o=-1.8!,f=-5.9!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 14 ASN : amide:sc= -2.33! C(o=-2.3!,f=-2.8!) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0125) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 24 ASN :FLIP amide:sc= -4.79! C(o=-5.5!,f=-4.8!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.763 X(o=-0.76,f=-0.83) USER MOD Single : A 37 HIS : no HD1:sc= -5.43! C(o=-5.4!,f=-5!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.278 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0.161 (180deg=0.154) USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= -0.255 (180deg=-0.641) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -110:sc= -0.067 (180deg=-2.24!) USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= -0.758 (180deg=-1.21) USER MOD Single : A 60 MET CE :methyl 148:sc= -0.0344 (180deg=-2.23!) USER MOD Single : A 64 ASN : amide:sc= -0.0877 X(o=-0.088,f=-0.088) USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= -0.919 (180deg=-1.84!) USER MOD Single : A 70 TYR OH : rot -19:sc= -0.0615 USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 0.857 (180deg=0.795) USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= -1.64! (180deg=-4.72!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.833 K(o=-0.83,f=-2.5!) USER MOD Single : A 83 MET CE :methyl -165:sc= -2.28 (180deg=-3.21!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.119 USER MOD Single : A 85 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.7!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 110:sc= -0.0883 USER MOD Single : A 99 TYR OH : rot 180:sc=-0.00701 USER MOD Single : A 100 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.2) USER MOD Single : A 102 TYR OH : rot 30:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.744 X(o=-0.74,f=-0.5) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 80.801 -67.699 79.721 1.00 0.00 N ATOM 2 CA GLY A 1 80.066 -66.747 78.908 1.00 0.00 C ATOM 3 C GLY A 1 78.957 -66.060 79.679 1.00 0.00 C ATOM 4 O GLY A 1 78.323 -66.668 80.542 1.00 0.00 O ATOM 0 H1 GLY A 1 80.925 -68.585 79.191 1.00 0.00 H new ATOM 0 H2 GLY A 1 81.733 -67.305 79.959 1.00 0.00 H new ATOM 0 H3 GLY A 1 80.272 -67.890 80.596 1.00 0.00 H new ATOM 0 HA2 GLY A 1 80.755 -65.996 78.522 1.00 0.00 H new ATOM 0 HA3 GLY A 1 79.640 -67.262 78.047 1.00 0.00 H new ATOM 8 N SER A 2 78.722 -64.789 79.369 1.00 0.00 N ATOM 9 CA SER A 2 77.685 -64.017 80.043 1.00 0.00 C ATOM 10 C SER A 2 77.299 -62.791 79.220 1.00 0.00 C ATOM 11 O SER A 2 77.960 -62.456 78.238 1.00 0.00 O ATOM 12 CB SER A 2 78.162 -63.584 81.430 1.00 0.00 C ATOM 13 OG SER A 2 77.066 -63.371 82.303 1.00 0.00 O ATOM 0 H SER A 2 79.236 -64.272 78.655 1.00 0.00 H new ATOM 0 HA SER A 2 76.806 -64.653 80.151 1.00 0.00 H new ATOM 0 HB2 SER A 2 78.820 -64.347 81.846 1.00 0.00 H new ATOM 0 HB3 SER A 2 78.748 -62.669 81.347 1.00 0.00 H new ATOM 0 HG SER A 2 77.398 -63.097 83.183 1.00 0.00 H new ATOM 19 N SER A 3 76.224 -62.126 79.630 1.00 0.00 N ATOM 20 CA SER A 3 75.746 -60.939 78.930 1.00 0.00 C ATOM 21 C SER A 3 74.653 -60.239 79.731 1.00 0.00 C ATOM 22 O SER A 3 74.197 -60.746 80.755 1.00 0.00 O ATOM 23 CB SER A 3 75.217 -61.317 77.545 1.00 0.00 C ATOM 24 OG SER A 3 74.950 -60.162 76.768 1.00 0.00 O ATOM 0 H SER A 3 75.667 -62.389 80.443 1.00 0.00 H new ATOM 0 HA SER A 3 76.585 -60.252 78.816 1.00 0.00 H new ATOM 0 HB2 SER A 3 75.947 -61.943 77.032 1.00 0.00 H new ATOM 0 HB3 SER A 3 74.307 -61.908 77.649 1.00 0.00 H new ATOM 0 HG SER A 3 74.615 -60.431 75.887 1.00 0.00 H new ATOM 30 N GLY A 4 74.236 -59.069 79.255 1.00 0.00 N ATOM 31 CA GLY A 4 73.200 -58.317 79.938 1.00 0.00 C ATOM 32 C GLY A 4 72.129 -57.814 78.991 1.00 0.00 C ATOM 33 O GLY A 4 71.875 -58.421 77.951 1.00 0.00 O ATOM 0 H GLY A 4 74.597 -58.629 78.409 1.00 0.00 H new ATOM 0 HA2 GLY A 4 72.740 -58.947 80.700 1.00 0.00 H new ATOM 0 HA3 GLY A 4 73.651 -57.470 80.455 1.00 0.00 H new ATOM 37 N SER A 5 71.497 -56.702 79.352 1.00 0.00 N ATOM 38 CA SER A 5 70.443 -56.120 78.529 1.00 0.00 C ATOM 39 C SER A 5 70.059 -54.734 79.038 1.00 0.00 C ATOM 40 O SER A 5 70.543 -54.286 80.078 1.00 0.00 O ATOM 41 CB SER A 5 69.213 -57.031 78.520 1.00 0.00 C ATOM 42 OG SER A 5 68.470 -56.872 77.324 1.00 0.00 O ATOM 0 H SER A 5 71.696 -56.186 80.209 1.00 0.00 H new ATOM 0 HA SER A 5 70.822 -56.022 77.512 1.00 0.00 H new ATOM 0 HB2 SER A 5 69.525 -58.070 78.622 1.00 0.00 H new ATOM 0 HB3 SER A 5 68.581 -56.802 79.378 1.00 0.00 H new ATOM 0 HG SER A 5 67.691 -57.466 77.342 1.00 0.00 H new ATOM 48 N SER A 6 69.185 -54.060 78.297 1.00 0.00 N ATOM 49 CA SER A 6 68.739 -52.723 78.670 1.00 0.00 C ATOM 50 C SER A 6 67.423 -52.377 77.978 1.00 0.00 C ATOM 51 O SER A 6 66.930 -53.135 77.145 1.00 0.00 O ATOM 52 CB SER A 6 69.805 -51.686 78.310 1.00 0.00 C ATOM 53 OG SER A 6 69.886 -51.504 76.907 1.00 0.00 O ATOM 0 H SER A 6 68.772 -54.418 77.436 1.00 0.00 H new ATOM 0 HA SER A 6 68.579 -52.709 79.748 1.00 0.00 H new ATOM 0 HB2 SER A 6 69.570 -50.736 78.790 1.00 0.00 H new ATOM 0 HB3 SER A 6 70.773 -52.006 78.695 1.00 0.00 H new ATOM 0 HG SER A 6 70.573 -50.835 76.703 1.00 0.00 H new ATOM 59 N GLY A 7 66.861 -51.225 78.332 1.00 0.00 N ATOM 60 CA GLY A 7 65.608 -50.798 77.737 1.00 0.00 C ATOM 61 C GLY A 7 65.749 -49.508 76.953 1.00 0.00 C ATOM 62 O GLY A 7 65.451 -49.463 75.761 1.00 0.00 O ATOM 0 H GLY A 7 67.251 -50.580 79.020 1.00 0.00 H new ATOM 0 HA2 GLY A 7 65.237 -51.582 77.077 1.00 0.00 H new ATOM 0 HA3 GLY A 7 64.864 -50.663 78.522 1.00 0.00 H new ATOM 66 N ASN A 8 66.203 -48.455 77.626 1.00 0.00 N ATOM 67 CA ASN A 8 66.380 -47.157 76.985 1.00 0.00 C ATOM 68 C ASN A 8 65.103 -46.725 76.270 1.00 0.00 C ATOM 69 O ASN A 8 65.149 -46.209 75.153 1.00 0.00 O ATOM 70 CB ASN A 8 67.542 -47.210 75.991 1.00 0.00 C ATOM 71 CG ASN A 8 68.033 -45.829 75.602 1.00 0.00 C ATOM 72 OD1 ASN A 8 67.255 -44.877 75.535 1.00 0.00 O ATOM 73 ND2 ASN A 8 69.331 -45.714 75.344 1.00 0.00 N ATOM 0 H ASN A 8 66.455 -48.475 78.614 1.00 0.00 H new ATOM 0 HA ASN A 8 66.607 -46.425 77.760 1.00 0.00 H new ATOM 0 HB2 ASN A 8 68.365 -47.776 76.428 1.00 0.00 H new ATOM 0 HB3 ASN A 8 67.227 -47.746 75.096 1.00 0.00 H new ATOM 0 HD21 ASN A 8 69.720 -44.809 75.078 1.00 0.00 H new ATOM 0 HD22 ASN A 8 69.939 -46.530 75.412 1.00 0.00 H new ATOM 80 N VAL A 9 63.965 -46.938 76.922 1.00 0.00 N ATOM 81 CA VAL A 9 62.676 -46.569 76.350 1.00 0.00 C ATOM 82 C VAL A 9 62.497 -45.055 76.328 1.00 0.00 C ATOM 83 O VAL A 9 63.181 -44.329 77.049 1.00 0.00 O ATOM 84 CB VAL A 9 61.511 -47.201 77.136 1.00 0.00 C ATOM 85 CG1 VAL A 9 61.586 -48.719 77.073 1.00 0.00 C ATOM 86 CG2 VAL A 9 61.519 -46.719 78.578 1.00 0.00 C ATOM 0 H VAL A 9 63.909 -47.364 77.847 1.00 0.00 H new ATOM 0 HA VAL A 9 62.664 -46.948 75.328 1.00 0.00 H new ATOM 0 HB VAL A 9 60.573 -46.888 76.677 1.00 0.00 H new ATOM 0 HG11 VAL A 9 60.755 -49.148 77.634 1.00 0.00 H new ATOM 0 HG12 VAL A 9 61.528 -49.043 76.034 1.00 0.00 H new ATOM 0 HG13 VAL A 9 62.528 -49.055 77.506 1.00 0.00 H new ATOM 0 HG21 VAL A 9 60.690 -47.175 79.119 1.00 0.00 H new ATOM 0 HG22 VAL A 9 62.460 -47.002 79.051 1.00 0.00 H new ATOM 0 HG23 VAL A 9 61.413 -45.634 78.600 1.00 0.00 H new ATOM 96 N ASP A 10 61.573 -44.586 75.498 1.00 0.00 N ATOM 97 CA ASP A 10 61.302 -43.158 75.382 1.00 0.00 C ATOM 98 C ASP A 10 59.962 -42.912 74.697 1.00 0.00 C ATOM 99 O ASP A 10 59.292 -43.851 74.266 1.00 0.00 O ATOM 100 CB ASP A 10 62.422 -42.466 74.604 1.00 0.00 C ATOM 101 CG ASP A 10 63.786 -43.057 74.903 1.00 0.00 C ATOM 102 OD1 ASP A 10 64.115 -44.113 74.324 1.00 0.00 O ATOM 103 OD2 ASP A 10 64.524 -42.462 75.716 1.00 0.00 O ATOM 0 H ASP A 10 60.998 -45.174 74.895 1.00 0.00 H new ATOM 0 HA ASP A 10 61.257 -42.740 76.387 1.00 0.00 H new ATOM 0 HB2 ASP A 10 62.221 -42.546 73.536 1.00 0.00 H new ATOM 0 HB3 ASP A 10 62.428 -41.404 74.849 1.00 0.00 H new ATOM 108 N SER A 11 59.576 -41.644 74.600 1.00 0.00 N ATOM 109 CA SER A 11 58.313 -41.275 73.971 1.00 0.00 C ATOM 110 C SER A 11 58.328 -39.812 73.539 1.00 0.00 C ATOM 111 O SER A 11 59.302 -39.096 73.768 1.00 0.00 O ATOM 112 CB SER A 11 57.149 -41.523 74.931 1.00 0.00 C ATOM 113 OG SER A 11 56.663 -42.849 74.813 1.00 0.00 O ATOM 0 H SER A 11 60.120 -40.855 74.949 1.00 0.00 H new ATOM 0 HA SER A 11 58.182 -41.896 73.085 1.00 0.00 H new ATOM 0 HB2 SER A 11 57.474 -41.341 75.956 1.00 0.00 H new ATOM 0 HB3 SER A 11 56.345 -40.818 74.722 1.00 0.00 H new ATOM 0 HG SER A 11 57.399 -43.446 74.563 1.00 0.00 H new ATOM 119 N ASN A 12 57.240 -39.375 72.913 1.00 0.00 N ATOM 120 CA ASN A 12 57.128 -37.997 72.448 1.00 0.00 C ATOM 121 C ASN A 12 55.701 -37.687 72.006 1.00 0.00 C ATOM 122 O ASN A 12 54.837 -38.564 72.006 1.00 0.00 O ATOM 123 CB ASN A 12 58.098 -37.746 71.292 1.00 0.00 C ATOM 124 CG ASN A 12 57.722 -38.520 70.043 1.00 0.00 C ATOM 125 OD1 ASN A 12 56.545 -38.769 69.785 1.00 0.00 O ATOM 126 ND2 ASN A 12 58.724 -38.904 69.262 1.00 0.00 N ATOM 0 H ASN A 12 56.424 -39.955 72.716 1.00 0.00 H new ATOM 0 HA ASN A 12 57.384 -37.338 73.277 1.00 0.00 H new ATOM 0 HB2 ASN A 12 58.118 -36.680 71.063 1.00 0.00 H new ATOM 0 HB3 ASN A 12 59.106 -38.025 71.600 1.00 0.00 H new ATOM 0 HD21 ASN A 12 58.533 -39.428 68.408 1.00 0.00 H new ATOM 0 HD22 ASN A 12 59.685 -38.675 69.516 1.00 0.00 H new ATOM 133 N GLN A 13 55.463 -36.435 71.629 1.00 0.00 N ATOM 134 CA GLN A 13 54.141 -36.010 71.184 1.00 0.00 C ATOM 135 C GLN A 13 54.169 -34.566 70.695 1.00 0.00 C ATOM 136 O GLN A 13 55.027 -33.781 71.097 1.00 0.00 O ATOM 137 CB GLN A 13 53.126 -36.156 72.319 1.00 0.00 C ATOM 138 CG GLN A 13 51.685 -35.957 71.877 1.00 0.00 C ATOM 139 CD GLN A 13 51.108 -37.184 71.199 1.00 0.00 C ATOM 140 OE1 GLN A 13 51.215 -38.298 71.711 1.00 0.00 O ATOM 141 NE2 GLN A 13 50.493 -36.985 70.039 1.00 0.00 N ATOM 0 H GLN A 13 56.168 -35.698 71.623 1.00 0.00 H new ATOM 0 HA GLN A 13 53.842 -36.650 70.354 1.00 0.00 H new ATOM 0 HB2 GLN A 13 53.228 -37.147 72.761 1.00 0.00 H new ATOM 0 HB3 GLN A 13 53.361 -35.433 73.100 1.00 0.00 H new ATOM 0 HG2 GLN A 13 51.075 -35.705 72.744 1.00 0.00 H new ATOM 0 HG3 GLN A 13 51.632 -35.110 71.193 1.00 0.00 H new ATOM 0 HE21 GLN A 13 50.428 -36.044 69.651 1.00 0.00 H new ATOM 0 HE22 GLN A 13 50.086 -37.773 69.536 1.00 0.00 H new ATOM 150 N ASN A 14 53.226 -34.223 69.824 1.00 0.00 N ATOM 151 CA ASN A 14 53.143 -32.873 69.278 1.00 0.00 C ATOM 152 C ASN A 14 51.854 -32.684 68.485 1.00 0.00 C ATOM 153 O ASN A 14 51.122 -33.641 68.232 1.00 0.00 O ATOM 154 CB ASN A 14 54.352 -32.586 68.385 1.00 0.00 C ATOM 155 CG ASN A 14 55.537 -32.056 69.168 1.00 0.00 C ATOM 156 OD1 ASN A 14 56.556 -32.732 69.309 1.00 0.00 O ATOM 157 ND2 ASN A 14 55.409 -30.838 69.683 1.00 0.00 N ATOM 0 H ASN A 14 52.508 -34.861 69.481 1.00 0.00 H new ATOM 0 HA ASN A 14 53.141 -32.171 70.112 1.00 0.00 H new ATOM 0 HB2 ASN A 14 54.642 -33.500 67.867 1.00 0.00 H new ATOM 0 HB3 ASN A 14 54.072 -31.861 67.621 1.00 0.00 H new ATOM 0 HD21 ASN A 14 56.173 -30.428 70.220 1.00 0.00 H new ATOM 0 HD22 ASN A 14 54.546 -30.313 69.542 1.00 0.00 H new ATOM 164 N LYS A 15 51.583 -31.444 68.093 1.00 0.00 N ATOM 165 CA LYS A 15 50.384 -31.128 67.325 1.00 0.00 C ATOM 166 C LYS A 15 50.664 -30.027 66.307 1.00 0.00 C ATOM 167 O LYS A 15 51.722 -29.399 66.334 1.00 0.00 O ATOM 168 CB LYS A 15 49.254 -30.695 68.262 1.00 0.00 C ATOM 169 CG LYS A 15 48.921 -31.724 69.329 1.00 0.00 C ATOM 170 CD LYS A 15 47.912 -32.743 68.825 1.00 0.00 C ATOM 171 CE LYS A 15 47.742 -33.891 69.808 1.00 0.00 C ATOM 172 NZ LYS A 15 47.173 -33.431 71.105 1.00 0.00 N ATOM 0 H LYS A 15 52.178 -30.640 68.295 1.00 0.00 H new ATOM 0 HA LYS A 15 50.079 -32.026 66.788 1.00 0.00 H new ATOM 0 HB2 LYS A 15 49.533 -29.759 68.746 1.00 0.00 H new ATOM 0 HB3 LYS A 15 48.360 -30.494 67.671 1.00 0.00 H new ATOM 0 HG2 LYS A 15 49.832 -32.236 69.639 1.00 0.00 H new ATOM 0 HG3 LYS A 15 48.522 -31.220 70.210 1.00 0.00 H new ATOM 0 HD2 LYS A 15 46.951 -32.256 68.663 1.00 0.00 H new ATOM 0 HD3 LYS A 15 48.238 -33.133 67.861 1.00 0.00 H new ATOM 0 HE2 LYS A 15 47.089 -34.648 69.373 1.00 0.00 H new ATOM 0 HE3 LYS A 15 48.708 -34.365 69.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 47.009 -34.251 71.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 47.840 -32.779 71.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 46.272 -32.941 70.934 1.00 0.00 H new ATOM 186 N ALA A 16 49.709 -29.799 65.412 1.00 0.00 N ATOM 187 CA ALA A 16 49.852 -28.772 64.387 1.00 0.00 C ATOM 188 C ALA A 16 48.572 -28.630 63.571 1.00 0.00 C ATOM 189 O ALA A 16 47.821 -29.591 63.403 1.00 0.00 O ATOM 190 CB ALA A 16 51.028 -29.094 63.477 1.00 0.00 C ATOM 0 H ALA A 16 48.828 -30.311 65.376 1.00 0.00 H new ATOM 0 HA ALA A 16 50.042 -27.821 64.884 1.00 0.00 H new ATOM 0 HB1 ALA A 16 51.123 -28.319 62.717 1.00 0.00 H new ATOM 0 HB2 ALA A 16 51.943 -29.137 64.067 1.00 0.00 H new ATOM 0 HB3 ALA A 16 50.862 -30.057 62.994 1.00 0.00 H new ATOM 196 N SER A 17 48.329 -27.425 63.065 1.00 0.00 N ATOM 197 CA SER A 17 47.137 -27.156 62.269 1.00 0.00 C ATOM 198 C SER A 17 47.208 -27.874 60.925 1.00 0.00 C ATOM 199 O SER A 17 47.952 -27.470 60.032 1.00 0.00 O ATOM 200 CB SER A 17 46.974 -25.651 62.048 1.00 0.00 C ATOM 201 OG SER A 17 46.751 -24.977 63.274 1.00 0.00 O ATOM 0 H SER A 17 48.942 -26.620 63.192 1.00 0.00 H new ATOM 0 HA SER A 17 46.272 -27.531 62.817 1.00 0.00 H new ATOM 0 HB2 SER A 17 47.867 -25.252 61.567 1.00 0.00 H new ATOM 0 HB3 SER A 17 46.139 -25.468 61.372 1.00 0.00 H new ATOM 0 HG SER A 17 46.652 -24.017 63.106 1.00 0.00 H new ATOM 207 N MET A 18 46.428 -28.941 60.789 1.00 0.00 N ATOM 208 CA MET A 18 46.400 -29.716 59.554 1.00 0.00 C ATOM 209 C MET A 18 46.333 -28.797 58.338 1.00 0.00 C ATOM 210 O MET A 18 47.286 -28.706 57.563 1.00 0.00 O ATOM 211 CB MET A 18 45.206 -30.672 59.552 1.00 0.00 C ATOM 212 CG MET A 18 45.449 -31.946 58.760 1.00 0.00 C ATOM 213 SD MET A 18 43.925 -32.840 58.399 1.00 0.00 S ATOM 214 CE MET A 18 44.553 -34.189 57.401 1.00 0.00 C ATOM 0 H MET A 18 45.807 -29.289 61.519 1.00 0.00 H new ATOM 0 HA MET A 18 47.320 -30.297 59.499 1.00 0.00 H new ATOM 0 HB2 MET A 18 44.960 -30.935 60.581 1.00 0.00 H new ATOM 0 HB3 MET A 18 44.339 -30.157 59.139 1.00 0.00 H new ATOM 0 HG2 MET A 18 45.950 -31.698 57.825 1.00 0.00 H new ATOM 0 HG3 MET A 18 46.122 -32.595 59.320 1.00 0.00 H new ATOM 0 HE1 MET A 18 43.727 -34.833 57.099 1.00 0.00 H new ATOM 0 HE2 MET A 18 45.044 -33.788 56.514 1.00 0.00 H new ATOM 0 HE3 MET A 18 45.271 -34.768 57.982 1.00 0.00 H new ATOM 224 N LEU A 19 45.202 -28.119 58.176 1.00 0.00 N ATOM 225 CA LEU A 19 45.010 -27.208 57.054 1.00 0.00 C ATOM 226 C LEU A 19 43.956 -26.155 57.381 1.00 0.00 C ATOM 227 O LEU A 19 43.000 -26.426 58.108 1.00 0.00 O ATOM 228 CB LEU A 19 44.599 -27.987 55.803 1.00 0.00 C ATOM 229 CG LEU A 19 45.034 -27.387 54.465 1.00 0.00 C ATOM 230 CD1 LEU A 19 45.256 -28.483 53.435 1.00 0.00 C ATOM 231 CD2 LEU A 19 44.001 -26.386 53.968 1.00 0.00 C ATOM 0 H LEU A 19 44.404 -28.183 58.808 1.00 0.00 H new ATOM 0 HA LEU A 19 45.956 -26.701 56.864 1.00 0.00 H new ATOM 0 HB2 LEU A 19 45.008 -28.995 55.876 1.00 0.00 H new ATOM 0 HB3 LEU A 19 43.513 -28.083 55.800 1.00 0.00 H new ATOM 0 HG LEU A 19 45.977 -26.861 54.614 1.00 0.00 H new ATOM 0 HD11 LEU A 19 45.565 -28.037 52.490 1.00 0.00 H new ATOM 0 HD12 LEU A 19 46.033 -29.161 53.787 1.00 0.00 H new ATOM 0 HD13 LEU A 19 44.329 -29.038 53.289 1.00 0.00 H new ATOM 0 HD21 LEU A 19 44.327 -25.969 53.015 1.00 0.00 H new ATOM 0 HD22 LEU A 19 43.042 -26.888 53.836 1.00 0.00 H new ATOM 0 HD23 LEU A 19 43.892 -25.583 54.697 1.00 0.00 H new ATOM 243 N GLN A 20 44.135 -24.956 56.837 1.00 0.00 N ATOM 244 CA GLN A 20 43.198 -23.864 57.070 1.00 0.00 C ATOM 245 C GLN A 20 41.922 -24.059 56.258 1.00 0.00 C ATOM 246 O GLN A 20 41.745 -25.082 55.598 1.00 0.00 O ATOM 247 CB GLN A 20 43.844 -22.524 56.714 1.00 0.00 C ATOM 248 CG GLN A 20 44.321 -22.443 55.273 1.00 0.00 C ATOM 249 CD GLN A 20 45.099 -21.174 54.986 1.00 0.00 C ATOM 250 OE1 GLN A 20 44.731 -20.091 55.442 1.00 0.00 O ATOM 251 NE2 GLN A 20 46.180 -21.300 54.226 1.00 0.00 N ATOM 0 H GLN A 20 44.920 -24.716 56.232 1.00 0.00 H new ATOM 0 HA GLN A 20 42.937 -23.863 58.128 1.00 0.00 H new ATOM 0 HB2 GLN A 20 43.126 -21.724 56.896 1.00 0.00 H new ATOM 0 HB3 GLN A 20 44.690 -22.350 57.379 1.00 0.00 H new ATOM 0 HG2 GLN A 20 44.948 -23.307 55.053 1.00 0.00 H new ATOM 0 HG3 GLN A 20 43.461 -22.496 54.606 1.00 0.00 H new ATOM 0 HE21 GLN A 20 46.449 -22.217 53.869 1.00 0.00 H new ATOM 0 HE22 GLN A 20 46.742 -20.480 53.999 1.00 0.00 H new ATOM 260 N ALA A 21 41.035 -23.070 56.312 1.00 0.00 N ATOM 261 CA ALA A 21 39.776 -23.132 55.579 1.00 0.00 C ATOM 262 C ALA A 21 39.655 -21.973 54.597 1.00 0.00 C ATOM 263 O ALA A 21 40.512 -21.090 54.555 1.00 0.00 O ATOM 264 CB ALA A 21 38.602 -23.132 56.547 1.00 0.00 C ATOM 0 H ALA A 21 41.165 -22.217 56.856 1.00 0.00 H new ATOM 0 HA ALA A 21 39.762 -24.060 55.008 1.00 0.00 H new ATOM 0 HB1 ALA A 21 37.668 -23.179 55.987 1.00 0.00 H new ATOM 0 HB2 ALA A 21 38.673 -23.998 57.206 1.00 0.00 H new ATOM 0 HB3 ALA A 21 38.622 -22.220 57.143 1.00 0.00 H new ATOM 270 N ARG A 22 38.586 -21.982 53.807 1.00 0.00 N ATOM 271 CA ARG A 22 38.354 -20.931 52.823 1.00 0.00 C ATOM 272 C ARG A 22 36.983 -21.089 52.172 1.00 0.00 C ATOM 273 O ARG A 22 36.420 -22.185 52.143 1.00 0.00 O ATOM 274 CB ARG A 22 39.445 -20.957 51.752 1.00 0.00 C ATOM 275 CG ARG A 22 39.595 -22.305 51.066 1.00 0.00 C ATOM 276 CD ARG A 22 40.882 -22.381 50.260 1.00 0.00 C ATOM 277 NE ARG A 22 42.021 -22.777 51.084 1.00 0.00 N ATOM 278 CZ ARG A 22 43.285 -22.664 50.693 1.00 0.00 C ATOM 279 NH1 ARG A 22 43.571 -22.170 49.496 1.00 0.00 N ATOM 280 NH2 ARG A 22 44.267 -23.046 51.499 1.00 0.00 N ATOM 0 H ARG A 22 37.867 -22.705 53.829 1.00 0.00 H new ATOM 0 HA ARG A 22 38.384 -19.971 53.339 1.00 0.00 H new ATOM 0 HB2 ARG A 22 39.222 -20.200 51.001 1.00 0.00 H new ATOM 0 HB3 ARG A 22 40.396 -20.683 52.208 1.00 0.00 H new ATOM 0 HG2 ARG A 22 39.586 -23.098 51.814 1.00 0.00 H new ATOM 0 HG3 ARG A 22 38.742 -22.477 50.409 1.00 0.00 H new ATOM 0 HD2 ARG A 22 40.758 -23.095 49.446 1.00 0.00 H new ATOM 0 HD3 ARG A 22 41.083 -21.411 49.806 1.00 0.00 H new ATOM 0 HE ARG A 22 41.835 -23.161 52.010 1.00 0.00 H new ATOM 0 HH11 ARG A 22 42.819 -21.876 48.873 1.00 0.00 H new ATOM 0 HH12 ARG A 22 44.543 -22.084 49.199 1.00 0.00 H new ATOM 0 HH21 ARG A 22 44.052 -23.427 52.420 1.00 0.00 H new ATOM 0 HH22 ARG A 22 45.237 -22.959 51.197 1.00 0.00 H new ATOM 294 N LEU A 23 36.451 -19.989 51.651 1.00 0.00 N ATOM 295 CA LEU A 23 35.146 -20.005 51.000 1.00 0.00 C ATOM 296 C LEU A 23 35.158 -19.154 49.734 1.00 0.00 C ATOM 297 O LEU A 23 36.176 -18.559 49.384 1.00 0.00 O ATOM 298 CB LEU A 23 34.069 -19.496 51.960 1.00 0.00 C ATOM 299 CG LEU A 23 34.246 -18.064 52.468 1.00 0.00 C ATOM 300 CD1 LEU A 23 32.915 -17.496 52.936 1.00 0.00 C ATOM 301 CD2 LEU A 23 35.271 -18.020 53.591 1.00 0.00 C ATOM 0 H LEU A 23 36.903 -19.075 51.667 1.00 0.00 H new ATOM 0 HA LEU A 23 34.919 -21.034 50.722 1.00 0.00 H new ATOM 0 HB2 LEU A 23 33.103 -19.566 51.461 1.00 0.00 H new ATOM 0 HB3 LEU A 23 34.033 -20.164 52.821 1.00 0.00 H new ATOM 0 HG LEU A 23 34.611 -17.449 51.645 1.00 0.00 H new ATOM 0 HD11 LEU A 23 33.060 -16.477 53.294 1.00 0.00 H new ATOM 0 HD12 LEU A 23 32.209 -17.492 52.106 1.00 0.00 H new ATOM 0 HD13 LEU A 23 32.521 -18.112 53.744 1.00 0.00 H new ATOM 0 HD21 LEU A 23 35.384 -16.994 53.940 1.00 0.00 H new ATOM 0 HD22 LEU A 23 34.935 -18.649 54.415 1.00 0.00 H new ATOM 0 HD23 LEU A 23 36.230 -18.386 53.223 1.00 0.00 H new ATOM 313 N ASN A 24 34.018 -19.100 49.053 1.00 0.00 N ATOM 314 CA ASN A 24 33.898 -18.321 47.826 1.00 0.00 C ATOM 315 C ASN A 24 32.432 -18.101 47.463 1.00 0.00 C ATOM 316 O ASN A 24 31.534 -18.651 48.102 1.00 0.00 O ATOM 317 CB ASN A 24 34.619 -19.026 46.676 1.00 0.00 C ATOM 318 CG ASN A 24 35.882 -19.731 47.131 1.00 0.00 C ATOM 319 OD1 ASN A 24 35.725 -20.930 47.680 1.00 0.00 O flip ATOM 320 ND2 ASN A 24 36.986 -19.203 46.991 1.00 0.00 N flip ATOM 0 H ASN A 24 33.165 -19.586 49.330 1.00 0.00 H new ATOM 0 HA ASN A 24 34.362 -17.350 47.995 1.00 0.00 H new ATOM 0 HB2 ASN A 24 33.946 -19.751 46.219 1.00 0.00 H new ATOM 0 HB3 ASN A 24 34.871 -18.296 45.907 1.00 0.00 H new ATOM 0 HD21 ASN A 24 37.059 -18.280 46.564 1.00 0.00 H new ATOM 0 HD22 ASN A 24 37.827 -19.689 47.302 1.00 0.00 H new ATOM 327 N ASP A 25 32.198 -17.294 46.434 1.00 0.00 N ATOM 328 CA ASP A 25 30.841 -17.002 45.985 1.00 0.00 C ATOM 329 C ASP A 25 30.847 -16.456 44.560 1.00 0.00 C ATOM 330 O ASP A 25 31.905 -16.273 43.960 1.00 0.00 O ATOM 331 CB ASP A 25 30.174 -15.999 46.926 1.00 0.00 C ATOM 332 CG ASP A 25 30.027 -16.537 48.336 1.00 0.00 C ATOM 333 OD1 ASP A 25 30.960 -16.347 49.143 1.00 0.00 O ATOM 334 OD2 ASP A 25 28.980 -17.150 48.632 1.00 0.00 O ATOM 0 H ASP A 25 32.930 -16.831 45.895 1.00 0.00 H new ATOM 0 HA ASP A 25 30.272 -17.932 45.997 1.00 0.00 H new ATOM 0 HB2 ASP A 25 30.762 -15.081 46.950 1.00 0.00 H new ATOM 0 HB3 ASP A 25 29.190 -15.738 46.536 1.00 0.00 H new ATOM 339 N GLU A 26 29.657 -16.199 44.026 1.00 0.00 N ATOM 340 CA GLU A 26 29.526 -15.675 42.671 1.00 0.00 C ATOM 341 C GLU A 26 28.069 -15.354 42.351 1.00 0.00 C ATOM 342 O GLU A 26 27.152 -15.934 42.932 1.00 0.00 O ATOM 343 CB GLU A 26 30.073 -16.682 41.657 1.00 0.00 C ATOM 344 CG GLU A 26 30.465 -16.055 40.329 1.00 0.00 C ATOM 345 CD GLU A 26 30.369 -17.031 39.172 1.00 0.00 C ATOM 346 OE1 GLU A 26 30.772 -18.200 39.348 1.00 0.00 O ATOM 347 OE2 GLU A 26 29.891 -16.626 38.092 1.00 0.00 O ATOM 0 H GLU A 26 28.771 -16.345 44.510 1.00 0.00 H new ATOM 0 HA GLU A 26 30.105 -14.754 42.606 1.00 0.00 H new ATOM 0 HB2 GLU A 26 30.943 -17.180 42.085 1.00 0.00 H new ATOM 0 HB3 GLU A 26 29.321 -17.451 41.479 1.00 0.00 H new ATOM 0 HG2 GLU A 26 29.820 -15.199 40.131 1.00 0.00 H new ATOM 0 HG3 GLU A 26 31.485 -15.677 40.397 1.00 0.00 H new ATOM 354 N ALA A 27 27.864 -14.425 41.423 1.00 0.00 N ATOM 355 CA ALA A 27 26.520 -14.027 41.024 1.00 0.00 C ATOM 356 C ALA A 27 26.557 -13.124 39.795 1.00 0.00 C ATOM 357 O ALA A 27 27.592 -12.545 39.469 1.00 0.00 O ATOM 358 CB ALA A 27 25.813 -13.326 42.175 1.00 0.00 C ATOM 0 H ALA A 27 28.612 -13.934 40.933 1.00 0.00 H new ATOM 0 HA ALA A 27 25.963 -14.928 40.765 1.00 0.00 H new ATOM 0 HB1 ALA A 27 24.810 -13.034 41.863 1.00 0.00 H new ATOM 0 HB2 ALA A 27 25.745 -14.003 43.027 1.00 0.00 H new ATOM 0 HB3 ALA A 27 26.376 -12.438 42.461 1.00 0.00 H new ATOM 364 N GLY A 28 25.419 -13.010 39.116 1.00 0.00 N ATOM 365 CA GLY A 28 25.344 -12.177 37.930 1.00 0.00 C ATOM 366 C GLY A 28 23.937 -12.087 37.374 1.00 0.00 C ATOM 367 O GLY A 28 22.995 -12.621 37.958 1.00 0.00 O ATOM 0 H GLY A 28 24.549 -13.479 39.366 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.702 -11.176 38.170 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.009 -12.578 37.165 1.00 0.00 H new ATOM 371 N GLY A 29 23.793 -11.407 36.240 1.00 0.00 N ATOM 372 CA GLY A 29 22.487 -11.259 35.625 1.00 0.00 C ATOM 373 C GLY A 29 22.466 -10.179 34.561 1.00 0.00 C ATOM 374 O GLY A 29 22.851 -10.417 33.415 1.00 0.00 O ATOM 0 H GLY A 29 24.557 -10.956 35.737 1.00 0.00 H new ATOM 0 HA2 GLY A 29 22.188 -12.208 35.181 1.00 0.00 H new ATOM 0 HA3 GLY A 29 21.752 -11.022 36.394 1.00 0.00 H new ATOM 378 N THR A 30 22.013 -8.987 34.938 1.00 0.00 N ATOM 379 CA THR A 30 21.941 -7.868 34.007 1.00 0.00 C ATOM 380 C THR A 30 21.377 -8.308 32.661 1.00 0.00 C ATOM 381 O THR A 30 21.998 -8.097 31.619 1.00 0.00 O ATOM 382 CB THR A 30 23.326 -7.230 33.788 1.00 0.00 C ATOM 383 OG1 THR A 30 23.995 -7.068 35.043 1.00 0.00 O ATOM 384 CG2 THR A 30 23.196 -5.879 33.099 1.00 0.00 C ATOM 0 H THR A 30 21.691 -8.772 35.882 1.00 0.00 H new ATOM 0 HA THR A 30 21.275 -7.129 34.452 1.00 0.00 H new ATOM 0 HB THR A 30 23.910 -7.892 33.149 1.00 0.00 H new ATOM 0 HG1 THR A 30 24.875 -6.663 34.895 1.00 0.00 H new ATOM 0 HG21 THR A 30 24.186 -5.447 32.955 1.00 0.00 H new ATOM 0 HG22 THR A 30 22.712 -6.009 32.131 1.00 0.00 H new ATOM 0 HG23 THR A 30 22.596 -5.211 33.717 1.00 0.00 H new ATOM 392 N ARG A 31 20.198 -8.919 32.690 1.00 0.00 N ATOM 393 CA ARG A 31 19.551 -9.389 31.471 1.00 0.00 C ATOM 394 C ARG A 31 18.948 -8.224 30.691 1.00 0.00 C ATOM 395 O ARG A 31 17.751 -7.949 30.792 1.00 0.00 O ATOM 396 CB ARG A 31 18.462 -10.410 31.807 1.00 0.00 C ATOM 397 CG ARG A 31 19.007 -11.763 32.235 1.00 0.00 C ATOM 398 CD ARG A 31 19.235 -11.821 33.738 1.00 0.00 C ATOM 399 NE ARG A 31 19.394 -13.192 34.214 1.00 0.00 N ATOM 400 CZ ARG A 31 19.374 -13.531 35.498 1.00 0.00 C ATOM 401 NH1 ARG A 31 19.202 -12.603 36.430 1.00 0.00 N ATOM 402 NH2 ARG A 31 19.525 -14.801 35.854 1.00 0.00 N ATOM 0 H ARG A 31 19.671 -9.100 33.544 1.00 0.00 H new ATOM 0 HA ARG A 31 20.308 -9.867 30.849 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.836 -10.011 32.605 1.00 0.00 H new ATOM 0 HB3 ARG A 31 17.821 -10.545 30.936 1.00 0.00 H new ATOM 0 HG2 ARG A 31 18.309 -12.547 31.941 1.00 0.00 H new ATOM 0 HG3 ARG A 31 19.945 -11.960 31.716 1.00 0.00 H new ATOM 0 HD2 ARG A 31 20.124 -11.243 33.993 1.00 0.00 H new ATOM 0 HD3 ARG A 31 18.394 -11.354 34.251 1.00 0.00 H new ATOM 0 HE ARG A 31 19.528 -13.930 33.523 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.085 -11.626 36.161 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.187 -12.866 37.415 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.657 -15.518 35.141 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.509 -15.059 36.841 1.00 0.00 H new ATOM 416 N LEU A 32 19.783 -7.543 29.915 1.00 0.00 N ATOM 417 CA LEU A 32 19.333 -6.407 29.119 1.00 0.00 C ATOM 418 C LEU A 32 17.923 -6.640 28.586 1.00 0.00 C ATOM 419 O LEU A 32 17.493 -7.781 28.414 1.00 0.00 O ATOM 420 CB LEU A 32 20.296 -6.161 27.955 1.00 0.00 C ATOM 421 CG LEU A 32 21.627 -5.500 28.314 1.00 0.00 C ATOM 422 CD1 LEU A 32 22.601 -6.528 28.868 1.00 0.00 C ATOM 423 CD2 LEU A 32 22.220 -4.801 27.100 1.00 0.00 C ATOM 0 H LEU A 32 20.776 -7.758 29.820 1.00 0.00 H new ATOM 0 HA LEU A 32 19.318 -5.527 29.763 1.00 0.00 H new ATOM 0 HB2 LEU A 32 20.506 -7.117 27.475 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.791 -5.538 27.217 1.00 0.00 H new ATOM 0 HG LEU A 32 21.443 -4.752 29.085 1.00 0.00 H new ATOM 0 HD11 LEU A 32 23.543 -6.039 29.118 1.00 0.00 H new ATOM 0 HD12 LEU A 32 22.179 -6.983 29.764 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.780 -7.300 28.119 1.00 0.00 H new ATOM 0 HD21 LEU A 32 23.167 -4.336 27.374 1.00 0.00 H new ATOM 0 HD22 LEU A 32 22.390 -5.530 26.307 1.00 0.00 H new ATOM 0 HD23 LEU A 32 21.529 -4.035 26.747 1.00 0.00 H new ATOM 435 N LEU A 33 17.208 -5.551 28.325 1.00 0.00 N ATOM 436 CA LEU A 33 15.846 -5.636 27.809 1.00 0.00 C ATOM 437 C LEU A 33 15.784 -5.175 26.357 1.00 0.00 C ATOM 438 O LEU A 33 16.561 -4.319 25.934 1.00 0.00 O ATOM 439 CB LEU A 33 14.901 -4.791 28.666 1.00 0.00 C ATOM 440 CG LEU A 33 13.748 -4.114 27.925 1.00 0.00 C ATOM 441 CD1 LEU A 33 12.521 -4.020 28.818 1.00 0.00 C ATOM 442 CD2 LEU A 33 14.163 -2.733 27.439 1.00 0.00 C ATOM 0 H LEU A 33 17.548 -4.599 28.462 1.00 0.00 H new ATOM 0 HA LEU A 33 15.532 -6.679 27.853 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.482 -5.428 29.445 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.488 -4.020 29.166 1.00 0.00 H new ATOM 0 HG LEU A 33 13.494 -4.722 27.056 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.711 -3.535 28.273 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.210 -5.021 29.116 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.761 -3.436 29.706 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.330 -2.266 26.914 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.445 -2.116 28.293 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.012 -2.826 26.762 1.00 0.00 H new ATOM 454 N ARG A 34 14.853 -5.746 25.599 1.00 0.00 N ATOM 455 CA ARG A 34 14.689 -5.392 24.194 1.00 0.00 C ATOM 456 C ARG A 34 13.330 -4.743 23.952 1.00 0.00 C ATOM 457 O ARG A 34 12.339 -5.095 24.593 1.00 0.00 O ATOM 458 CB ARG A 34 14.837 -6.634 23.313 1.00 0.00 C ATOM 459 CG ARG A 34 13.798 -7.707 23.593 1.00 0.00 C ATOM 460 CD ARG A 34 14.065 -8.966 22.783 1.00 0.00 C ATOM 461 NE ARG A 34 14.959 -9.886 23.480 1.00 0.00 N ATOM 462 CZ ARG A 34 15.541 -10.929 22.898 1.00 0.00 C ATOM 463 NH1 ARG A 34 15.324 -11.181 21.615 1.00 0.00 N ATOM 464 NH2 ARG A 34 16.341 -11.720 23.600 1.00 0.00 N ATOM 0 H ARG A 34 14.201 -6.455 25.934 1.00 0.00 H new ATOM 0 HA ARG A 34 15.467 -4.674 23.933 1.00 0.00 H new ATOM 0 HB2 ARG A 34 14.767 -6.337 22.267 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.831 -7.056 23.459 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.801 -7.949 24.656 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.805 -7.324 23.356 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.121 -9.468 22.572 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.503 -8.693 21.823 1.00 0.00 H new ATOM 0 HE ARG A 34 15.147 -9.719 24.468 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.709 -10.574 21.073 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.772 -11.982 21.170 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.510 -11.528 24.587 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.787 -12.521 23.153 1.00 0.00 H new ATOM 478 N VAL A 35 13.290 -3.792 23.024 1.00 0.00 N ATOM 479 CA VAL A 35 12.053 -3.094 22.697 1.00 0.00 C ATOM 480 C VAL A 35 11.665 -3.317 21.240 1.00 0.00 C ATOM 481 O VAL A 35 10.532 -3.046 20.839 1.00 0.00 O ATOM 482 CB VAL A 35 12.176 -1.581 22.958 1.00 0.00 C ATOM 483 CG1 VAL A 35 13.311 -0.988 22.138 1.00 0.00 C ATOM 484 CG2 VAL A 35 10.862 -0.879 22.652 1.00 0.00 C ATOM 0 H VAL A 35 14.101 -3.487 22.485 1.00 0.00 H new ATOM 0 HA VAL A 35 11.278 -3.505 23.344 1.00 0.00 H new ATOM 0 HB VAL A 35 12.405 -1.429 24.013 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.382 0.082 22.336 1.00 0.00 H new ATOM 0 HG12 VAL A 35 14.249 -1.471 22.412 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.116 -1.149 21.078 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.967 0.189 22.842 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.600 -1.037 21.606 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.076 -1.285 23.288 1.00 0.00 H new ATOM 494 N HIS A 36 12.612 -3.813 20.450 1.00 0.00 N ATOM 495 CA HIS A 36 12.369 -4.073 19.035 1.00 0.00 C ATOM 496 C HIS A 36 12.339 -2.772 18.240 1.00 0.00 C ATOM 497 O HIS A 36 11.460 -2.563 17.404 1.00 0.00 O ATOM 498 CB HIS A 36 11.051 -4.826 18.853 1.00 0.00 C ATOM 499 CG HIS A 36 10.819 -5.887 19.885 1.00 0.00 C ATOM 500 ND1 HIS A 36 9.578 -6.153 20.424 1.00 0.00 N ATOM 501 CD2 HIS A 36 11.678 -6.750 20.476 1.00 0.00 C ATOM 502 CE1 HIS A 36 9.684 -7.134 21.303 1.00 0.00 C ATOM 503 NE2 HIS A 36 10.948 -7.514 21.353 1.00 0.00 N ATOM 0 H HIS A 36 13.554 -4.043 20.765 1.00 0.00 H new ATOM 0 HA HIS A 36 13.186 -4.689 18.659 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.227 -4.113 18.886 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.037 -5.284 17.864 1.00 0.00 H new ATOM 0 HD2 HIS A 36 12.740 -6.824 20.292 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.875 -7.554 21.882 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.321 -8.255 21.947 1.00 0.00 H new ATOM 512 N HIS A 37 13.305 -1.898 18.508 1.00 0.00 N ATOM 513 CA HIS A 37 13.389 -0.616 17.817 1.00 0.00 C ATOM 514 C HIS A 37 13.530 -0.818 16.311 1.00 0.00 C ATOM 515 O HIS A 37 14.362 -1.603 15.856 1.00 0.00 O ATOM 516 CB HIS A 37 14.572 0.196 18.347 1.00 0.00 C ATOM 517 CG HIS A 37 14.239 1.022 19.551 1.00 0.00 C ATOM 518 ND1 HIS A 37 13.208 1.938 19.574 1.00 0.00 N ATOM 519 CD2 HIS A 37 14.807 1.065 20.779 1.00 0.00 C ATOM 520 CE1 HIS A 37 13.158 2.510 20.764 1.00 0.00 C ATOM 521 NE2 HIS A 37 14.117 1.997 21.514 1.00 0.00 N ATOM 0 H HIS A 37 14.040 -2.054 19.198 1.00 0.00 H new ATOM 0 HA HIS A 37 12.466 -0.068 18.007 1.00 0.00 H new ATOM 0 HB2 HIS A 37 15.386 -0.484 18.597 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.936 0.852 17.556 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.647 0.476 21.117 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.453 3.268 21.071 1.00 0.00 H new ATOM 0 HE2 HIS A 37 14.313 2.252 22.482 1.00 0.00 H new ATOM 530 N GLU A 38 12.711 -0.106 15.544 1.00 0.00 N ATOM 531 CA GLU A 38 12.743 -0.210 14.090 1.00 0.00 C ATOM 532 C GLU A 38 11.804 0.809 13.451 1.00 0.00 C ATOM 533 O GLU A 38 10.766 1.153 14.016 1.00 0.00 O ATOM 534 CB GLU A 38 12.358 -1.623 13.648 1.00 0.00 C ATOM 535 CG GLU A 38 10.981 -2.055 14.124 1.00 0.00 C ATOM 536 CD GLU A 38 10.395 -3.168 13.278 1.00 0.00 C ATOM 537 OE1 GLU A 38 10.987 -4.268 13.251 1.00 0.00 O ATOM 538 OE2 GLU A 38 9.344 -2.941 12.643 1.00 0.00 O ATOM 0 H GLU A 38 12.017 0.549 15.905 1.00 0.00 H new ATOM 0 HA GLU A 38 13.760 0.001 13.759 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.390 -1.676 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.101 -2.327 14.023 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.046 -2.387 15.160 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.309 -1.197 14.106 1.00 0.00 H new ATOM 545 N SER A 39 12.176 1.287 12.268 1.00 0.00 N ATOM 546 CA SER A 39 11.370 2.270 11.552 1.00 0.00 C ATOM 547 C SER A 39 11.647 2.212 10.053 1.00 0.00 C ATOM 548 O SER A 39 12.638 1.627 9.616 1.00 0.00 O ATOM 549 CB SER A 39 11.654 3.677 12.082 1.00 0.00 C ATOM 550 OG SER A 39 11.503 3.732 13.490 1.00 0.00 O ATOM 0 H SER A 39 13.030 1.010 11.785 1.00 0.00 H new ATOM 0 HA SER A 39 10.319 2.033 11.718 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.667 3.974 11.810 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.976 4.390 11.612 1.00 0.00 H new ATOM 0 HG SER A 39 11.691 4.641 13.804 1.00 0.00 H new ATOM 556 N ASP A 40 10.765 2.824 9.271 1.00 0.00 N ATOM 557 CA ASP A 40 10.914 2.845 7.821 1.00 0.00 C ATOM 558 C ASP A 40 12.020 3.808 7.402 1.00 0.00 C ATOM 559 O ASP A 40 11.766 4.981 7.124 1.00 0.00 O ATOM 560 CB ASP A 40 9.595 3.243 7.157 1.00 0.00 C ATOM 561 CG ASP A 40 9.518 2.799 5.709 1.00 0.00 C ATOM 562 OD1 ASP A 40 9.984 1.680 5.406 1.00 0.00 O ATOM 563 OD2 ASP A 40 8.991 3.569 4.880 1.00 0.00 O ATOM 0 H ASP A 40 9.939 3.312 9.617 1.00 0.00 H new ATOM 0 HA ASP A 40 11.188 1.842 7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.766 2.806 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.478 4.325 7.209 1.00 0.00 H new ATOM 568 N THR A 41 13.251 3.306 7.358 1.00 0.00 N ATOM 569 CA THR A 41 14.396 4.122 6.976 1.00 0.00 C ATOM 570 C THR A 41 14.377 4.432 5.483 1.00 0.00 C ATOM 571 O THR A 41 14.915 3.675 4.676 1.00 0.00 O ATOM 572 CB THR A 41 15.724 3.425 7.327 1.00 0.00 C ATOM 573 OG1 THR A 41 15.760 3.113 8.724 1.00 0.00 O ATOM 574 CG2 THR A 41 16.910 4.309 6.969 1.00 0.00 C ATOM 0 H THR A 41 13.480 2.338 7.582 1.00 0.00 H new ATOM 0 HA THR A 41 14.323 5.053 7.538 1.00 0.00 H new ATOM 0 HB THR A 41 15.789 2.504 6.748 1.00 0.00 H new ATOM 0 HG1 THR A 41 16.607 2.669 8.938 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.837 3.796 7.226 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.897 4.520 5.900 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.847 5.245 7.525 1.00 0.00 H new ATOM 582 N GLU A 42 13.753 5.549 5.123 1.00 0.00 N ATOM 583 CA GLU A 42 13.664 5.957 3.726 1.00 0.00 C ATOM 584 C GLU A 42 13.988 7.441 3.571 1.00 0.00 C ATOM 585 O GLU A 42 13.090 8.279 3.508 1.00 0.00 O ATOM 586 CB GLU A 42 12.266 5.669 3.175 1.00 0.00 C ATOM 587 CG GLU A 42 11.998 4.193 2.938 1.00 0.00 C ATOM 588 CD GLU A 42 10.652 3.942 2.286 1.00 0.00 C ATOM 589 OE1 GLU A 42 10.171 4.832 1.555 1.00 0.00 O ATOM 590 OE2 GLU A 42 10.079 2.854 2.508 1.00 0.00 O ATOM 0 H GLU A 42 13.302 6.187 5.779 1.00 0.00 H new ATOM 0 HA GLU A 42 14.396 5.381 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.523 6.057 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.136 6.209 2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.786 3.781 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.041 3.662 3.889 1.00 0.00 H new ATOM 597 N GLU A 43 15.278 7.755 3.512 1.00 0.00 N ATOM 598 CA GLU A 43 15.721 9.137 3.366 1.00 0.00 C ATOM 599 C GLU A 43 16.380 9.357 2.007 1.00 0.00 C ATOM 600 O GLU A 43 16.113 10.349 1.329 1.00 0.00 O ATOM 601 CB GLU A 43 16.698 9.504 4.484 1.00 0.00 C ATOM 602 CG GLU A 43 16.033 9.692 5.837 1.00 0.00 C ATOM 603 CD GLU A 43 15.607 8.380 6.466 1.00 0.00 C ATOM 604 OE1 GLU A 43 16.408 7.422 6.437 1.00 0.00 O ATOM 605 OE2 GLU A 43 14.474 8.310 6.986 1.00 0.00 O ATOM 0 H GLU A 43 16.034 7.072 3.563 1.00 0.00 H new ATOM 0 HA GLU A 43 14.844 9.781 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.454 8.723 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.218 10.423 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.722 10.205 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.161 10.336 5.722 1.00 0.00 H new ATOM 612 N ARG A 44 17.242 8.424 1.616 1.00 0.00 N ATOM 613 CA ARG A 44 17.941 8.516 0.340 1.00 0.00 C ATOM 614 C ARG A 44 17.052 9.156 -0.722 1.00 0.00 C ATOM 615 O ARG A 44 17.492 10.025 -1.473 1.00 0.00 O ATOM 616 CB ARG A 44 18.387 7.128 -0.122 1.00 0.00 C ATOM 617 CG ARG A 44 17.345 6.045 0.108 1.00 0.00 C ATOM 618 CD ARG A 44 17.993 4.691 0.351 1.00 0.00 C ATOM 619 NE ARG A 44 18.866 4.705 1.521 1.00 0.00 N ATOM 620 CZ ARG A 44 19.198 3.614 2.203 1.00 0.00 C ATOM 621 NH1 ARG A 44 18.732 2.430 1.834 1.00 0.00 N ATOM 622 NH2 ARG A 44 19.998 3.708 3.258 1.00 0.00 N ATOM 0 H ARG A 44 17.473 7.596 2.165 1.00 0.00 H new ATOM 0 HA ARG A 44 18.820 9.145 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.628 7.168 -1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 44 19.303 6.857 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.725 6.311 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 44 16.685 5.984 -0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 44 17.218 3.937 0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 44 18.569 4.402 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 44 19.242 5.601 1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.116 2.354 1.024 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.989 1.594 2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 44 20.358 4.618 3.545 1.00 0.00 H new ATOM 0 HH22 ARG A 44 20.253 2.870 3.781 1.00 0.00 H new ATOM 636 N GLY A 45 15.797 8.720 -0.778 1.00 0.00 N ATOM 637 CA GLY A 45 14.866 9.260 -1.751 1.00 0.00 C ATOM 638 C GLY A 45 13.985 10.347 -1.168 1.00 0.00 C ATOM 639 O GLY A 45 13.943 11.465 -1.683 1.00 0.00 O ATOM 0 H GLY A 45 15.409 8.002 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.422 9.662 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.239 8.455 -2.135 1.00 0.00 H new ATOM 643 N PHE A 46 13.276 10.019 -0.093 1.00 0.00 N ATOM 644 CA PHE A 46 12.389 10.975 0.559 1.00 0.00 C ATOM 645 C PHE A 46 12.961 12.388 0.482 1.00 0.00 C ATOM 646 O PHE A 46 12.403 13.261 -0.184 1.00 0.00 O ATOM 647 CB PHE A 46 12.165 10.582 2.020 1.00 0.00 C ATOM 648 CG PHE A 46 11.720 11.725 2.887 1.00 0.00 C ATOM 649 CD1 PHE A 46 10.442 12.246 2.767 1.00 0.00 C ATOM 650 CD2 PHE A 46 12.580 12.278 3.823 1.00 0.00 C ATOM 651 CE1 PHE A 46 10.029 13.298 3.564 1.00 0.00 C ATOM 652 CE2 PHE A 46 12.172 13.329 4.622 1.00 0.00 C ATOM 653 CZ PHE A 46 10.896 13.840 4.492 1.00 0.00 C ATOM 0 H PHE A 46 13.299 9.098 0.345 1.00 0.00 H new ATOM 0 HA PHE A 46 11.433 10.960 0.036 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.417 9.790 2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 46 13.090 10.170 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.760 11.826 2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.580 11.883 3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.030 13.695 3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.851 13.751 5.348 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.577 14.662 5.115 1.00 0.00 H new ATOM 663 N LEU A 47 14.077 12.606 1.169 1.00 0.00 N ATOM 664 CA LEU A 47 14.725 13.912 1.181 1.00 0.00 C ATOM 665 C LEU A 47 14.967 14.412 -0.240 1.00 0.00 C ATOM 666 O LEU A 47 14.491 15.481 -0.621 1.00 0.00 O ATOM 667 CB LEU A 47 16.051 13.838 1.940 1.00 0.00 C ATOM 668 CG LEU A 47 15.980 14.115 3.443 1.00 0.00 C ATOM 669 CD1 LEU A 47 17.249 13.641 4.133 1.00 0.00 C ATOM 670 CD2 LEU A 47 15.752 15.597 3.702 1.00 0.00 C ATOM 0 H LEU A 47 14.552 11.895 1.725 1.00 0.00 H new ATOM 0 HA LEU A 47 14.063 14.615 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.476 12.845 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.744 14.550 1.492 1.00 0.00 H new ATOM 0 HG LEU A 47 15.137 13.561 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.181 13.846 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 47 17.370 12.569 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 47 18.108 14.167 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.704 15.775 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.574 16.172 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.814 15.907 3.241 1.00 0.00 H new ATOM 682 N GLU A 48 15.709 13.631 -1.019 1.00 0.00 N ATOM 683 CA GLU A 48 16.012 13.995 -2.398 1.00 0.00 C ATOM 684 C GLU A 48 14.788 14.593 -3.085 1.00 0.00 C ATOM 685 O GLU A 48 14.824 15.723 -3.572 1.00 0.00 O ATOM 686 CB GLU A 48 16.501 12.772 -3.176 1.00 0.00 C ATOM 687 CG GLU A 48 17.241 13.120 -4.456 1.00 0.00 C ATOM 688 CD GLU A 48 18.268 12.073 -4.840 1.00 0.00 C ATOM 689 OE1 GLU A 48 19.365 12.071 -4.245 1.00 0.00 O ATOM 690 OE2 GLU A 48 17.973 11.254 -5.736 1.00 0.00 O ATOM 0 H GLU A 48 16.111 12.743 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 48 16.801 14.746 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.158 12.183 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.646 12.142 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.522 13.233 -5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.737 14.083 -4.334 1.00 0.00 H new ATOM 697 N LYS A 49 13.703 13.826 -3.120 1.00 0.00 N ATOM 698 CA LYS A 49 12.466 14.278 -3.745 1.00 0.00 C ATOM 699 C LYS A 49 11.971 15.569 -3.102 1.00 0.00 C ATOM 700 O LYS A 49 11.537 16.491 -3.792 1.00 0.00 O ATOM 701 CB LYS A 49 11.390 13.195 -3.636 1.00 0.00 C ATOM 702 CG LYS A 49 10.172 13.458 -4.504 1.00 0.00 C ATOM 703 CD LYS A 49 9.353 12.196 -4.712 1.00 0.00 C ATOM 704 CE LYS A 49 7.937 12.518 -5.165 1.00 0.00 C ATOM 705 NZ LYS A 49 7.893 12.931 -6.595 1.00 0.00 N ATOM 0 H LYS A 49 13.656 12.888 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 49 12.671 14.473 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.824 12.235 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.074 13.112 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.551 14.223 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.490 13.850 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.839 11.564 -5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.318 11.626 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.302 11.644 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.529 13.316 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.903 13.043 -6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.394 13.835 -6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.351 12.204 -7.181 1.00 0.00 H new ATOM 719 N ALA A 50 12.039 15.628 -1.776 1.00 0.00 N ATOM 720 CA ALA A 50 11.601 16.807 -1.040 1.00 0.00 C ATOM 721 C ALA A 50 12.352 18.052 -1.500 1.00 0.00 C ATOM 722 O ALA A 50 11.749 19.011 -1.980 1.00 0.00 O ATOM 723 CB ALA A 50 11.789 16.597 0.455 1.00 0.00 C ATOM 0 H ALA A 50 12.393 14.872 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 50 10.541 16.958 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.458 17.486 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.202 15.738 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.843 16.417 0.667 1.00 0.00 H new ATOM 729 N ALA A 51 13.672 18.030 -1.349 1.00 0.00 N ATOM 730 CA ALA A 51 14.506 19.156 -1.750 1.00 0.00 C ATOM 731 C ALA A 51 14.192 19.591 -3.177 1.00 0.00 C ATOM 732 O ALA A 51 13.787 20.729 -3.416 1.00 0.00 O ATOM 733 CB ALA A 51 15.979 18.797 -1.618 1.00 0.00 C ATOM 0 H ALA A 51 14.187 17.244 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 51 14.287 19.992 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.589 19.648 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.200 18.543 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.204 17.943 -2.257 1.00 0.00 H new ATOM 739 N VAL A 52 14.381 18.678 -4.125 1.00 0.00 N ATOM 740 CA VAL A 52 14.117 18.967 -5.529 1.00 0.00 C ATOM 741 C VAL A 52 12.813 19.739 -5.696 1.00 0.00 C ATOM 742 O VAL A 52 12.782 20.799 -6.321 1.00 0.00 O ATOM 743 CB VAL A 52 14.046 17.675 -6.364 1.00 0.00 C ATOM 744 CG1 VAL A 52 13.725 17.994 -7.816 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.350 16.899 -6.256 1.00 0.00 C ATOM 0 H VAL A 52 14.716 17.732 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 52 14.946 19.578 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 52 13.244 17.051 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.679 17.069 -8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.763 18.504 -7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.502 18.638 -8.227 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.282 15.989 -6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.171 17.514 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.532 16.637 -5.214 1.00 0.00 H new ATOM 755 N LYS A 53 11.737 19.201 -5.131 1.00 0.00 N ATOM 756 CA LYS A 53 10.429 19.840 -5.215 1.00 0.00 C ATOM 757 C LYS A 53 10.456 21.223 -4.572 1.00 0.00 C ATOM 758 O LYS A 53 10.004 22.203 -5.164 1.00 0.00 O ATOM 759 CB LYS A 53 9.370 18.970 -4.533 1.00 0.00 C ATOM 760 CG LYS A 53 8.708 17.973 -5.469 1.00 0.00 C ATOM 761 CD LYS A 53 7.618 18.629 -6.300 1.00 0.00 C ATOM 762 CE LYS A 53 6.554 17.624 -6.716 1.00 0.00 C ATOM 763 NZ LYS A 53 5.633 17.295 -5.593 1.00 0.00 N ATOM 0 H LYS A 53 11.745 18.324 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 53 10.175 19.954 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.833 18.429 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.604 19.615 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.459 17.538 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.282 17.155 -4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.156 19.433 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.059 19.082 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.980 18.027 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.034 16.712 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.271 16.327 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.147 17.363 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.837 17.964 -5.589 1.00 0.00 H new ATOM 777 N LYS A 54 10.991 21.295 -3.358 1.00 0.00 N ATOM 778 CA LYS A 54 11.080 22.558 -2.635 1.00 0.00 C ATOM 779 C LYS A 54 11.645 23.658 -3.528 1.00 0.00 C ATOM 780 O LYS A 54 11.007 24.689 -3.737 1.00 0.00 O ATOM 781 CB LYS A 54 11.957 22.397 -1.391 1.00 0.00 C ATOM 782 CG LYS A 54 11.198 21.904 -0.171 1.00 0.00 C ATOM 783 CD LYS A 54 12.033 22.026 1.092 1.00 0.00 C ATOM 784 CE LYS A 54 11.973 23.434 1.665 1.00 0.00 C ATOM 785 NZ LYS A 54 12.267 23.452 3.125 1.00 0.00 N ATOM 0 H LYS A 54 11.370 20.493 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 54 10.074 22.843 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.764 21.698 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.421 23.355 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.278 22.478 -0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.908 20.863 -0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.676 21.314 1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.068 21.765 0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.688 24.069 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.984 23.856 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.216 24.429 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.569 22.866 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.221 23.073 3.292 1.00 0.00 H new ATOM 799 N MET A 55 12.844 23.429 -4.055 1.00 0.00 N ATOM 800 CA MET A 55 13.492 24.400 -4.928 1.00 0.00 C ATOM 801 C MET A 55 12.562 24.816 -6.064 1.00 0.00 C ATOM 802 O MET A 55 12.419 26.002 -6.358 1.00 0.00 O ATOM 803 CB MET A 55 14.786 23.819 -5.501 1.00 0.00 C ATOM 804 CG MET A 55 15.777 23.377 -4.436 1.00 0.00 C ATOM 805 SD MET A 55 16.888 24.703 -3.927 1.00 0.00 S ATOM 806 CE MET A 55 18.314 24.363 -4.955 1.00 0.00 C ATOM 0 H MET A 55 13.386 22.580 -3.892 1.00 0.00 H new ATOM 0 HA MET A 55 13.730 25.283 -4.334 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.542 22.967 -6.135 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.259 24.566 -6.138 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.231 23.012 -3.566 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.365 22.542 -4.817 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.133 24.001 -4.333 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.057 23.604 -5.694 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.622 25.276 -5.464 1.00 0.00 H new ATOM 816 N ALA A 56 11.932 23.832 -6.697 1.00 0.00 N ATOM 817 CA ALA A 56 11.015 24.097 -7.799 1.00 0.00 C ATOM 818 C ALA A 56 9.925 25.079 -7.382 1.00 0.00 C ATOM 819 O ALA A 56 9.765 26.139 -7.988 1.00 0.00 O ATOM 820 CB ALA A 56 10.396 22.798 -8.294 1.00 0.00 C ATOM 0 H ALA A 56 12.040 22.844 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 56 11.584 24.549 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.713 23.011 -9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.183 22.128 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.847 22.323 -7.481 1.00 0.00 H new ATOM 826 N LYS A 57 9.177 24.720 -6.344 1.00 0.00 N ATOM 827 CA LYS A 57 8.102 25.569 -5.845 1.00 0.00 C ATOM 828 C LYS A 57 8.572 27.013 -5.700 1.00 0.00 C ATOM 829 O LYS A 57 7.920 27.939 -6.180 1.00 0.00 O ATOM 830 CB LYS A 57 7.597 25.048 -4.497 1.00 0.00 C ATOM 831 CG LYS A 57 6.837 23.737 -4.598 1.00 0.00 C ATOM 832 CD LYS A 57 6.151 23.388 -3.288 1.00 0.00 C ATOM 833 CE LYS A 57 7.084 22.631 -2.355 1.00 0.00 C ATOM 834 NZ LYS A 57 7.296 21.227 -2.802 1.00 0.00 N ATOM 0 H LYS A 57 9.296 23.846 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 57 7.286 25.542 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.446 24.915 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.950 25.800 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.093 23.807 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.524 22.937 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.809 24.301 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.266 22.784 -3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.044 23.145 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.669 22.632 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.271 20.938 -2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.631 20.600 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.134 21.161 -3.827 1.00 0.00 H new ATOM 848 N ALA A 58 9.709 27.197 -5.036 1.00 0.00 N ATOM 849 CA ALA A 58 10.267 28.527 -4.832 1.00 0.00 C ATOM 850 C ALA A 58 10.428 29.265 -6.157 1.00 0.00 C ATOM 851 O ALA A 58 10.105 30.448 -6.262 1.00 0.00 O ATOM 852 CB ALA A 58 11.605 28.434 -4.112 1.00 0.00 C ATOM 0 H ALA A 58 10.261 26.441 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 58 9.572 29.094 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.010 29.435 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.464 27.955 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.300 27.845 -4.710 1.00 0.00 H new ATOM 858 N ILE A 59 10.930 28.559 -7.164 1.00 0.00 N ATOM 859 CA ILE A 59 11.132 29.147 -8.482 1.00 0.00 C ATOM 860 C ILE A 59 9.815 29.635 -9.075 1.00 0.00 C ATOM 861 O ILE A 59 9.749 30.714 -9.664 1.00 0.00 O ATOM 862 CB ILE A 59 11.779 28.143 -9.454 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.140 27.689 -8.922 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.923 28.761 -10.837 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.677 26.454 -9.611 1.00 0.00 C ATOM 0 H ILE A 59 11.204 27.579 -7.092 1.00 0.00 H new ATOM 0 HA ILE A 59 11.804 29.995 -8.349 1.00 0.00 H new ATOM 0 HB ILE A 59 11.132 27.269 -9.534 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.857 28.502 -9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.056 27.491 -7.853 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.382 28.039 -11.512 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.939 29.038 -11.216 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.551 29.650 -10.775 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.644 26.190 -9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.980 25.627 -9.471 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.794 26.653 -10.676 1.00 0.00 H new ATOM 877 N MET A 60 8.767 28.834 -8.914 1.00 0.00 N ATOM 878 CA MET A 60 7.449 29.185 -9.431 1.00 0.00 C ATOM 879 C MET A 60 7.220 30.691 -9.354 1.00 0.00 C ATOM 880 O MET A 60 6.986 31.345 -10.370 1.00 0.00 O ATOM 881 CB MET A 60 6.359 28.451 -8.649 1.00 0.00 C ATOM 882 CG MET A 60 6.445 26.937 -8.761 1.00 0.00 C ATOM 883 SD MET A 60 5.056 26.102 -7.970 1.00 0.00 S ATOM 884 CE MET A 60 4.654 24.870 -9.206 1.00 0.00 C ATOM 0 H MET A 60 8.805 27.937 -8.430 1.00 0.00 H new ATOM 0 HA MET A 60 7.403 28.881 -10.477 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.424 28.734 -7.598 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.383 28.779 -9.007 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.481 26.656 -9.814 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.375 26.595 -8.308 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.271 23.975 -8.716 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.896 25.266 -9.882 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.550 24.618 -9.773 1.00 0.00 H new ATOM 894 N ALA A 61 7.288 31.235 -8.143 1.00 0.00 N ATOM 895 CA ALA A 61 7.089 32.664 -7.935 1.00 0.00 C ATOM 896 C ALA A 61 8.330 33.455 -8.336 1.00 0.00 C ATOM 897 O ALA A 61 8.227 34.545 -8.900 1.00 0.00 O ATOM 898 CB ALA A 61 6.731 32.941 -6.483 1.00 0.00 C ATOM 0 H ALA A 61 7.479 30.707 -7.291 1.00 0.00 H new ATOM 0 HA ALA A 61 6.263 32.987 -8.569 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.585 34.012 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.812 32.413 -6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.539 32.597 -5.837 1.00 0.00 H new ATOM 904 N ASP A 62 9.500 32.900 -8.041 1.00 0.00 N ATOM 905 CA ASP A 62 10.761 33.554 -8.372 1.00 0.00 C ATOM 906 C ASP A 62 11.443 32.858 -9.545 1.00 0.00 C ATOM 907 O ASP A 62 12.276 31.968 -9.371 1.00 0.00 O ATOM 908 CB ASP A 62 11.690 33.561 -7.157 1.00 0.00 C ATOM 909 CG ASP A 62 10.987 34.016 -5.893 1.00 0.00 C ATOM 910 OD1 ASP A 62 10.195 34.978 -5.968 1.00 0.00 O ATOM 911 OD2 ASP A 62 11.228 33.409 -4.828 1.00 0.00 O ATOM 0 H ASP A 62 9.602 31.999 -7.574 1.00 0.00 H new ATOM 0 HA ASP A 62 10.544 34.583 -8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.092 32.559 -7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.537 34.218 -7.355 1.00 0.00 H new ATOM 916 N PRO A 63 11.082 33.270 -10.769 1.00 0.00 N ATOM 917 CA PRO A 63 11.647 32.699 -11.995 1.00 0.00 C ATOM 918 C PRO A 63 13.111 33.079 -12.192 1.00 0.00 C ATOM 919 O PRO A 63 13.829 32.444 -12.962 1.00 0.00 O ATOM 920 CB PRO A 63 10.783 33.308 -13.102 1.00 0.00 C ATOM 921 CG PRO A 63 10.268 34.581 -12.523 1.00 0.00 C ATOM 922 CD PRO A 63 10.095 34.326 -11.051 1.00 0.00 C ATOM 0 HA PRO A 63 11.637 31.609 -11.978 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.367 33.491 -14.004 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.967 32.641 -13.380 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.966 35.400 -12.698 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.322 34.865 -12.984 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.287 35.223 -10.463 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.081 34.002 -10.816 1.00 0.00 H new ATOM 930 N ASN A 64 13.546 34.121 -11.490 1.00 0.00 N ATOM 931 CA ASN A 64 14.924 34.586 -11.587 1.00 0.00 C ATOM 932 C ASN A 64 15.877 33.614 -10.897 1.00 0.00 C ATOM 933 O ASN A 64 16.984 33.367 -11.376 1.00 0.00 O ATOM 934 CB ASN A 64 15.060 35.978 -10.967 1.00 0.00 C ATOM 935 CG ASN A 64 13.918 36.898 -11.354 1.00 0.00 C ATOM 936 OD1 ASN A 64 13.763 37.254 -12.522 1.00 0.00 O ATOM 937 ND2 ASN A 64 13.112 37.286 -10.373 1.00 0.00 N ATOM 0 H ASN A 64 12.964 34.659 -10.848 1.00 0.00 H new ATOM 0 HA ASN A 64 15.189 34.639 -12.643 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.098 35.887 -9.881 1.00 0.00 H new ATOM 0 HB3 ASN A 64 16.004 36.423 -11.283 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.326 37.904 -10.573 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.279 36.966 -9.419 1.00 0.00 H new ATOM 944 N LYS A 65 15.438 33.065 -9.770 1.00 0.00 N ATOM 945 CA LYS A 65 16.249 32.118 -9.013 1.00 0.00 C ATOM 946 C LYS A 65 16.561 30.880 -9.848 1.00 0.00 C ATOM 947 O LYS A 65 17.647 30.311 -9.750 1.00 0.00 O ATOM 948 CB LYS A 65 15.527 31.711 -7.727 1.00 0.00 C ATOM 949 CG LYS A 65 15.796 32.643 -6.558 1.00 0.00 C ATOM 950 CD LYS A 65 17.202 32.462 -6.012 1.00 0.00 C ATOM 951 CE LYS A 65 17.246 31.401 -4.924 1.00 0.00 C ATOM 952 NZ LYS A 65 17.028 30.034 -5.473 1.00 0.00 N ATOM 0 H LYS A 65 14.524 33.259 -9.360 1.00 0.00 H new ATOM 0 HA LYS A 65 17.189 32.607 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.454 31.680 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.832 30.701 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.659 33.676 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.070 32.454 -5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.875 32.181 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.563 33.410 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.211 31.440 -4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.484 31.617 -4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.421 29.330 -4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.009 29.866 -5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.502 29.950 -6.395 1.00 0.00 H new ATOM 966 N ALA A 66 15.600 30.469 -10.670 1.00 0.00 N ATOM 967 CA ALA A 66 15.774 29.301 -11.524 1.00 0.00 C ATOM 968 C ALA A 66 17.223 29.164 -11.978 1.00 0.00 C ATOM 969 O ALA A 66 17.847 28.119 -11.788 1.00 0.00 O ATOM 970 CB ALA A 66 14.847 29.384 -12.728 1.00 0.00 C ATOM 0 H ALA A 66 14.694 30.928 -10.762 1.00 0.00 H new ATOM 0 HA ALA A 66 15.518 28.415 -10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.988 28.505 -13.357 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.812 29.425 -12.388 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.076 30.282 -13.302 1.00 0.00 H new ATOM 976 N ASP A 67 17.752 30.223 -12.580 1.00 0.00 N ATOM 977 CA ASP A 67 19.129 30.221 -13.061 1.00 0.00 C ATOM 978 C ASP A 67 20.070 29.636 -12.013 1.00 0.00 C ATOM 979 O ASP A 67 20.796 28.679 -12.282 1.00 0.00 O ATOM 980 CB ASP A 67 19.568 31.641 -13.423 1.00 0.00 C ATOM 981 CG ASP A 67 19.010 32.096 -14.757 1.00 0.00 C ATOM 982 OD1 ASP A 67 19.015 31.289 -15.710 1.00 0.00 O ATOM 983 OD2 ASP A 67 18.568 33.261 -14.849 1.00 0.00 O ATOM 0 H ASP A 67 17.248 31.094 -12.747 1.00 0.00 H new ATOM 0 HA ASP A 67 19.175 29.597 -13.953 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.243 32.329 -12.643 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.657 31.685 -13.454 1.00 0.00 H new ATOM 988 N GLU A 68 20.053 30.219 -10.818 1.00 0.00 N ATOM 989 CA GLU A 68 20.907 29.756 -9.731 1.00 0.00 C ATOM 990 C GLU A 68 20.617 28.296 -9.395 1.00 0.00 C ATOM 991 O GLU A 68 21.522 27.461 -9.371 1.00 0.00 O ATOM 992 CB GLU A 68 20.705 30.626 -8.488 1.00 0.00 C ATOM 993 CG GLU A 68 21.404 30.090 -7.250 1.00 0.00 C ATOM 994 CD GLU A 68 21.715 31.177 -6.240 1.00 0.00 C ATOM 995 OE1 GLU A 68 21.023 32.217 -6.253 1.00 0.00 O ATOM 996 OE2 GLU A 68 22.651 30.988 -5.435 1.00 0.00 O ATOM 0 H GLU A 68 19.458 31.012 -10.579 1.00 0.00 H new ATOM 0 HA GLU A 68 21.944 29.837 -10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 68 21.071 31.631 -8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.638 30.711 -8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.775 29.333 -6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 68 22.330 29.597 -7.545 1.00 0.00 H new ATOM 1003 N VAL A 69 19.348 27.995 -9.136 1.00 0.00 N ATOM 1004 CA VAL A 69 18.938 26.636 -8.803 1.00 0.00 C ATOM 1005 C VAL A 69 19.496 25.632 -9.805 1.00 0.00 C ATOM 1006 O VAL A 69 20.268 24.743 -9.444 1.00 0.00 O ATOM 1007 CB VAL A 69 17.404 26.507 -8.763 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.994 25.051 -8.606 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.827 27.356 -7.640 1.00 0.00 C ATOM 0 H VAL A 69 18.587 28.674 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 69 19.340 26.418 -7.813 1.00 0.00 H new ATOM 0 HB VAL A 69 17.002 26.873 -9.708 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.907 24.980 -8.580 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.375 24.473 -9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.406 24.655 -7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.742 27.253 -7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 69 17.235 27.023 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 69 17.090 28.401 -7.802 1.00 0.00 H new ATOM 1019 N TYR A 70 19.100 25.779 -11.064 1.00 0.00 N ATOM 1020 CA TYR A 70 19.558 24.883 -12.119 1.00 0.00 C ATOM 1021 C TYR A 70 21.001 24.450 -11.877 1.00 0.00 C ATOM 1022 O TYR A 70 21.332 23.268 -11.971 1.00 0.00 O ATOM 1023 CB TYR A 70 19.441 25.565 -13.483 1.00 0.00 C ATOM 1024 CG TYR A 70 18.013 25.796 -13.923 1.00 0.00 C ATOM 1025 CD1 TYR A 70 17.045 24.814 -13.752 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.632 26.997 -14.510 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.739 25.021 -14.153 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.328 27.213 -14.913 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.386 26.222 -14.732 1.00 0.00 C ATOM 1030 OH TYR A 70 14.086 26.433 -15.133 1.00 0.00 O ATOM 0 H TYR A 70 18.463 26.510 -11.379 1.00 0.00 H new ATOM 0 HA TYR A 70 18.924 23.996 -12.108 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.961 26.522 -13.447 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.948 24.955 -14.230 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.318 23.873 -13.298 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.368 27.775 -14.654 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.999 24.247 -14.014 1.00 0.00 H new ATOM 0 HE2 TYR A 70 16.048 28.152 -15.367 1.00 0.00 H new ATOM 0 HH TYR A 70 13.628 25.572 -15.224 1.00 0.00 H new ATOM 1040 N LYS A 71 21.857 25.417 -11.564 1.00 0.00 N ATOM 1041 CA LYS A 71 23.265 25.139 -11.305 1.00 0.00 C ATOM 1042 C LYS A 71 23.426 24.218 -10.100 1.00 0.00 C ATOM 1043 O LYS A 71 24.208 23.268 -10.131 1.00 0.00 O ATOM 1044 CB LYS A 71 24.029 26.444 -11.069 1.00 0.00 C ATOM 1045 CG LYS A 71 24.605 27.050 -12.337 1.00 0.00 C ATOM 1046 CD LYS A 71 23.624 28.007 -12.993 1.00 0.00 C ATOM 1047 CE LYS A 71 22.730 27.291 -13.994 1.00 0.00 C ATOM 1048 NZ LYS A 71 21.882 28.244 -14.761 1.00 0.00 N ATOM 0 H LYS A 71 21.600 26.401 -11.484 1.00 0.00 H new ATOM 0 HA LYS A 71 23.677 24.637 -12.181 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.360 27.167 -10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.840 26.258 -10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.529 27.579 -12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 71 24.862 26.255 -13.037 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.009 28.480 -12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 71 24.172 28.802 -13.498 1.00 0.00 H new ATOM 0 HE2 LYS A 71 23.346 26.716 -14.685 1.00 0.00 H new ATOM 0 HE3 LYS A 71 22.093 26.580 -13.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.376 27.732 -15.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 21.194 28.689 -14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.483 28.978 -15.187 1.00 0.00 H new ATOM 1062 N LYS A 72 22.679 24.504 -9.039 1.00 0.00 N ATOM 1063 CA LYS A 72 22.736 23.701 -7.823 1.00 0.00 C ATOM 1064 C LYS A 72 22.456 22.233 -8.128 1.00 0.00 C ATOM 1065 O LYS A 72 23.277 21.362 -7.842 1.00 0.00 O ATOM 1066 CB LYS A 72 21.728 24.221 -6.796 1.00 0.00 C ATOM 1067 CG LYS A 72 22.277 25.329 -5.912 1.00 0.00 C ATOM 1068 CD LYS A 72 22.460 26.622 -6.689 1.00 0.00 C ATOM 1069 CE LYS A 72 23.504 27.518 -6.040 1.00 0.00 C ATOM 1070 NZ LYS A 72 24.204 28.370 -7.042 1.00 0.00 N ATOM 0 H LYS A 72 22.026 25.287 -8.997 1.00 0.00 H new ATOM 0 HA LYS A 72 23.741 23.783 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.845 24.589 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.403 23.393 -6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.599 25.499 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.233 25.019 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 72 22.760 26.394 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.509 27.151 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 72 23.025 28.153 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 72 24.234 26.903 -5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 25.208 28.103 -7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 23.770 28.234 -7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 24.123 29.369 -6.765 1.00 0.00 H new ATOM 1084 N TRP A 73 21.292 21.967 -8.710 1.00 0.00 N ATOM 1085 CA TRP A 73 20.905 20.603 -9.055 1.00 0.00 C ATOM 1086 C TRP A 73 22.051 19.868 -9.740 1.00 0.00 C ATOM 1087 O TRP A 73 22.555 18.870 -9.227 1.00 0.00 O ATOM 1088 CB TRP A 73 19.674 20.615 -9.964 1.00 0.00 C ATOM 1089 CG TRP A 73 18.398 20.900 -9.232 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.120 20.612 -7.926 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.226 21.527 -9.765 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.846 21.022 -7.615 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.277 21.587 -8.726 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.887 22.045 -11.017 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 15.013 22.144 -8.904 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.632 22.597 -11.192 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.708 22.643 -10.140 1.00 0.00 C ATOM 0 H TRP A 73 20.600 22.676 -8.953 1.00 0.00 H new ATOM 0 HA TRP A 73 20.662 20.077 -8.132 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.813 21.365 -10.742 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.590 19.650 -10.463 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.801 20.133 -7.239 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.397 20.922 -6.705 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.593 22.015 -11.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.299 22.181 -8.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.359 23.000 -12.156 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.735 23.081 -10.309 1.00 0.00 H new ATOM 1108 N ALA A 74 22.459 20.369 -10.902 1.00 0.00 N ATOM 1109 CA ALA A 74 23.548 19.760 -11.656 1.00 0.00 C ATOM 1110 C ALA A 74 24.764 19.520 -10.767 1.00 0.00 C ATOM 1111 O ALA A 74 25.453 18.508 -10.902 1.00 0.00 O ATOM 1112 CB ALA A 74 23.923 20.637 -12.841 1.00 0.00 C ATOM 0 H ALA A 74 22.052 21.195 -11.341 1.00 0.00 H new ATOM 0 HA ALA A 74 23.205 18.794 -12.027 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.737 20.171 -13.395 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.059 20.754 -13.495 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.242 21.616 -12.483 1.00 0.00 H new ATOM 1118 N ASP A 75 25.021 20.455 -9.860 1.00 0.00 N ATOM 1119 CA ASP A 75 26.154 20.345 -8.948 1.00 0.00 C ATOM 1120 C ASP A 75 25.978 19.161 -8.003 1.00 0.00 C ATOM 1121 O ASP A 75 26.932 18.440 -7.708 1.00 0.00 O ATOM 1122 CB ASP A 75 26.317 21.636 -8.144 1.00 0.00 C ATOM 1123 CG ASP A 75 27.227 22.635 -8.831 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.200 22.201 -9.482 1.00 0.00 O ATOM 1125 OD2 ASP A 75 26.966 23.851 -8.717 1.00 0.00 O ATOM 0 H ASP A 75 24.460 21.298 -9.736 1.00 0.00 H new ATOM 0 HA ASP A 75 27.053 20.181 -9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.338 22.089 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.720 21.399 -7.159 1.00 0.00 H new ATOM 1130 N LYS A 76 24.752 18.966 -7.530 1.00 0.00 N ATOM 1131 CA LYS A 76 24.449 17.869 -6.617 1.00 0.00 C ATOM 1132 C LYS A 76 24.736 16.522 -7.272 1.00 0.00 C ATOM 1133 O LYS A 76 25.350 15.645 -6.665 1.00 0.00 O ATOM 1134 CB LYS A 76 22.984 17.933 -6.180 1.00 0.00 C ATOM 1135 CG LYS A 76 22.609 19.239 -5.500 1.00 0.00 C ATOM 1136 CD LYS A 76 23.003 19.237 -4.032 1.00 0.00 C ATOM 1137 CE LYS A 76 22.651 20.555 -3.359 1.00 0.00 C ATOM 1138 NZ LYS A 76 23.615 21.633 -3.714 1.00 0.00 N ATOM 0 H LYS A 76 23.951 19.553 -7.764 1.00 0.00 H new ATOM 0 HA LYS A 76 25.089 17.971 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.347 17.791 -7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.780 17.107 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.100 20.069 -6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.535 19.401 -5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.497 18.419 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.074 19.056 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.645 20.856 -3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.640 20.419 -2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 23.341 22.515 -3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 24.571 21.357 -3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.607 21.781 -4.743 1.00 0.00 H new ATOM 1152 N GLY A 77 24.290 16.365 -8.515 1.00 0.00 N ATOM 1153 CA GLY A 77 24.510 15.122 -9.231 1.00 0.00 C ATOM 1154 C GLY A 77 23.215 14.465 -9.663 1.00 0.00 C ATOM 1155 O GLY A 77 23.047 13.254 -9.519 1.00 0.00 O ATOM 0 H GLY A 77 23.780 17.077 -9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.126 15.316 -10.109 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.068 14.434 -8.596 1.00 0.00 H new ATOM 1159 N TYR A 78 22.296 15.264 -10.194 1.00 0.00 N ATOM 1160 CA TYR A 78 21.007 14.753 -10.645 1.00 0.00 C ATOM 1161 C TYR A 78 20.990 14.579 -12.161 1.00 0.00 C ATOM 1162 O TYR A 78 21.963 14.897 -12.846 1.00 0.00 O ATOM 1163 CB TYR A 78 19.882 15.697 -10.216 1.00 0.00 C ATOM 1164 CG TYR A 78 19.841 15.952 -8.726 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.864 14.899 -7.820 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.779 17.246 -8.225 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.826 15.127 -6.458 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.742 17.484 -6.864 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.765 16.421 -5.985 1.00 0.00 C ATOM 1170 OH TYR A 78 19.727 16.654 -4.630 1.00 0.00 O ATOM 0 H TYR A 78 22.420 16.268 -10.323 1.00 0.00 H new ATOM 0 HA TYR A 78 20.850 13.778 -10.184 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.999 16.648 -10.736 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.927 15.277 -10.531 1.00 0.00 H new ATOM 0 HD1 TYR A 78 19.912 13.884 -8.187 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.759 18.080 -8.911 1.00 0.00 H new ATOM 0 HE1 TYR A 78 19.844 14.297 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.695 18.496 -6.491 1.00 0.00 H new ATOM 0 HH TYR A 78 19.687 17.619 -4.465 1.00 0.00 H new ATOM 1180 N THR A 79 19.876 14.072 -12.679 1.00 0.00 N ATOM 1181 CA THR A 79 19.730 13.855 -14.113 1.00 0.00 C ATOM 1182 C THR A 79 18.261 13.771 -14.510 1.00 0.00 C ATOM 1183 O THR A 79 17.409 13.397 -13.702 1.00 0.00 O ATOM 1184 CB THR A 79 20.445 12.566 -14.561 1.00 0.00 C ATOM 1185 OG1 THR A 79 20.390 12.446 -15.987 1.00 0.00 O ATOM 1186 CG2 THR A 79 19.809 11.343 -13.919 1.00 0.00 C ATOM 0 H THR A 79 19.061 13.804 -12.127 1.00 0.00 H new ATOM 0 HA THR A 79 20.189 14.709 -14.610 1.00 0.00 H new ATOM 0 HB THR A 79 21.485 12.624 -14.241 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.848 11.625 -16.264 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.331 10.445 -14.250 1.00 0.00 H new ATOM 0 HG22 THR A 79 19.879 11.424 -12.834 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.761 11.282 -14.212 1.00 0.00 H new ATOM 1194 N LEU A 80 17.969 14.122 -15.757 1.00 0.00 N ATOM 1195 CA LEU A 80 16.601 14.086 -16.262 1.00 0.00 C ATOM 1196 C LEU A 80 15.837 12.901 -15.680 1.00 0.00 C ATOM 1197 O LEU A 80 14.737 13.058 -15.149 1.00 0.00 O ATOM 1198 CB LEU A 80 16.602 14.006 -17.790 1.00 0.00 C ATOM 1199 CG LEU A 80 17.181 15.215 -18.525 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.581 14.836 -19.943 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.180 16.360 -18.540 1.00 0.00 C ATOM 0 H LEU A 80 18.661 14.435 -16.438 1.00 0.00 H new ATOM 0 HA LEU A 80 16.102 15.004 -15.953 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.165 13.121 -18.087 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.576 13.858 -18.127 1.00 0.00 H new ATOM 0 HG LEU A 80 18.073 15.546 -17.993 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.991 15.709 -20.451 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.334 14.048 -19.910 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.705 14.479 -20.485 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.609 17.212 -19.067 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.270 16.041 -19.047 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.943 16.649 -17.516 1.00 0.00 H new ATOM 1213 N THR A 81 16.428 11.715 -15.781 1.00 0.00 N ATOM 1214 CA THR A 81 15.803 10.504 -15.264 1.00 0.00 C ATOM 1215 C THR A 81 15.309 10.706 -13.837 1.00 0.00 C ATOM 1216 O THR A 81 14.146 10.444 -13.530 1.00 0.00 O ATOM 1217 CB THR A 81 16.780 9.312 -15.293 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.239 9.088 -16.630 1.00 0.00 O ATOM 1219 CG2 THR A 81 16.112 8.053 -14.763 1.00 0.00 C ATOM 0 H THR A 81 17.339 11.567 -16.216 1.00 0.00 H new ATOM 0 HA THR A 81 14.954 10.285 -15.912 1.00 0.00 H new ATOM 0 HB THR A 81 17.630 9.550 -14.653 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.861 8.330 -16.640 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.820 7.225 -14.793 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.789 8.218 -13.735 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.247 7.813 -15.381 1.00 0.00 H new ATOM 1227 N GLN A 82 16.199 11.175 -12.968 1.00 0.00 N ATOM 1228 CA GLN A 82 15.852 11.412 -11.572 1.00 0.00 C ATOM 1229 C GLN A 82 15.004 12.672 -11.429 1.00 0.00 C ATOM 1230 O GLN A 82 13.862 12.614 -10.972 1.00 0.00 O ATOM 1231 CB GLN A 82 17.118 11.537 -10.723 1.00 0.00 C ATOM 1232 CG GLN A 82 17.951 10.266 -10.683 1.00 0.00 C ATOM 1233 CD GLN A 82 17.149 9.056 -10.247 1.00 0.00 C ATOM 1234 OE1 GLN A 82 16.081 9.187 -9.649 1.00 0.00 O ATOM 1235 NE2 GLN A 82 17.661 7.867 -10.545 1.00 0.00 N ATOM 0 H GLN A 82 17.165 11.398 -13.206 1.00 0.00 H new ATOM 0 HA GLN A 82 15.270 10.561 -11.219 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.729 12.350 -11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.838 11.810 -9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.372 10.081 -11.671 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.789 10.407 -10.000 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.549 7.804 -11.042 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.166 7.017 -10.277 1.00 0.00 H new ATOM 1244 N MET A 83 15.570 13.808 -11.822 1.00 0.00 N ATOM 1245 CA MET A 83 14.864 15.082 -11.738 1.00 0.00 C ATOM 1246 C MET A 83 13.376 14.899 -12.020 1.00 0.00 C ATOM 1247 O MET A 83 12.538 15.121 -11.147 1.00 0.00 O ATOM 1248 CB MET A 83 15.463 16.086 -12.724 1.00 0.00 C ATOM 1249 CG MET A 83 14.863 17.479 -12.612 1.00 0.00 C ATOM 1250 SD MET A 83 15.100 18.207 -10.979 1.00 0.00 S ATOM 1251 CE MET A 83 16.866 18.503 -10.993 1.00 0.00 C ATOM 0 H MET A 83 16.515 13.873 -12.201 1.00 0.00 H new ATOM 0 HA MET A 83 14.978 15.467 -10.725 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.539 16.148 -12.558 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.317 15.717 -13.739 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.315 18.127 -13.363 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.797 17.430 -12.833 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.210 18.697 -9.977 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.379 17.626 -11.389 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.085 19.366 -11.622 1.00 0.00 H new ATOM 1261 N SER A 84 13.056 14.493 -13.245 1.00 0.00 N ATOM 1262 CA SER A 84 11.669 14.285 -13.643 1.00 0.00 C ATOM 1263 C SER A 84 10.922 13.461 -12.598 1.00 0.00 C ATOM 1264 O SER A 84 9.894 13.888 -12.075 1.00 0.00 O ATOM 1265 CB SER A 84 11.606 13.584 -15.002 1.00 0.00 C ATOM 1266 OG SER A 84 10.282 13.180 -15.306 1.00 0.00 O ATOM 0 H SER A 84 13.739 14.302 -13.978 1.00 0.00 H new ATOM 0 HA SER A 84 11.189 15.260 -13.723 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.972 14.256 -15.779 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.263 12.714 -14.997 1.00 0.00 H new ATOM 0 HG SER A 84 10.268 12.736 -16.180 1.00 0.00 H new ATOM 1272 N ASN A 85 11.448 12.278 -12.300 1.00 0.00 N ATOM 1273 CA ASN A 85 10.832 11.392 -11.319 1.00 0.00 C ATOM 1274 C ASN A 85 10.444 12.162 -10.060 1.00 0.00 C ATOM 1275 O ASN A 85 9.482 11.812 -9.376 1.00 0.00 O ATOM 1276 CB ASN A 85 11.786 10.252 -10.960 1.00 0.00 C ATOM 1277 CG ASN A 85 11.842 9.184 -12.035 1.00 0.00 C ATOM 1278 OD1 ASN A 85 10.953 9.093 -12.882 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.891 8.370 -12.006 1.00 0.00 N ATOM 0 H ASN A 85 12.300 11.910 -12.724 1.00 0.00 H new ATOM 0 HA ASN A 85 9.928 10.973 -11.761 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.786 10.655 -10.800 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.470 9.801 -10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.984 7.632 -12.704 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.604 8.482 -11.285 1.00 0.00 H new ATOM 1286 N PHE A 86 11.200 13.213 -9.759 1.00 0.00 N ATOM 1287 CA PHE A 86 10.937 14.033 -8.583 1.00 0.00 C ATOM 1288 C PHE A 86 9.904 15.113 -8.892 1.00 0.00 C ATOM 1289 O PHE A 86 9.036 15.411 -8.071 1.00 0.00 O ATOM 1290 CB PHE A 86 12.232 14.678 -8.084 1.00 0.00 C ATOM 1291 CG PHE A 86 13.311 13.684 -7.763 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.027 12.545 -7.028 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.611 13.889 -8.197 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.018 11.628 -6.731 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.606 12.976 -7.904 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.310 11.845 -7.169 1.00 0.00 C ATOM 0 H PHE A 86 12.000 13.517 -10.314 1.00 0.00 H new ATOM 0 HA PHE A 86 10.537 13.386 -7.802 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.600 15.369 -8.842 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.015 15.267 -7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.019 12.371 -6.683 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.849 14.772 -8.771 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.783 10.744 -6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.615 13.147 -8.250 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.087 11.132 -6.937 1.00 0.00 H new ATOM 1306 N LEU A 87 10.004 15.695 -10.081 1.00 0.00 N ATOM 1307 CA LEU A 87 9.080 16.743 -10.501 1.00 0.00 C ATOM 1308 C LEU A 87 7.849 16.145 -11.175 1.00 0.00 C ATOM 1309 O LEU A 87 7.234 16.772 -12.038 1.00 0.00 O ATOM 1310 CB LEU A 87 9.777 17.714 -11.456 1.00 0.00 C ATOM 1311 CG LEU A 87 10.892 18.567 -10.849 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.580 19.391 -11.927 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.338 19.470 -9.757 1.00 0.00 C ATOM 0 H LEU A 87 10.716 15.459 -10.772 1.00 0.00 H new ATOM 0 HA LEU A 87 8.758 17.286 -9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.195 17.141 -12.284 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.025 18.381 -11.877 1.00 0.00 H new ATOM 0 HG LEU A 87 11.631 17.902 -10.402 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.370 19.992 -11.477 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.011 18.725 -12.674 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.852 20.048 -12.403 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.145 20.070 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.579 20.128 -10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.892 18.860 -8.972 1.00 0.00 H new ATOM 1325 N LYS A 88 7.493 14.930 -10.774 1.00 0.00 N ATOM 1326 CA LYS A 88 6.334 14.247 -11.335 1.00 0.00 C ATOM 1327 C LYS A 88 5.244 14.070 -10.283 1.00 0.00 C ATOM 1328 O LYS A 88 4.956 12.953 -9.855 1.00 0.00 O ATOM 1329 CB LYS A 88 6.741 12.883 -11.897 1.00 0.00 C ATOM 1330 CG LYS A 88 7.166 12.927 -13.354 1.00 0.00 C ATOM 1331 CD LYS A 88 7.757 11.601 -13.803 1.00 0.00 C ATOM 1332 CE LYS A 88 6.671 10.581 -14.108 1.00 0.00 C ATOM 1333 NZ LYS A 88 6.183 10.693 -15.511 1.00 0.00 N ATOM 0 H LYS A 88 7.991 14.397 -10.061 1.00 0.00 H new ATOM 0 HA LYS A 88 5.938 14.862 -12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.561 12.484 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.904 12.192 -11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.306 13.173 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.900 13.720 -13.496 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.371 11.757 -14.690 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.414 11.212 -13.025 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.058 9.576 -13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.837 10.722 -13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.444 9.981 -15.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.790 11.643 -15.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.974 10.533 -16.167 1.00 0.00 H new ATOM 1347 N SER A 89 4.640 15.180 -9.871 1.00 0.00 N ATOM 1348 CA SER A 89 3.583 15.148 -8.866 1.00 0.00 C ATOM 1349 C SER A 89 2.263 14.691 -9.481 1.00 0.00 C ATOM 1350 O SER A 89 1.378 15.502 -9.755 1.00 0.00 O ATOM 1351 CB SER A 89 3.412 16.529 -8.231 1.00 0.00 C ATOM 1352 OG SER A 89 2.315 16.545 -7.333 1.00 0.00 O ATOM 0 H SER A 89 4.864 16.113 -10.217 1.00 0.00 H new ATOM 0 HA SER A 89 3.871 14.434 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.324 16.805 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.259 17.275 -9.011 1.00 0.00 H new ATOM 0 HG SER A 89 2.228 17.438 -6.939 1.00 0.00 H new ATOM 1358 N LYS A 90 2.139 13.386 -9.696 1.00 0.00 N ATOM 1359 CA LYS A 90 0.928 12.818 -10.277 1.00 0.00 C ATOM 1360 C LYS A 90 0.295 13.787 -11.270 1.00 0.00 C ATOM 1361 O LYS A 90 -0.927 13.935 -11.317 1.00 0.00 O ATOM 1362 CB LYS A 90 -0.076 12.471 -9.176 1.00 0.00 C ATOM 1363 CG LYS A 90 -0.494 13.664 -8.335 1.00 0.00 C ATOM 1364 CD LYS A 90 0.403 13.833 -7.121 1.00 0.00 C ATOM 1365 CE LYS A 90 -0.349 14.453 -5.953 1.00 0.00 C ATOM 1366 NZ LYS A 90 -0.531 15.921 -6.128 1.00 0.00 N ATOM 0 H LYS A 90 2.862 12.701 -9.477 1.00 0.00 H new ATOM 0 HA LYS A 90 1.203 11.908 -10.810 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.963 12.029 -9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.359 11.713 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.459 14.568 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.527 13.537 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.802 12.863 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.255 14.462 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.324 13.975 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.195 14.262 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.728 16.359 -5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.336 16.333 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.328 16.098 -6.772 1.00 0.00 H new ATOM 1380 N THR A 91 1.133 14.445 -12.065 1.00 0.00 N ATOM 1381 CA THR A 91 0.655 15.399 -13.058 1.00 0.00 C ATOM 1382 C THR A 91 1.518 15.364 -14.314 1.00 0.00 C ATOM 1383 O THR A 91 2.744 15.306 -14.235 1.00 0.00 O ATOM 1384 CB THR A 91 0.644 16.834 -12.497 1.00 0.00 C ATOM 1385 OG1 THR A 91 -0.092 16.874 -11.269 1.00 0.00 O ATOM 1386 CG2 THR A 91 0.025 17.800 -13.497 1.00 0.00 C ATOM 0 H THR A 91 2.147 14.335 -12.040 1.00 0.00 H new ATOM 0 HA THR A 91 -0.364 15.107 -13.312 1.00 0.00 H new ATOM 0 HB THR A 91 1.675 17.137 -12.312 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.488 16.593 -10.531 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.028 18.807 -13.080 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.604 17.788 -14.420 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.001 17.498 -13.708 1.00 0.00 H new ATOM 1394 N ALA A 92 0.868 15.399 -15.473 1.00 0.00 N ATOM 1395 CA ALA A 92 1.576 15.373 -16.747 1.00 0.00 C ATOM 1396 C ALA A 92 1.966 16.781 -17.187 1.00 0.00 C ATOM 1397 O ALA A 92 1.961 17.093 -18.376 1.00 0.00 O ATOM 1398 CB ALA A 92 0.722 14.703 -17.813 1.00 0.00 C ATOM 0 H ALA A 92 -0.148 15.445 -15.556 1.00 0.00 H new ATOM 0 HA ALA A 92 2.491 14.795 -16.614 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.264 14.691 -18.759 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.498 13.680 -17.510 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.209 15.257 -17.935 1.00 0.00 H new ATOM 1404 N GLY A 93 2.302 17.627 -16.218 1.00 0.00 N ATOM 1405 CA GLY A 93 2.689 18.991 -16.525 1.00 0.00 C ATOM 1406 C GLY A 93 2.470 19.933 -15.358 1.00 0.00 C ATOM 1407 O GLY A 93 1.743 20.920 -15.474 1.00 0.00 O ATOM 0 H GLY A 93 2.313 17.392 -15.226 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.740 19.011 -16.812 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.118 19.343 -17.384 1.00 0.00 H new ATOM 1411 N LYS A 94 3.099 19.628 -14.228 1.00 0.00 N ATOM 1412 CA LYS A 94 2.970 20.454 -13.033 1.00 0.00 C ATOM 1413 C LYS A 94 4.143 21.422 -12.912 1.00 0.00 C ATOM 1414 O LYS A 94 3.953 22.614 -12.667 1.00 0.00 O ATOM 1415 CB LYS A 94 2.893 19.572 -11.785 1.00 0.00 C ATOM 1416 CG LYS A 94 3.011 20.348 -10.484 1.00 0.00 C ATOM 1417 CD LYS A 94 1.678 20.948 -10.070 1.00 0.00 C ATOM 1418 CE LYS A 94 1.799 21.731 -8.771 1.00 0.00 C ATOM 1419 NZ LYS A 94 0.763 22.795 -8.667 1.00 0.00 N ATOM 0 H LYS A 94 3.704 18.814 -14.115 1.00 0.00 H new ATOM 0 HA LYS A 94 2.051 21.033 -13.119 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.947 19.030 -11.791 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.687 18.827 -11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.374 19.687 -9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.749 21.142 -10.599 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.312 21.605 -10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.942 20.153 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.706 21.049 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.790 22.181 -8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.879 23.306 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.868 23.460 -9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.183 22.363 -8.700 1.00 0.00 H new ATOM 1433 N TYR A 95 5.353 20.904 -13.087 1.00 0.00 N ATOM 1434 CA TYR A 95 6.556 21.723 -12.996 1.00 0.00 C ATOM 1435 C TYR A 95 7.270 21.794 -14.342 1.00 0.00 C ATOM 1436 O TYR A 95 8.498 21.751 -14.409 1.00 0.00 O ATOM 1437 CB TYR A 95 7.502 21.161 -11.933 1.00 0.00 C ATOM 1438 CG TYR A 95 6.986 21.314 -10.521 1.00 0.00 C ATOM 1439 CD1 TYR A 95 6.041 20.436 -10.006 1.00 0.00 C ATOM 1440 CD2 TYR A 95 7.444 22.338 -9.700 1.00 0.00 C ATOM 1441 CE1 TYR A 95 5.566 20.573 -8.716 1.00 0.00 C ATOM 1442 CE2 TYR A 95 6.976 22.482 -8.408 1.00 0.00 C ATOM 1443 CZ TYR A 95 6.037 21.597 -7.921 1.00 0.00 C ATOM 1444 OH TYR A 95 5.567 21.737 -6.635 1.00 0.00 O ATOM 0 H TYR A 95 5.527 19.920 -13.293 1.00 0.00 H new ATOM 0 HA TYR A 95 6.257 22.732 -12.710 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.675 20.104 -12.135 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.466 21.663 -12.015 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.671 19.632 -10.625 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.179 23.033 -10.079 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.830 19.882 -8.332 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.343 23.283 -7.783 1.00 0.00 H new ATOM 0 HH TYR A 95 6.277 21.505 -6.000 1.00 0.00 H new ATOM 1454 N ASP A 96 6.490 21.902 -15.412 1.00 0.00 N ATOM 1455 CA ASP A 96 7.046 21.981 -16.758 1.00 0.00 C ATOM 1456 C ASP A 96 7.931 23.214 -16.909 1.00 0.00 C ATOM 1457 O ASP A 96 9.083 23.115 -17.332 1.00 0.00 O ATOM 1458 CB ASP A 96 5.922 22.015 -17.796 1.00 0.00 C ATOM 1459 CG ASP A 96 6.434 21.824 -19.210 1.00 0.00 C ATOM 1460 OD1 ASP A 96 7.071 20.783 -19.475 1.00 0.00 O ATOM 1461 OD2 ASP A 96 6.199 22.716 -20.052 1.00 0.00 O ATOM 0 H ASP A 96 5.471 21.937 -15.374 1.00 0.00 H new ATOM 0 HA ASP A 96 7.658 21.094 -16.924 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.196 21.235 -17.567 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.397 22.968 -17.728 1.00 0.00 H new ATOM 1466 N ARG A 97 7.385 24.375 -16.562 1.00 0.00 N ATOM 1467 CA ARG A 97 8.125 25.627 -16.661 1.00 0.00 C ATOM 1468 C ARG A 97 9.536 25.471 -16.103 1.00 0.00 C ATOM 1469 O ARG A 97 10.505 25.950 -16.693 1.00 0.00 O ATOM 1470 CB ARG A 97 7.389 26.740 -15.912 1.00 0.00 C ATOM 1471 CG ARG A 97 7.667 28.130 -16.460 1.00 0.00 C ATOM 1472 CD ARG A 97 9.042 28.628 -16.044 1.00 0.00 C ATOM 1473 NE ARG A 97 9.238 30.036 -16.380 1.00 0.00 N ATOM 1474 CZ ARG A 97 10.422 30.638 -16.358 1.00 0.00 C ATOM 1475 NH1 ARG A 97 11.509 29.959 -16.018 1.00 0.00 N ATOM 1476 NH2 ARG A 97 10.520 31.923 -16.677 1.00 0.00 N ATOM 0 H ARG A 97 6.433 24.474 -16.210 1.00 0.00 H new ATOM 0 HA ARG A 97 8.198 25.894 -17.715 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.317 26.549 -15.957 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.675 26.709 -14.861 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.598 28.114 -17.548 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.905 28.822 -16.103 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.168 28.491 -14.970 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.809 28.028 -16.534 1.00 0.00 H new ATOM 0 HE ARG A 97 8.422 30.587 -16.646 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.438 28.972 -15.772 1.00 0.00 H new ATOM 0 HH12 ARG A 97 12.417 30.424 -16.002 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.686 32.448 -16.939 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.429 32.385 -16.660 1.00 0.00 H new ATOM 1490 N VAL A 98 9.645 24.797 -14.962 1.00 0.00 N ATOM 1491 CA VAL A 98 10.937 24.577 -14.324 1.00 0.00 C ATOM 1492 C VAL A 98 11.714 23.468 -15.025 1.00 0.00 C ATOM 1493 O VAL A 98 12.901 23.617 -15.317 1.00 0.00 O ATOM 1494 CB VAL A 98 10.774 24.212 -12.837 1.00 0.00 C ATOM 1495 CG1 VAL A 98 12.132 23.985 -12.190 1.00 0.00 C ATOM 1496 CG2 VAL A 98 10.001 25.299 -12.104 1.00 0.00 C ATOM 0 H VAL A 98 8.853 24.394 -14.461 1.00 0.00 H new ATOM 0 HA VAL A 98 11.492 25.512 -14.402 1.00 0.00 H new ATOM 0 HB VAL A 98 10.206 23.284 -12.769 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.996 23.728 -11.139 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.646 23.170 -12.699 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.728 24.894 -12.267 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.895 25.025 -11.054 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.540 26.243 -12.180 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.013 25.408 -12.552 1.00 0.00 H new ATOM 1506 N TYR A 99 11.037 22.358 -15.294 1.00 0.00 N ATOM 1507 CA TYR A 99 11.664 21.222 -15.960 1.00 0.00 C ATOM 1508 C TYR A 99 12.369 21.662 -17.239 1.00 0.00 C ATOM 1509 O TYR A 99 13.565 21.433 -17.412 1.00 0.00 O ATOM 1510 CB TYR A 99 10.619 20.152 -16.282 1.00 0.00 C ATOM 1511 CG TYR A 99 11.193 18.933 -16.967 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.042 18.066 -16.289 1.00 0.00 C ATOM 1513 CD2 TYR A 99 10.887 18.647 -18.292 1.00 0.00 C ATOM 1514 CE1 TYR A 99 12.569 16.951 -16.911 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.409 17.534 -18.921 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.249 16.689 -18.227 1.00 0.00 C ATOM 1517 OH TYR A 99 12.772 15.579 -18.851 1.00 0.00 O ATOM 0 H TYR A 99 10.054 22.220 -15.061 1.00 0.00 H new ATOM 0 HA TYR A 99 12.408 20.801 -15.283 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.131 19.843 -15.358 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.849 20.588 -16.919 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.294 18.268 -15.258 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.230 19.306 -18.839 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.228 16.288 -16.370 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.161 17.326 -19.951 1.00 0.00 H new ATOM 0 HH TYR A 99 12.447 15.540 -19.775 1.00 0.00 H new ATOM 1527 N ASN A 100 11.617 22.296 -18.133 1.00 0.00 N ATOM 1528 CA ASN A 100 12.169 22.769 -19.398 1.00 0.00 C ATOM 1529 C ASN A 100 13.567 23.346 -19.199 1.00 0.00 C ATOM 1530 O ASN A 100 14.506 22.981 -19.905 1.00 0.00 O ATOM 1531 CB ASN A 100 11.251 23.827 -20.014 1.00 0.00 C ATOM 1532 CG ASN A 100 10.121 23.214 -20.819 1.00 0.00 C ATOM 1533 OD1 ASN A 100 10.268 22.945 -22.011 1.00 0.00 O ATOM 1534 ND2 ASN A 100 8.985 22.991 -20.168 1.00 0.00 N ATOM 0 H ASN A 100 10.625 22.494 -18.005 1.00 0.00 H new ATOM 0 HA ASN A 100 12.239 21.919 -20.076 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.834 24.448 -19.221 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.838 24.483 -20.657 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.189 22.581 -20.657 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.908 23.230 -19.179 1.00 0.00 H new ATOM 1541 N GLY A 101 13.697 24.249 -18.233 1.00 0.00 N ATOM 1542 CA GLY A 101 14.984 24.862 -17.958 1.00 0.00 C ATOM 1543 C GLY A 101 16.087 23.838 -17.777 1.00 0.00 C ATOM 1544 O GLY A 101 17.011 23.761 -18.586 1.00 0.00 O ATOM 0 H GLY A 101 12.934 24.568 -17.635 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.246 25.533 -18.776 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.908 25.472 -17.058 1.00 0.00 H new ATOM 1548 N TYR A 102 15.991 23.051 -16.711 1.00 0.00 N ATOM 1549 CA TYR A 102 16.991 22.029 -16.423 1.00 0.00 C ATOM 1550 C TYR A 102 17.403 21.297 -17.696 1.00 0.00 C ATOM 1551 O TYR A 102 18.590 21.101 -17.958 1.00 0.00 O ATOM 1552 CB TYR A 102 16.450 21.030 -15.399 1.00 0.00 C ATOM 1553 CG TYR A 102 17.504 20.098 -14.847 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.712 20.589 -14.367 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.294 18.725 -14.807 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.679 19.741 -13.863 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.254 17.869 -14.303 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.445 18.382 -13.832 1.00 0.00 C ATOM 1559 OH TYR A 102 20.405 17.533 -13.331 1.00 0.00 O ATOM 0 H TYR A 102 15.231 23.101 -16.032 1.00 0.00 H new ATOM 0 HA TYR A 102 17.870 22.523 -16.009 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.994 21.578 -14.575 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.661 20.438 -15.863 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.898 21.653 -14.388 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.364 18.320 -15.177 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.613 20.140 -13.495 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.073 16.805 -14.278 1.00 0.00 H new ATOM 0 HH TYR A 102 20.927 17.998 -12.644 1.00 0.00 H new ATOM 1569 N VAL A 103 16.413 20.895 -18.487 1.00 0.00 N ATOM 1570 CA VAL A 103 16.671 20.185 -19.734 1.00 0.00 C ATOM 1571 C VAL A 103 17.683 20.934 -20.593 1.00 0.00 C ATOM 1572 O VAL A 103 18.648 20.349 -21.086 1.00 0.00 O ATOM 1573 CB VAL A 103 15.376 19.984 -20.544 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.676 19.314 -21.875 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.368 19.172 -19.744 1.00 0.00 C ATOM 0 H VAL A 103 15.425 21.049 -18.286 1.00 0.00 H new ATOM 0 HA VAL A 103 17.077 19.210 -19.465 1.00 0.00 H new ATOM 0 HB VAL A 103 14.941 20.962 -20.748 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.749 19.181 -22.432 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.359 19.938 -22.451 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.136 18.342 -21.697 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.459 19.040 -20.331 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.792 18.196 -19.507 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.129 19.698 -18.819 1.00 0.00 H new ATOM 1585 N ILE A 104 17.457 22.232 -20.769 1.00 0.00 N ATOM 1586 CA ILE A 104 18.350 23.061 -21.568 1.00 0.00 C ATOM 1587 C ILE A 104 19.723 23.178 -20.914 1.00 0.00 C ATOM 1588 O ILE A 104 20.752 23.035 -21.575 1.00 0.00 O ATOM 1589 CB ILE A 104 17.772 24.473 -21.776 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.418 24.393 -22.485 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.743 25.331 -22.573 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.570 25.634 -22.309 1.00 0.00 C ATOM 0 H ILE A 104 16.663 22.732 -20.369 1.00 0.00 H new ATOM 0 HA ILE A 104 18.451 22.572 -22.537 1.00 0.00 H new ATOM 0 HB ILE A 104 17.624 24.937 -20.801 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.583 24.224 -23.549 1.00 0.00 H new ATOM 0 HG13 ILE A 104 15.869 23.531 -22.106 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.320 26.326 -22.712 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.687 25.410 -22.033 1.00 0.00 H new ATOM 0 HG23 ILE A 104 18.919 24.873 -23.546 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.625 25.507 -22.838 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.374 25.793 -21.249 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.099 26.497 -22.714 1.00 0.00 H new ATOM 1604 N HIS A 105 19.731 23.437 -19.610 1.00 0.00 N ATOM 1605 CA HIS A 105 20.978 23.571 -18.865 1.00 0.00 C ATOM 1606 C HIS A 105 21.959 22.467 -19.246 1.00 0.00 C ATOM 1607 O HIS A 105 23.060 22.739 -19.728 1.00 0.00 O ATOM 1608 CB HIS A 105 20.705 23.530 -17.361 1.00 0.00 C ATOM 1609 CG HIS A 105 21.945 23.410 -16.530 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.548 24.489 -15.918 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.695 22.330 -16.210 1.00 0.00 C ATOM 1612 CE1 HIS A 105 23.616 24.078 -15.258 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.728 22.771 -15.419 1.00 0.00 N ATOM 0 H HIS A 105 18.889 23.558 -19.048 1.00 0.00 H new ATOM 0 HA HIS A 105 21.423 24.533 -19.120 1.00 0.00 H new ATOM 0 HB2 HIS A 105 20.170 24.435 -17.072 1.00 0.00 H new ATOM 0 HB3 HIS A 105 20.048 22.688 -17.142 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.515 21.311 -16.519 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.284 24.704 -14.684 1.00 0.00 H new ATOM 0 HE2 HIS A 105 24.462 22.185 -15.021 1.00 0.00 H new ATOM 1622 N LEU A 106 21.555 21.221 -19.025 1.00 0.00 N ATOM 1623 CA LEU A 106 22.400 20.075 -19.345 1.00 0.00 C ATOM 1624 C LEU A 106 22.769 20.066 -20.825 1.00 0.00 C ATOM 1625 O LEU A 106 23.890 19.717 -21.193 1.00 0.00 O ATOM 1626 CB LEU A 106 21.686 18.773 -18.978 1.00 0.00 C ATOM 1627 CG LEU A 106 21.751 18.363 -17.506 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.832 17.182 -17.239 1.00 0.00 C ATOM 1629 CD2 LEU A 106 23.182 18.028 -17.108 1.00 0.00 C ATOM 0 H LEU A 106 20.648 20.978 -18.626 1.00 0.00 H new ATOM 0 HA LEU A 106 23.317 20.157 -18.762 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.638 18.864 -19.263 1.00 0.00 H new ATOM 0 HB3 LEU A 106 22.111 17.968 -19.578 1.00 0.00 H new ATOM 0 HG LEU A 106 21.413 19.204 -16.900 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.892 16.905 -16.187 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.806 17.457 -17.484 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.138 16.336 -17.855 1.00 0.00 H new ATOM 0 HD21 LEU A 106 23.209 17.738 -16.058 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.547 17.204 -17.721 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.816 18.902 -17.260 1.00 0.00 H new ATOM 1641 N ASP A 107 21.819 20.454 -21.668 1.00 0.00 N ATOM 1642 CA ASP A 107 22.044 20.495 -23.108 1.00 0.00 C ATOM 1643 C ASP A 107 23.478 20.912 -23.422 1.00 0.00 C ATOM 1644 O ASP A 107 24.075 20.440 -24.390 1.00 0.00 O ATOM 1645 CB ASP A 107 21.062 21.460 -23.773 1.00 0.00 C ATOM 1646 CG ASP A 107 20.936 21.221 -25.265 1.00 0.00 C ATOM 1647 OD1 ASP A 107 20.839 20.044 -25.671 1.00 0.00 O ATOM 1648 OD2 ASP A 107 20.935 22.211 -26.027 1.00 0.00 O ATOM 0 H ASP A 107 20.885 20.745 -21.379 1.00 0.00 H new ATOM 0 HA ASP A 107 21.880 19.493 -23.505 1.00 0.00 H new ATOM 0 HB2 ASP A 107 20.082 21.355 -23.307 1.00 0.00 H new ATOM 0 HB3 ASP A 107 21.390 22.485 -23.599 1.00 0.00 H new ATOM 1653 N TYR A 108 24.023 21.801 -22.599 1.00 0.00 N ATOM 1654 CA TYR A 108 25.385 22.285 -22.790 1.00 0.00 C ATOM 1655 C TYR A 108 26.301 21.161 -23.267 1.00 0.00 C ATOM 1656 O TYR A 108 26.840 21.214 -24.371 1.00 0.00 O ATOM 1657 CB TYR A 108 25.925 22.880 -21.489 1.00 0.00 C ATOM 1658 CG TYR A 108 26.593 21.864 -20.590 1.00 0.00 C ATOM 1659 CD1 TYR A 108 25.843 21.057 -19.742 1.00 0.00 C ATOM 1660 CD2 TYR A 108 27.974 21.710 -20.587 1.00 0.00 C ATOM 1661 CE1 TYR A 108 26.449 20.128 -18.919 1.00 0.00 C ATOM 1662 CE2 TYR A 108 28.588 20.783 -19.768 1.00 0.00 C ATOM 1663 CZ TYR A 108 27.822 19.994 -18.936 1.00 0.00 C ATOM 1664 OH TYR A 108 28.430 19.070 -18.118 1.00 0.00 O ATOM 0 H TYR A 108 23.542 22.201 -21.793 1.00 0.00 H new ATOM 0 HA TYR A 108 25.363 23.061 -23.555 1.00 0.00 H new ATOM 0 HB2 TYR A 108 26.640 23.667 -21.729 1.00 0.00 H new ATOM 0 HB3 TYR A 108 25.105 23.350 -20.946 1.00 0.00 H new ATOM 0 HD1 TYR A 108 24.768 21.158 -19.727 1.00 0.00 H new ATOM 0 HD2 TYR A 108 28.578 22.326 -21.237 1.00 0.00 H new ATOM 0 HE1 TYR A 108 25.851 19.510 -18.266 1.00 0.00 H new ATOM 0 HE2 TYR A 108 29.663 20.677 -19.779 1.00 0.00 H new ATOM 0 HH TYR A 108 29.400 19.102 -18.253 1.00 0.00 H new TER 1674 TYR A 108