USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 855 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 95 TYR OH : rot -16:sc= -0.825 USER MOD Set 1.2: A 118 THR OG1 : rot 177:sc= 0.299 USER MOD Set 2.1: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 93 MET CE :methyl 175:sc= -0.535 (180deg=-0.569) USER MOD Set 3.1: A 73 TYR OH : rot 5:sc= 0.362 USER MOD Set 3.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 83 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Set 5.1: A 30 GLN : amide:sc= -2.93 K(o=-2.9,f=-5.9!) USER MOD Set 5.2: A 33 THR OG1 : rot 180:sc= 0.00231 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -154:sc=-0.00102 (180deg=-0.714) USER MOD Single : A 19 SER OG : rot -39:sc= 0.497 USER MOD Single : A 20 ASN : amide:sc= -3.64! X(o=-3.6!,f=-3.5) USER MOD Single : A 23 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0136) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 120:sc= -0.895 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.42) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 161:sc= -0.66 USER MOD Single : A 58 TYR OH : rot -140:sc= -3.97! USER MOD Single : A 60 TYR OH : rot 180:sc= -0.107 USER MOD Single : A 65 SER OG : rot -141:sc= 1.04 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -148:sc= -0.111 (180deg=-1.37) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.075 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -2.93! F(o=-3.5,f=-2.9!) USER MOD Single : A 96 HIS :FLIP no HE2:sc= -4.31 F(o=-5.4!,f=-4.3) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 103 TYR OH : rot 180:sc=-0.00514 USER MOD Single : A 104 ASN : amide:sc= -0.585 K(o=-0.59,f=-2.2!) USER MOD Single : A 105 SER OG : rot -54:sc= 0.0133 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 60:sc= -1.58 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= -0.0175 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 9.761 -24.645 -6.824 1.00 0.00 N ATOM 67 CA ASP A 8 9.949 -23.807 -5.645 1.00 0.00 C ATOM 68 C ASP A 8 10.754 -22.558 -5.990 1.00 0.00 C ATOM 69 O ASP A 8 10.411 -21.453 -5.571 1.00 0.00 O ATOM 70 CB ASP A 8 10.655 -24.596 -4.541 1.00 0.00 C ATOM 71 CG ASP A 8 10.150 -26.021 -4.434 1.00 0.00 C ATOM 72 OD1 ASP A 8 10.604 -26.872 -5.227 1.00 0.00 O ATOM 73 OD2 ASP A 8 9.301 -26.286 -3.558 1.00 0.00 O ATOM 0 HA ASP A 8 8.967 -23.497 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.727 -24.607 -4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.510 -24.090 -3.587 1.00 0.00 H new ATOM 78 N GLU A 9 11.826 -22.742 -6.754 1.00 0.00 N ATOM 79 CA GLU A 9 12.680 -21.629 -7.151 1.00 0.00 C ATOM 80 C GLU A 9 11.844 -20.417 -7.551 1.00 0.00 C ATOM 81 O GLU A 9 12.217 -19.277 -7.280 1.00 0.00 O ATOM 82 CB GLU A 9 13.586 -22.043 -8.313 1.00 0.00 C ATOM 83 CG GLU A 9 14.592 -23.122 -7.946 1.00 0.00 C ATOM 84 CD GLU A 9 15.308 -23.687 -9.157 1.00 0.00 C ATOM 85 OE1 GLU A 9 16.273 -23.048 -9.627 1.00 0.00 O ATOM 86 OE2 GLU A 9 14.905 -24.768 -9.635 1.00 0.00 O ATOM 0 H GLU A 9 12.123 -23.650 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 9 13.298 -21.356 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.967 -22.400 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.122 -21.166 -8.675 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.326 -22.709 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.079 -23.929 -7.422 1.00 0.00 H new ATOM 93 N GLU A 10 10.711 -20.675 -8.198 1.00 0.00 N ATOM 94 CA GLU A 10 9.822 -19.605 -8.637 1.00 0.00 C ATOM 95 C GLU A 10 9.130 -18.950 -7.445 1.00 0.00 C ATOM 96 O GLU A 10 9.020 -17.726 -7.371 1.00 0.00 O ATOM 97 CB GLU A 10 8.777 -20.148 -9.613 1.00 0.00 C ATOM 98 CG GLU A 10 9.260 -20.206 -11.052 1.00 0.00 C ATOM 99 CD GLU A 10 8.123 -20.358 -12.043 1.00 0.00 C ATOM 100 OE1 GLU A 10 7.428 -21.395 -11.995 1.00 0.00 O ATOM 101 OE2 GLU A 10 7.928 -19.441 -12.868 1.00 0.00 O ATOM 0 H GLU A 10 10.388 -21.614 -8.429 1.00 0.00 H new ATOM 0 HA GLU A 10 10.425 -18.852 -9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.482 -21.149 -9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.886 -19.523 -9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.818 -19.298 -11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.951 -21.042 -11.166 1.00 0.00 H new ATOM 108 N THR A 11 8.664 -19.775 -6.512 1.00 0.00 N ATOM 109 CA THR A 11 7.980 -19.278 -5.325 1.00 0.00 C ATOM 110 C THR A 11 8.900 -18.392 -4.492 1.00 0.00 C ATOM 111 O THR A 11 8.485 -17.348 -3.988 1.00 0.00 O ATOM 112 CB THR A 11 7.467 -20.435 -4.447 1.00 0.00 C ATOM 113 OG1 THR A 11 6.593 -21.276 -5.207 1.00 0.00 O ATOM 114 CG2 THR A 11 6.731 -19.902 -3.226 1.00 0.00 C ATOM 0 H THR A 11 8.748 -20.791 -6.556 1.00 0.00 H new ATOM 0 HA THR A 11 7.130 -18.691 -5.672 1.00 0.00 H new ATOM 0 HB THR A 11 8.326 -21.015 -4.110 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.273 -22.010 -4.642 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.378 -20.737 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.407 -19.285 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.880 -19.301 -3.548 1.00 0.00 H new ATOM 122 N LYS A 12 10.152 -18.814 -4.350 1.00 0.00 N ATOM 123 CA LYS A 12 11.132 -18.059 -3.580 1.00 0.00 C ATOM 124 C LYS A 12 11.276 -16.641 -4.124 1.00 0.00 C ATOM 125 O LYS A 12 11.218 -15.669 -3.372 1.00 0.00 O ATOM 126 CB LYS A 12 12.488 -18.767 -3.607 1.00 0.00 C ATOM 127 CG LYS A 12 12.516 -20.058 -2.808 1.00 0.00 C ATOM 128 CD LYS A 12 13.884 -20.717 -2.861 1.00 0.00 C ATOM 129 CE LYS A 12 14.778 -20.239 -1.727 1.00 0.00 C ATOM 130 NZ LYS A 12 15.545 -19.019 -2.102 1.00 0.00 N ATOM 0 H LYS A 12 10.512 -19.676 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 12 10.780 -18.000 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.755 -18.984 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.249 -18.091 -3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.251 -19.851 -1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.765 -20.745 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.770 -21.800 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.358 -20.496 -3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.169 -20.029 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.471 -21.034 -1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.419 -18.972 -1.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.785 -19.057 -3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.968 -18.175 -1.914 1.00 0.00 H new ATOM 144 N ALA A 13 11.463 -16.531 -5.435 1.00 0.00 N ATOM 145 CA ALA A 13 11.611 -15.232 -6.079 1.00 0.00 C ATOM 146 C ALA A 13 10.420 -14.330 -5.776 1.00 0.00 C ATOM 147 O ALA A 13 10.570 -13.117 -5.627 1.00 0.00 O ATOM 148 CB ALA A 13 11.777 -15.404 -7.582 1.00 0.00 C ATOM 0 H ALA A 13 11.516 -17.326 -6.072 1.00 0.00 H new ATOM 0 HA ALA A 13 12.505 -14.755 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.886 -14.426 -8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.664 -16.004 -7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.899 -15.905 -7.990 1.00 0.00 H new ATOM 154 N PHE A 14 9.237 -14.929 -5.688 1.00 0.00 N ATOM 155 CA PHE A 14 8.020 -14.178 -5.404 1.00 0.00 C ATOM 156 C PHE A 14 7.985 -13.728 -3.946 1.00 0.00 C ATOM 157 O PHE A 14 7.459 -12.663 -3.628 1.00 0.00 O ATOM 158 CB PHE A 14 6.787 -15.029 -5.716 1.00 0.00 C ATOM 159 CG PHE A 14 6.291 -14.871 -7.125 1.00 0.00 C ATOM 160 CD1 PHE A 14 5.576 -13.744 -7.500 1.00 0.00 C ATOM 161 CD2 PHE A 14 6.539 -15.849 -8.075 1.00 0.00 C ATOM 162 CE1 PHE A 14 5.118 -13.597 -8.795 1.00 0.00 C ATOM 163 CE2 PHE A 14 6.084 -15.707 -9.372 1.00 0.00 C ATOM 164 CZ PHE A 14 5.373 -14.579 -9.733 1.00 0.00 C ATOM 0 H PHE A 14 9.095 -15.932 -5.809 1.00 0.00 H new ATOM 0 HA PHE A 14 8.013 -13.292 -6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.025 -16.078 -5.538 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.987 -14.762 -5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.375 -12.972 -6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.095 -16.733 -7.798 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.561 -12.715 -9.074 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.284 -16.477 -10.103 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.017 -14.465 -10.746 1.00 0.00 H new ATOM 174 N GLU A 15 8.550 -14.549 -3.066 1.00 0.00 N ATOM 175 CA GLU A 15 8.583 -14.236 -1.643 1.00 0.00 C ATOM 176 C GLU A 15 9.462 -13.017 -1.373 1.00 0.00 C ATOM 177 O GLU A 15 9.222 -12.262 -0.432 1.00 0.00 O ATOM 178 CB GLU A 15 9.098 -15.436 -0.845 1.00 0.00 C ATOM 179 CG GLU A 15 8.119 -16.596 -0.792 1.00 0.00 C ATOM 180 CD GLU A 15 8.253 -17.416 0.477 1.00 0.00 C ATOM 181 OE1 GLU A 15 9.157 -18.276 0.533 1.00 0.00 O ATOM 182 OE2 GLU A 15 7.456 -17.196 1.413 1.00 0.00 O ATOM 0 H GLU A 15 8.991 -15.435 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 15 7.566 -14.007 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.033 -15.781 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.324 -15.115 0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.102 -16.211 -0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.279 -17.241 -1.656 1.00 0.00 H new ATOM 189 N ALA A 16 10.480 -12.834 -2.207 1.00 0.00 N ATOM 190 CA ALA A 16 11.394 -11.708 -2.060 1.00 0.00 C ATOM 191 C ALA A 16 10.947 -10.524 -2.911 1.00 0.00 C ATOM 192 O ALA A 16 10.947 -9.381 -2.451 1.00 0.00 O ATOM 193 CB ALA A 16 12.809 -12.125 -2.434 1.00 0.00 C ATOM 0 H ALA A 16 10.693 -13.451 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 16 11.383 -11.396 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.481 -11.275 -2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.134 -12.935 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.827 -12.465 -3.470 1.00 0.00 H new ATOM 199 N LEU A 17 10.568 -10.804 -4.153 1.00 0.00 N ATOM 200 CA LEU A 17 10.118 -9.761 -5.069 1.00 0.00 C ATOM 201 C LEU A 17 8.866 -9.071 -4.537 1.00 0.00 C ATOM 202 O LEU A 17 8.837 -7.850 -4.378 1.00 0.00 O ATOM 203 CB LEU A 17 9.839 -10.354 -6.451 1.00 0.00 C ATOM 204 CG LEU A 17 8.928 -9.532 -7.363 1.00 0.00 C ATOM 205 CD1 LEU A 17 9.710 -8.407 -8.024 1.00 0.00 C ATOM 206 CD2 LEU A 17 8.279 -10.422 -8.412 1.00 0.00 C ATOM 0 H LEU A 17 10.563 -11.744 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 17 10.912 -9.018 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.792 -10.501 -6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.393 -11.340 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 17 8.139 -9.090 -6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.046 -7.832 -8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.126 -7.753 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.520 -8.828 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.634 -9.820 -9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.053 -10.894 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.684 -11.191 -7.919 1.00 0.00 H new ATOM 218 N LEU A 18 7.834 -9.860 -4.260 1.00 0.00 N ATOM 219 CA LEU A 18 6.579 -9.326 -3.743 1.00 0.00 C ATOM 220 C LEU A 18 6.818 -8.497 -2.485 1.00 0.00 C ATOM 221 O LEU A 18 6.033 -7.607 -2.158 1.00 0.00 O ATOM 222 CB LEU A 18 5.604 -10.465 -3.439 1.00 0.00 C ATOM 223 CG LEU A 18 5.102 -11.258 -4.646 1.00 0.00 C ATOM 224 CD1 LEU A 18 4.437 -12.550 -4.197 1.00 0.00 C ATOM 225 CD2 LEU A 18 4.139 -10.419 -5.473 1.00 0.00 C ATOM 0 H LEU A 18 7.842 -10.872 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 18 6.146 -8.679 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.089 -11.157 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.741 -10.049 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 18 5.958 -11.513 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.086 -13.101 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.157 -13.158 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.591 -12.318 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.792 -11.000 -6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.286 -10.133 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.649 -9.523 -5.826 1.00 0.00 H new ATOM 237 N SER A 19 7.908 -8.793 -1.785 1.00 0.00 N ATOM 238 CA SER A 19 8.250 -8.076 -0.562 1.00 0.00 C ATOM 239 C SER A 19 9.362 -7.064 -0.819 1.00 0.00 C ATOM 240 O SER A 19 10.128 -6.726 0.082 1.00 0.00 O ATOM 241 CB SER A 19 8.681 -9.059 0.527 1.00 0.00 C ATOM 242 OG SER A 19 9.023 -8.379 1.722 1.00 0.00 O ATOM 0 H SER A 19 8.570 -9.525 -2.044 1.00 0.00 H new ATOM 0 HA SER A 19 7.364 -7.538 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.874 -9.764 0.725 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.535 -9.641 0.179 1.00 0.00 H new ATOM 0 HG SER A 19 9.503 -7.553 1.503 1.00 0.00 H new ATOM 248 N ASN A 20 9.443 -6.584 -2.056 1.00 0.00 N ATOM 249 CA ASN A 20 10.462 -5.611 -2.433 1.00 0.00 C ATOM 250 C ASN A 20 9.822 -4.333 -2.967 1.00 0.00 C ATOM 251 O ASN A 20 10.435 -3.598 -3.742 1.00 0.00 O ATOM 252 CB ASN A 20 11.399 -6.205 -3.486 1.00 0.00 C ATOM 253 CG ASN A 20 12.743 -5.503 -3.526 1.00 0.00 C ATOM 254 OD1 ASN A 20 12.938 -4.475 -2.877 1.00 0.00 O ATOM 255 ND2 ASN A 20 13.677 -6.056 -4.291 1.00 0.00 N ATOM 0 H ASN A 20 8.816 -6.853 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 20 11.039 -5.362 -1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.551 -7.264 -3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.928 -6.138 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.600 -5.628 -4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.471 -6.909 -4.812 1.00 0.00 H new ATOM 262 N ILE A 21 8.588 -4.076 -2.548 1.00 0.00 N ATOM 263 CA ILE A 21 7.866 -2.887 -2.983 1.00 0.00 C ATOM 264 C ILE A 21 8.195 -1.689 -2.098 1.00 0.00 C ATOM 265 O ILE A 21 9.039 -1.777 -1.205 1.00 0.00 O ATOM 266 CB ILE A 21 6.344 -3.117 -2.971 1.00 0.00 C ATOM 267 CG1 ILE A 21 5.791 -2.947 -1.554 1.00 0.00 C ATOM 268 CG2 ILE A 21 6.012 -4.499 -3.513 1.00 0.00 C ATOM 269 CD1 ILE A 21 6.306 -3.981 -0.577 1.00 0.00 C ATOM 0 H ILE A 21 8.067 -4.675 -1.908 1.00 0.00 H new ATOM 0 HA ILE A 21 8.186 -2.680 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 21 5.875 -2.374 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.049 -1.953 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.703 -3.001 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.932 -4.646 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.376 -4.585 -4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.490 -5.257 -2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.873 -3.800 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.025 -4.977 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.392 -3.912 -0.513 1.00 0.00 H new ATOM 281 N VAL A 22 7.522 -0.571 -2.350 1.00 0.00 N ATOM 282 CA VAL A 22 7.740 0.644 -1.574 1.00 0.00 C ATOM 283 C VAL A 22 6.436 1.151 -0.969 1.00 0.00 C ATOM 284 O VAL A 22 5.422 1.266 -1.658 1.00 0.00 O ATOM 285 CB VAL A 22 8.361 1.758 -2.438 1.00 0.00 C ATOM 286 CG1 VAL A 22 8.716 2.963 -1.581 1.00 0.00 C ATOM 287 CG2 VAL A 22 9.585 1.239 -3.177 1.00 0.00 C ATOM 0 H VAL A 22 6.821 -0.481 -3.086 1.00 0.00 H new ATOM 0 HA VAL A 22 8.433 0.388 -0.773 1.00 0.00 H new ATOM 0 HB VAL A 22 7.625 2.073 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.153 3.740 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.815 3.347 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.434 2.667 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.011 2.039 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.327 0.895 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.296 0.410 -3.823 1.00 0.00 H new ATOM 297 N LYS A 23 6.469 1.455 0.324 1.00 0.00 N ATOM 298 CA LYS A 23 5.290 1.953 1.023 1.00 0.00 C ATOM 299 C LYS A 23 4.528 2.954 0.161 1.00 0.00 C ATOM 300 O LYS A 23 5.114 3.796 -0.520 1.00 0.00 O ATOM 301 CB LYS A 23 5.695 2.608 2.346 1.00 0.00 C ATOM 302 CG LYS A 23 6.049 4.079 2.213 1.00 0.00 C ATOM 303 CD LYS A 23 6.237 4.732 3.571 1.00 0.00 C ATOM 304 CE LYS A 23 6.976 6.057 3.456 1.00 0.00 C ATOM 305 NZ LYS A 23 6.573 7.012 4.524 1.00 0.00 N ATOM 0 H LYS A 23 7.300 1.365 0.909 1.00 0.00 H new ATOM 0 HA LYS A 23 4.636 1.106 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.877 2.503 3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.550 2.073 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.963 4.183 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.261 4.596 1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.264 4.896 4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.793 4.060 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.050 5.880 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.778 6.500 2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.377 7.628 4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.778 7.593 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.282 6.483 5.371 1.00 0.00 H new ATOM 319 N PRO A 24 3.190 2.862 0.189 1.00 0.00 N ATOM 320 CA PRO A 24 2.319 3.753 -0.584 1.00 0.00 C ATOM 321 C PRO A 24 2.330 5.181 -0.049 1.00 0.00 C ATOM 322 O PRO A 24 2.450 5.403 1.156 1.00 0.00 O ATOM 323 CB PRO A 24 0.932 3.129 -0.413 1.00 0.00 C ATOM 324 CG PRO A 24 1.009 2.380 0.872 1.00 0.00 C ATOM 325 CD PRO A 24 2.424 1.882 0.977 1.00 0.00 C ATOM 0 HA PRO A 24 2.639 3.836 -1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.156 3.893 -0.380 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.691 2.466 -1.244 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.759 3.024 1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.302 1.551 0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.762 1.847 2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.526 0.874 0.574 1.00 0.00 H new ATOM 333 N VAL A 25 2.204 6.148 -0.953 1.00 0.00 N ATOM 334 CA VAL A 25 2.198 7.555 -0.572 1.00 0.00 C ATOM 335 C VAL A 25 0.795 8.143 -0.662 1.00 0.00 C ATOM 336 O VAL A 25 0.111 7.991 -1.674 1.00 0.00 O ATOM 337 CB VAL A 25 3.147 8.381 -1.460 1.00 0.00 C ATOM 338 CG1 VAL A 25 3.047 9.860 -1.117 1.00 0.00 C ATOM 339 CG2 VAL A 25 4.579 7.887 -1.313 1.00 0.00 C ATOM 0 H VAL A 25 2.105 5.982 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 25 2.544 7.604 0.461 1.00 0.00 H new ATOM 0 HB VAL A 25 2.847 8.252 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.725 10.428 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.025 10.203 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.320 10.011 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.236 8.482 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.893 7.984 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.635 6.840 -1.612 1.00 0.00 H new ATOM 349 N ALA A 26 0.371 8.815 0.403 1.00 0.00 N ATOM 350 CA ALA A 26 -0.951 9.429 0.443 1.00 0.00 C ATOM 351 C ALA A 26 -0.919 10.840 -0.135 1.00 0.00 C ATOM 352 O ALA A 26 -0.187 11.703 0.350 1.00 0.00 O ATOM 353 CB ALA A 26 -1.478 9.453 1.870 1.00 0.00 C ATOM 0 H ALA A 26 0.924 8.948 1.250 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.622 8.829 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.466 9.914 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.547 8.434 2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.799 10.029 2.499 1.00 0.00 H new ATOM 359 N SER A 27 -1.717 11.067 -1.173 1.00 0.00 N ATOM 360 CA SER A 27 -1.776 12.372 -1.820 1.00 0.00 C ATOM 361 C SER A 27 -3.223 12.793 -2.062 1.00 0.00 C ATOM 362 O SER A 27 -4.153 12.023 -1.824 1.00 0.00 O ATOM 363 CB SER A 27 -1.014 12.343 -3.146 1.00 0.00 C ATOM 364 OG SER A 27 0.385 12.279 -2.929 1.00 0.00 O ATOM 0 H SER A 27 -2.332 10.364 -1.584 1.00 0.00 H new ATOM 0 HA SER A 27 -1.309 13.100 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.334 11.483 -3.734 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.255 13.233 -3.727 1.00 0.00 H new ATOM 0 HG SER A 27 0.849 12.260 -3.792 1.00 0.00 H new ATOM 370 N ASP A 28 -3.403 14.021 -2.535 1.00 0.00 N ATOM 371 CA ASP A 28 -4.736 14.547 -2.810 1.00 0.00 C ATOM 372 C ASP A 28 -5.744 14.031 -1.788 1.00 0.00 C ATOM 373 O ASP A 28 -6.895 13.751 -2.125 1.00 0.00 O ATOM 374 CB ASP A 28 -5.178 14.160 -4.222 1.00 0.00 C ATOM 375 CG ASP A 28 -6.126 15.175 -4.830 1.00 0.00 C ATOM 376 OD1 ASP A 28 -5.903 16.387 -4.632 1.00 0.00 O ATOM 377 OD2 ASP A 28 -7.091 14.756 -5.504 1.00 0.00 O ATOM 0 H ASP A 28 -2.643 14.671 -2.736 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.695 15.634 -2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.300 14.060 -4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.664 13.185 -4.193 1.00 0.00 H new ATOM 382 N ILE A 29 -5.305 13.908 -0.541 1.00 0.00 N ATOM 383 CA ILE A 29 -6.169 13.426 0.529 1.00 0.00 C ATOM 384 C ILE A 29 -7.395 14.319 0.689 1.00 0.00 C ATOM 385 O ILE A 29 -7.281 15.543 0.740 1.00 0.00 O ATOM 386 CB ILE A 29 -5.419 13.358 1.872 1.00 0.00 C ATOM 387 CG1 ILE A 29 -4.170 12.485 1.740 1.00 0.00 C ATOM 388 CG2 ILE A 29 -6.333 12.823 2.964 1.00 0.00 C ATOM 389 CD1 ILE A 29 -3.076 12.840 2.723 1.00 0.00 C ATOM 0 H ILE A 29 -4.355 14.136 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.487 12.422 0.249 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.108 14.365 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.450 11.441 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.779 12.575 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.788 12.781 3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.195 13.482 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.672 11.822 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.222 12.180 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.768 13.874 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.449 12.722 3.740 1.00 0.00 H new ATOM 401 N GLN A 30 -8.567 13.697 0.770 1.00 0.00 N ATOM 402 CA GLN A 30 -9.814 14.436 0.926 1.00 0.00 C ATOM 403 C GLN A 30 -10.567 13.976 2.170 1.00 0.00 C ATOM 404 O GLN A 30 -10.067 13.162 2.946 1.00 0.00 O ATOM 405 CB GLN A 30 -10.695 14.258 -0.312 1.00 0.00 C ATOM 406 CG GLN A 30 -10.412 15.271 -1.410 1.00 0.00 C ATOM 407 CD GLN A 30 -9.409 14.764 -2.427 1.00 0.00 C ATOM 408 OE1 GLN A 30 -8.451 15.457 -2.770 1.00 0.00 O ATOM 409 NE2 GLN A 30 -9.625 13.548 -2.916 1.00 0.00 N ATOM 0 H GLN A 30 -8.679 12.684 0.730 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.569 15.492 1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.550 13.253 -0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.742 14.336 -0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.344 15.521 -1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.036 16.191 -0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.432 13.009 -2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.984 13.154 -3.604 1.00 0.00 H new ATOM 418 N ALA A 31 -11.773 14.504 2.355 1.00 0.00 N ATOM 419 CA ALA A 31 -12.596 14.147 3.504 1.00 0.00 C ATOM 420 C ALA A 31 -12.418 12.677 3.871 1.00 0.00 C ATOM 421 O ALA A 31 -11.783 12.350 4.873 1.00 0.00 O ATOM 422 CB ALA A 31 -14.060 14.448 3.219 1.00 0.00 C ATOM 0 H ALA A 31 -12.202 15.181 1.723 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.271 14.749 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.663 14.176 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.179 15.512 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.388 13.872 2.354 1.00 0.00 H new ATOM 428 N ARG A 32 -12.984 11.795 3.053 1.00 0.00 N ATOM 429 CA ARG A 32 -12.889 10.360 3.293 1.00 0.00 C ATOM 430 C ARG A 32 -12.106 9.673 2.178 1.00 0.00 C ATOM 431 O ARG A 32 -11.521 8.608 2.379 1.00 0.00 O ATOM 432 CB ARG A 32 -14.286 9.747 3.403 1.00 0.00 C ATOM 433 CG ARG A 32 -15.316 10.683 4.014 1.00 0.00 C ATOM 434 CD ARG A 32 -16.734 10.242 3.685 1.00 0.00 C ATOM 435 NE ARG A 32 -17.166 9.124 4.519 1.00 0.00 N ATOM 436 CZ ARG A 32 -17.559 9.257 5.781 1.00 0.00 C ATOM 437 NH1 ARG A 32 -17.575 10.454 6.351 1.00 0.00 N ATOM 438 NH2 ARG A 32 -17.938 8.191 6.475 1.00 0.00 N ATOM 0 H ARG A 32 -13.513 12.049 2.219 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.358 10.208 4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.622 9.449 2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.229 8.840 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.185 10.714 5.096 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.154 11.696 3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.416 11.081 3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.790 9.954 2.635 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.166 8.190 4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.285 11.275 5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.877 10.553 7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.928 7.269 6.039 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -18.240 8.294 7.444 1.00 0.00 H new ATOM 452 N THR A 33 -12.100 10.289 0.999 1.00 0.00 N ATOM 453 CA THR A 33 -11.391 9.736 -0.148 1.00 0.00 C ATOM 454 C THR A 33 -9.982 10.307 -0.250 1.00 0.00 C ATOM 455 O THR A 33 -9.725 11.434 0.173 1.00 0.00 O ATOM 456 CB THR A 33 -12.144 10.019 -1.462 1.00 0.00 C ATOM 457 OG1 THR A 33 -12.480 11.408 -1.545 1.00 0.00 O ATOM 458 CG2 THR A 33 -13.409 9.179 -1.552 1.00 0.00 C ATOM 0 H THR A 33 -12.578 11.171 0.814 1.00 0.00 H new ATOM 0 HA THR A 33 -11.333 8.658 0.005 1.00 0.00 H new ATOM 0 HB THR A 33 -11.491 9.754 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.957 11.580 -2.384 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.924 9.396 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.147 8.122 -1.519 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.064 9.417 -0.714 1.00 0.00 H new ATOM 466 N VAL A 34 -9.070 9.522 -0.816 1.00 0.00 N ATOM 467 CA VAL A 34 -7.686 9.950 -0.976 1.00 0.00 C ATOM 468 C VAL A 34 -7.033 9.265 -2.172 1.00 0.00 C ATOM 469 O VAL A 34 -7.608 8.356 -2.770 1.00 0.00 O ATOM 470 CB VAL A 34 -6.857 9.652 0.288 1.00 0.00 C ATOM 471 CG1 VAL A 34 -7.667 9.948 1.540 1.00 0.00 C ATOM 472 CG2 VAL A 34 -6.377 8.209 0.281 1.00 0.00 C ATOM 0 H VAL A 34 -9.266 8.586 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.705 11.027 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.982 10.302 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.065 9.731 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.956 10.999 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.562 9.326 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.793 8.015 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.237 7.540 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.757 8.036 -0.598 1.00 0.00 H new ATOM 482 N VAL A 35 -5.828 9.708 -2.515 1.00 0.00 N ATOM 483 CA VAL A 35 -5.095 9.137 -3.638 1.00 0.00 C ATOM 484 C VAL A 35 -3.842 8.409 -3.165 1.00 0.00 C ATOM 485 O VAL A 35 -2.826 9.034 -2.857 1.00 0.00 O ATOM 486 CB VAL A 35 -4.692 10.221 -4.655 1.00 0.00 C ATOM 487 CG1 VAL A 35 -3.747 9.649 -5.701 1.00 0.00 C ATOM 488 CG2 VAL A 35 -5.926 10.821 -5.311 1.00 0.00 C ATOM 0 H VAL A 35 -5.339 10.461 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.764 8.425 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.168 11.015 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.474 10.430 -6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.849 9.272 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.241 8.834 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.622 11.585 -6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.480 10.038 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.562 11.270 -4.548 1.00 0.00 H new ATOM 498 N LEU A 36 -3.919 7.084 -3.109 1.00 0.00 N ATOM 499 CA LEU A 36 -2.791 6.269 -2.673 1.00 0.00 C ATOM 500 C LEU A 36 -2.002 5.746 -3.869 1.00 0.00 C ATOM 501 O LEU A 36 -2.495 4.921 -4.639 1.00 0.00 O ATOM 502 CB LEU A 36 -3.281 5.098 -1.820 1.00 0.00 C ATOM 503 CG LEU A 36 -2.224 4.404 -0.961 1.00 0.00 C ATOM 504 CD1 LEU A 36 -1.675 5.360 0.087 1.00 0.00 C ATOM 505 CD2 LEU A 36 -2.804 3.161 -0.301 1.00 0.00 C ATOM 0 H LEU A 36 -4.752 6.551 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.132 6.897 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.073 5.459 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.728 4.355 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.402 4.097 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.924 4.848 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.221 6.219 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.486 5.699 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.037 2.680 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.644 3.444 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.146 2.467 -1.069 1.00 0.00 H new ATOM 517 N THR A 37 -0.773 6.231 -4.019 1.00 0.00 N ATOM 518 CA THR A 37 0.084 5.812 -5.121 1.00 0.00 C ATOM 519 C THR A 37 1.340 5.117 -4.606 1.00 0.00 C ATOM 520 O THR A 37 2.010 5.616 -3.702 1.00 0.00 O ATOM 521 CB THR A 37 0.496 7.009 -5.998 1.00 0.00 C ATOM 522 OG1 THR A 37 -0.627 7.871 -6.209 1.00 0.00 O ATOM 523 CG2 THR A 37 1.038 6.536 -7.339 1.00 0.00 C ATOM 0 H THR A 37 -0.349 6.914 -3.391 1.00 0.00 H new ATOM 0 HA THR A 37 -0.494 5.112 -5.724 1.00 0.00 H new ATOM 0 HB THR A 37 1.282 7.558 -5.479 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.356 8.630 -6.766 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.322 7.399 -7.941 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.911 5.904 -7.176 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.270 5.966 -7.862 1.00 0.00 H new ATOM 531 N TRP A 38 1.653 3.965 -5.188 1.00 0.00 N ATOM 532 CA TRP A 38 2.830 3.202 -4.788 1.00 0.00 C ATOM 533 C TRP A 38 3.570 2.663 -6.007 1.00 0.00 C ATOM 534 O TRP A 38 2.989 2.518 -7.083 1.00 0.00 O ATOM 535 CB TRP A 38 2.427 2.047 -3.870 1.00 0.00 C ATOM 536 CG TRP A 38 1.488 1.074 -4.516 1.00 0.00 C ATOM 537 CD1 TRP A 38 1.827 -0.019 -5.262 1.00 0.00 C ATOM 538 CD2 TRP A 38 0.057 1.107 -4.475 1.00 0.00 C ATOM 539 NE1 TRP A 38 0.692 -0.667 -5.688 1.00 0.00 N ATOM 540 CE2 TRP A 38 -0.406 0.003 -5.218 1.00 0.00 C ATOM 541 CE3 TRP A 38 -0.877 1.960 -3.883 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.762 -0.266 -5.382 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -2.223 1.691 -4.047 1.00 0.00 C ATOM 544 CH2 TRP A 38 -2.655 0.585 -4.791 1.00 0.00 C ATOM 0 H TRP A 38 1.109 3.539 -5.938 1.00 0.00 H new ATOM 0 HA TRP A 38 3.499 3.871 -4.247 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.324 1.517 -3.550 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.959 2.452 -2.973 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.838 -0.328 -5.484 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.671 -1.510 -6.261 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.553 2.815 -3.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.097 -1.117 -5.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.954 2.344 -3.594 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.714 0.401 -4.900 1.00 0.00 H new ATOM 555 N SER A 39 4.854 2.369 -5.833 1.00 0.00 N ATOM 556 CA SER A 39 5.674 1.849 -6.921 1.00 0.00 C ATOM 557 C SER A 39 5.801 0.332 -6.829 1.00 0.00 C ATOM 558 O SER A 39 5.701 -0.262 -5.755 1.00 0.00 O ATOM 559 CB SER A 39 7.063 2.491 -6.893 1.00 0.00 C ATOM 560 OG SER A 39 8.043 1.607 -7.408 1.00 0.00 O ATOM 0 H SER A 39 5.349 2.482 -4.949 1.00 0.00 H new ATOM 0 HA SER A 39 5.185 2.099 -7.863 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.054 3.410 -7.479 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.319 2.767 -5.870 1.00 0.00 H new ATOM 0 HG SER A 39 8.473 2.015 -8.188 1.00 0.00 H new ATOM 566 N PRO A 40 6.026 -0.313 -7.983 1.00 0.00 N ATOM 567 CA PRO A 40 6.171 -1.770 -8.061 1.00 0.00 C ATOM 568 C PRO A 40 7.467 -2.258 -7.422 1.00 0.00 C ATOM 569 O PRO A 40 8.431 -1.508 -7.266 1.00 0.00 O ATOM 570 CB PRO A 40 6.180 -2.046 -9.567 1.00 0.00 C ATOM 571 CG PRO A 40 6.666 -0.779 -10.181 1.00 0.00 C ATOM 572 CD PRO A 40 6.156 0.330 -9.302 1.00 0.00 C ATOM 0 HA PRO A 40 5.376 -2.288 -7.524 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.835 -2.882 -9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.185 -2.305 -9.928 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.755 -0.764 -10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.294 -0.672 -11.200 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.849 1.171 -9.273 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.201 0.717 -9.657 1.00 0.00 H new ATOM 580 N PRO A 41 7.494 -3.544 -7.044 1.00 0.00 N ATOM 581 CA PRO A 41 8.666 -4.161 -6.417 1.00 0.00 C ATOM 582 C PRO A 41 9.828 -4.322 -7.392 1.00 0.00 C ATOM 583 O PRO A 41 9.630 -4.358 -8.606 1.00 0.00 O ATOM 584 CB PRO A 41 8.150 -5.531 -5.969 1.00 0.00 C ATOM 585 CG PRO A 41 7.012 -5.824 -6.884 1.00 0.00 C ATOM 586 CD PRO A 41 6.381 -4.496 -7.199 1.00 0.00 C ATOM 0 HA PRO A 41 9.060 -3.552 -5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.927 -6.292 -6.047 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.826 -5.511 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.359 -6.317 -7.792 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.294 -6.495 -6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.972 -4.475 -8.209 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.561 -4.269 -6.518 1.00 0.00 H new ATOM 594 N SER A 42 11.038 -4.419 -6.852 1.00 0.00 N ATOM 595 CA SER A 42 12.232 -4.574 -7.675 1.00 0.00 C ATOM 596 C SER A 42 12.674 -6.033 -7.724 1.00 0.00 C ATOM 597 O SER A 42 12.917 -6.654 -6.690 1.00 0.00 O ATOM 598 CB SER A 42 13.367 -3.703 -7.133 1.00 0.00 C ATOM 599 OG SER A 42 13.029 -2.328 -7.192 1.00 0.00 O ATOM 0 H SER A 42 11.218 -4.393 -5.848 1.00 0.00 H new ATOM 0 HA SER A 42 11.989 -4.253 -8.688 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.584 -3.983 -6.102 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.274 -3.883 -7.710 1.00 0.00 H new ATOM 0 HG SER A 42 13.770 -1.793 -6.838 1.00 0.00 H new ATOM 605 N SER A 43 12.775 -6.574 -8.934 1.00 0.00 N ATOM 606 CA SER A 43 13.183 -7.962 -9.119 1.00 0.00 C ATOM 607 C SER A 43 14.635 -8.162 -8.694 1.00 0.00 C ATOM 608 O SER A 43 15.520 -7.403 -9.090 1.00 0.00 O ATOM 609 CB SER A 43 13.006 -8.377 -10.581 1.00 0.00 C ATOM 610 OG SER A 43 13.933 -7.708 -11.417 1.00 0.00 O ATOM 0 H SER A 43 12.580 -6.073 -9.801 1.00 0.00 H new ATOM 0 HA SER A 43 12.549 -8.588 -8.492 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.139 -9.455 -10.675 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.990 -8.152 -10.906 1.00 0.00 H new ATOM 0 HG SER A 43 13.800 -7.992 -12.346 1.00 0.00 H new ATOM 616 N LEU A 44 14.871 -9.190 -7.886 1.00 0.00 N ATOM 617 CA LEU A 44 16.215 -9.492 -7.406 1.00 0.00 C ATOM 618 C LEU A 44 16.842 -10.621 -8.217 1.00 0.00 C ATOM 619 O LEU A 44 17.789 -11.268 -7.770 1.00 0.00 O ATOM 620 CB LEU A 44 16.176 -9.874 -5.925 1.00 0.00 C ATOM 621 CG LEU A 44 15.482 -8.879 -4.994 1.00 0.00 C ATOM 622 CD1 LEU A 44 15.426 -9.426 -3.576 1.00 0.00 C ATOM 623 CD2 LEU A 44 16.195 -7.535 -5.022 1.00 0.00 C ATOM 0 H LEU A 44 14.150 -9.828 -7.550 1.00 0.00 H new ATOM 0 HA LEU A 44 16.827 -8.598 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 44 15.676 -10.838 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.200 -10.012 -5.579 1.00 0.00 H new ATOM 0 HG LEU A 44 14.461 -8.732 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.929 -8.705 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.870 -10.364 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 44 16.439 -9.602 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.687 -6.840 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 44 17.227 -7.664 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 44 16.182 -7.137 -6.037 1.00 0.00 H new ATOM 635 N ILE A 45 16.310 -10.849 -9.413 1.00 0.00 N ATOM 636 CA ILE A 45 16.820 -11.897 -10.288 1.00 0.00 C ATOM 637 C ILE A 45 18.222 -11.564 -10.786 1.00 0.00 C ATOM 638 O ILE A 45 18.842 -12.352 -11.500 1.00 0.00 O ATOM 639 CB ILE A 45 15.896 -12.118 -11.500 1.00 0.00 C ATOM 640 CG1 ILE A 45 14.436 -12.197 -11.048 1.00 0.00 C ATOM 641 CG2 ILE A 45 16.294 -13.382 -12.247 1.00 0.00 C ATOM 642 CD1 ILE A 45 14.184 -13.261 -10.003 1.00 0.00 C ATOM 0 H ILE A 45 15.526 -10.322 -9.798 1.00 0.00 H new ATOM 0 HA ILE A 45 16.855 -12.812 -9.697 1.00 0.00 H new ATOM 0 HB ILE A 45 16.002 -11.271 -12.178 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.135 -11.229 -10.649 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.806 -12.394 -11.915 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.631 -13.524 -13.101 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.322 -13.289 -12.597 1.00 0.00 H new ATOM 0 HG23 ILE A 45 16.214 -14.240 -11.579 1.00 0.00 H new ATOM 0 HD11 ILE A 45 13.129 -13.260 -9.730 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.454 -14.237 -10.406 1.00 0.00 H new ATOM 0 HD13 ILE A 45 14.788 -13.053 -9.120 1.00 0.00 H new ATOM 654 N ASN A 46 18.717 -10.391 -10.404 1.00 0.00 N ATOM 655 CA ASN A 46 20.047 -9.953 -10.810 1.00 0.00 C ATOM 656 C ASN A 46 20.069 -9.583 -12.290 1.00 0.00 C ATOM 657 O ASN A 46 21.112 -9.641 -12.940 1.00 0.00 O ATOM 658 CB ASN A 46 21.075 -11.052 -10.533 1.00 0.00 C ATOM 659 CG ASN A 46 20.849 -11.731 -9.196 1.00 0.00 C ATOM 660 OD1 ASN A 46 20.755 -12.956 -9.117 1.00 0.00 O ATOM 661 ND2 ASN A 46 20.761 -10.936 -8.136 1.00 0.00 N ATOM 0 H ASN A 46 18.216 -9.727 -9.814 1.00 0.00 H new ATOM 0 HA ASN A 46 20.305 -9.068 -10.228 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.030 -11.797 -11.328 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.077 -10.623 -10.555 1.00 0.00 H new ATOM 0 HD21 ASN A 46 20.610 -11.336 -7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 46 20.845 -9.926 -8.248 1.00 0.00 H new ATOM 668 N GLY A 47 18.909 -9.201 -12.817 1.00 0.00 N ATOM 669 CA GLY A 47 18.817 -8.826 -14.215 1.00 0.00 C ATOM 670 C GLY A 47 18.865 -10.026 -15.141 1.00 0.00 C ATOM 671 O GLY A 47 18.663 -9.894 -16.348 1.00 0.00 O ATOM 0 H GLY A 47 18.032 -9.145 -12.300 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.889 -8.279 -14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.634 -8.148 -14.461 1.00 0.00 H new ATOM 675 N GLU A 48 19.135 -11.198 -14.576 1.00 0.00 N ATOM 676 CA GLU A 48 19.211 -12.425 -15.360 1.00 0.00 C ATOM 677 C GLU A 48 17.881 -12.714 -16.049 1.00 0.00 C ATOM 678 O GLU A 48 17.826 -13.443 -17.040 1.00 0.00 O ATOM 679 CB GLU A 48 19.604 -13.604 -14.468 1.00 0.00 C ATOM 680 CG GLU A 48 20.368 -14.694 -15.200 1.00 0.00 C ATOM 681 CD GLU A 48 19.464 -15.585 -16.029 1.00 0.00 C ATOM 682 OE1 GLU A 48 18.358 -15.915 -15.551 1.00 0.00 O ATOM 683 OE2 GLU A 48 19.861 -15.951 -17.155 1.00 0.00 O ATOM 0 H GLU A 48 19.305 -11.324 -13.578 1.00 0.00 H new ATOM 0 HA GLU A 48 19.975 -12.289 -16.126 1.00 0.00 H new ATOM 0 HB2 GLU A 48 20.214 -13.237 -13.643 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.703 -14.034 -14.031 1.00 0.00 H new ATOM 0 HG2 GLU A 48 21.114 -14.236 -15.849 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.907 -15.304 -14.475 1.00 0.00 H new ATOM 690 N THR A 49 16.808 -12.138 -15.515 1.00 0.00 N ATOM 691 CA THR A 49 15.477 -12.334 -16.075 1.00 0.00 C ATOM 692 C THR A 49 15.156 -11.268 -17.117 1.00 0.00 C ATOM 693 O THR A 49 15.785 -10.211 -17.151 1.00 0.00 O ATOM 694 CB THR A 49 14.396 -12.306 -14.978 1.00 0.00 C ATOM 695 OG1 THR A 49 13.177 -12.870 -15.476 1.00 0.00 O ATOM 696 CG2 THR A 49 14.144 -10.883 -14.503 1.00 0.00 C ATOM 0 H THR A 49 16.835 -11.532 -14.695 1.00 0.00 H new ATOM 0 HA THR A 49 15.476 -13.315 -16.551 1.00 0.00 H new ATOM 0 HB THR A 49 14.751 -12.897 -14.134 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.496 -12.850 -14.772 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.377 -10.888 -13.729 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.066 -10.466 -14.098 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.808 -10.273 -15.342 1.00 0.00 H new ATOM 704 N ASP A 50 14.172 -11.553 -17.963 1.00 0.00 N ATOM 705 CA ASP A 50 13.766 -10.617 -19.006 1.00 0.00 C ATOM 706 C ASP A 50 12.652 -9.700 -18.509 1.00 0.00 C ATOM 707 O ASP A 50 11.987 -9.998 -17.518 1.00 0.00 O ATOM 708 CB ASP A 50 13.303 -11.376 -20.250 1.00 0.00 C ATOM 709 CG ASP A 50 12.366 -12.520 -19.915 1.00 0.00 C ATOM 710 OD1 ASP A 50 12.835 -13.520 -19.332 1.00 0.00 O ATOM 711 OD2 ASP A 50 11.164 -12.415 -20.235 1.00 0.00 O ATOM 0 H ASP A 50 13.641 -12.424 -17.947 1.00 0.00 H new ATOM 0 HA ASP A 50 14.629 -10.003 -19.265 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.801 -10.685 -20.927 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.173 -11.766 -20.779 1.00 0.00 H new ATOM 716 N GLU A 51 12.457 -8.584 -19.205 1.00 0.00 N ATOM 717 CA GLU A 51 11.424 -7.624 -18.832 1.00 0.00 C ATOM 718 C GLU A 51 10.037 -8.155 -19.180 1.00 0.00 C ATOM 719 O GLU A 51 9.025 -7.624 -18.722 1.00 0.00 O ATOM 720 CB GLU A 51 11.663 -6.287 -19.536 1.00 0.00 C ATOM 721 CG GLU A 51 12.880 -5.537 -19.022 1.00 0.00 C ATOM 722 CD GLU A 51 12.906 -4.089 -19.472 1.00 0.00 C ATOM 723 OE1 GLU A 51 12.169 -3.271 -18.882 1.00 0.00 O ATOM 724 OE2 GLU A 51 13.662 -3.773 -20.414 1.00 0.00 O ATOM 0 H GLU A 51 12.999 -8.323 -20.028 1.00 0.00 H new ATOM 0 HA GLU A 51 11.475 -7.473 -17.754 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.781 -6.465 -20.605 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.781 -5.659 -19.413 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.892 -5.575 -17.933 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.784 -6.038 -19.369 1.00 0.00 H new ATOM 731 N SER A 52 9.998 -9.205 -19.994 1.00 0.00 N ATOM 732 CA SER A 52 8.735 -9.805 -20.408 1.00 0.00 C ATOM 733 C SER A 52 8.498 -11.126 -19.683 1.00 0.00 C ATOM 734 O SER A 52 7.850 -12.029 -20.211 1.00 0.00 O ATOM 735 CB SER A 52 8.726 -10.032 -21.921 1.00 0.00 C ATOM 736 OG SER A 52 8.605 -8.806 -22.620 1.00 0.00 O ATOM 0 H SER A 52 10.827 -9.658 -20.380 1.00 0.00 H new ATOM 0 HA SER A 52 7.931 -9.117 -20.146 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.644 -10.536 -22.222 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.899 -10.690 -22.188 1.00 0.00 H new ATOM 0 HG SER A 52 8.603 -8.978 -23.585 1.00 0.00 H new ATOM 742 N SER A 53 9.029 -11.231 -18.469 1.00 0.00 N ATOM 743 CA SER A 53 8.879 -12.442 -17.671 1.00 0.00 C ATOM 744 C SER A 53 8.195 -12.136 -16.342 1.00 0.00 C ATOM 745 O SER A 53 7.301 -12.862 -15.909 1.00 0.00 O ATOM 746 CB SER A 53 10.244 -13.084 -17.419 1.00 0.00 C ATOM 747 OG SER A 53 10.576 -13.999 -18.449 1.00 0.00 O ATOM 0 H SER A 53 9.567 -10.492 -18.017 1.00 0.00 H new ATOM 0 HA SER A 53 8.254 -13.140 -18.229 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.008 -12.309 -17.357 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.235 -13.600 -16.459 1.00 0.00 H new ATOM 0 HG SER A 53 11.542 -14.162 -18.443 1.00 0.00 H new ATOM 753 N VAL A 54 8.624 -11.054 -15.698 1.00 0.00 N ATOM 754 CA VAL A 54 8.053 -10.650 -14.419 1.00 0.00 C ATOM 755 C VAL A 54 6.693 -9.987 -14.608 1.00 0.00 C ATOM 756 O VAL A 54 6.539 -9.038 -15.378 1.00 0.00 O ATOM 757 CB VAL A 54 8.986 -9.679 -13.670 1.00 0.00 C ATOM 758 CG1 VAL A 54 10.300 -10.362 -13.323 1.00 0.00 C ATOM 759 CG2 VAL A 54 9.229 -8.428 -14.501 1.00 0.00 C ATOM 0 H VAL A 54 9.365 -10.442 -16.041 1.00 0.00 H new ATOM 0 HA VAL A 54 7.932 -11.557 -13.826 1.00 0.00 H new ATOM 0 HB VAL A 54 8.502 -9.382 -12.740 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.946 -9.661 -12.795 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.104 -11.225 -12.687 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.793 -10.690 -14.238 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.890 -7.753 -13.957 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.692 -8.705 -15.448 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.279 -7.929 -14.694 1.00 0.00 H new ATOM 769 N PRO A 55 5.682 -10.497 -13.890 1.00 0.00 N ATOM 770 CA PRO A 55 4.316 -9.969 -13.961 1.00 0.00 C ATOM 771 C PRO A 55 4.196 -8.585 -13.331 1.00 0.00 C ATOM 772 O PRO A 55 5.012 -8.203 -12.493 1.00 0.00 O ATOM 773 CB PRO A 55 3.499 -10.991 -13.167 1.00 0.00 C ATOM 774 CG PRO A 55 4.476 -11.610 -12.228 1.00 0.00 C ATOM 775 CD PRO A 55 5.793 -11.627 -12.953 1.00 0.00 C ATOM 0 HA PRO A 55 3.981 -9.842 -14.990 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.681 -10.512 -12.628 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.053 -11.738 -13.824 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.547 -11.036 -11.304 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.168 -12.619 -11.954 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.631 -11.499 -12.267 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.951 -12.570 -13.477 1.00 0.00 H new ATOM 783 N GLU A 56 3.174 -7.840 -13.740 1.00 0.00 N ATOM 784 CA GLU A 56 2.948 -6.499 -13.214 1.00 0.00 C ATOM 785 C GLU A 56 1.570 -6.392 -12.568 1.00 0.00 C ATOM 786 O GLU A 56 1.080 -5.294 -12.302 1.00 0.00 O ATOM 787 CB GLU A 56 3.082 -5.461 -14.330 1.00 0.00 C ATOM 788 CG GLU A 56 1.950 -5.506 -15.342 1.00 0.00 C ATOM 789 CD GLU A 56 2.304 -4.815 -16.645 1.00 0.00 C ATOM 790 OE1 GLU A 56 2.699 -3.631 -16.601 1.00 0.00 O ATOM 791 OE2 GLU A 56 2.188 -5.460 -17.708 1.00 0.00 O ATOM 0 H GLU A 56 2.490 -8.142 -14.434 1.00 0.00 H new ATOM 0 HA GLU A 56 3.703 -6.303 -12.452 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.122 -4.466 -13.886 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.028 -5.617 -14.848 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.690 -6.545 -15.545 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.066 -5.034 -14.914 1.00 0.00 H new ATOM 798 N LEU A 57 0.950 -7.540 -12.318 1.00 0.00 N ATOM 799 CA LEU A 57 -0.373 -7.577 -11.704 1.00 0.00 C ATOM 800 C LEU A 57 -0.274 -7.912 -10.219 1.00 0.00 C ATOM 801 O LEU A 57 -1.250 -8.341 -9.603 1.00 0.00 O ATOM 802 CB LEU A 57 -1.257 -8.605 -12.412 1.00 0.00 C ATOM 803 CG LEU A 57 -1.527 -8.349 -13.895 1.00 0.00 C ATOM 804 CD1 LEU A 57 -1.872 -6.886 -14.131 1.00 0.00 C ATOM 805 CD2 LEU A 57 -0.325 -8.757 -14.734 1.00 0.00 C ATOM 0 H LEU A 57 1.342 -8.457 -12.531 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.822 -6.589 -11.806 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.791 -9.585 -12.312 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.214 -8.652 -11.892 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.380 -8.956 -14.199 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.061 -6.723 -15.192 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.763 -6.626 -13.560 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.040 -6.260 -13.810 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.535 -8.568 -15.787 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.546 -8.178 -14.428 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.124 -9.818 -14.589 1.00 0.00 H new ATOM 817 N TYR A 58 0.910 -7.711 -9.650 1.00 0.00 N ATOM 818 CA TYR A 58 1.136 -7.992 -8.237 1.00 0.00 C ATOM 819 C TYR A 58 -0.027 -7.488 -7.389 1.00 0.00 C ATOM 820 O TYR A 58 -0.127 -6.298 -7.095 1.00 0.00 O ATOM 821 CB TYR A 58 2.441 -7.344 -7.770 1.00 0.00 C ATOM 822 CG TYR A 58 3.663 -7.844 -8.507 1.00 0.00 C ATOM 823 CD1 TYR A 58 3.952 -9.201 -8.574 1.00 0.00 C ATOM 824 CD2 TYR A 58 4.527 -6.958 -9.139 1.00 0.00 C ATOM 825 CE1 TYR A 58 5.068 -9.661 -9.246 1.00 0.00 C ATOM 826 CE2 TYR A 58 5.644 -7.409 -9.815 1.00 0.00 C ATOM 827 CZ TYR A 58 5.911 -8.762 -9.865 1.00 0.00 C ATOM 828 OH TYR A 58 7.022 -9.216 -10.536 1.00 0.00 O ATOM 0 H TYR A 58 1.727 -7.355 -10.145 1.00 0.00 H new ATOM 0 HA TYR A 58 1.210 -9.073 -8.114 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.367 -6.264 -7.898 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.568 -7.531 -6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.293 -9.908 -8.093 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.322 -5.898 -9.101 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.279 -10.719 -9.286 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.305 -6.707 -10.302 1.00 0.00 H new ATOM 0 HH TYR A 58 7.776 -8.613 -10.366 1.00 0.00 H new ATOM 838 N GLY A 59 -0.906 -8.406 -6.997 1.00 0.00 N ATOM 839 CA GLY A 59 -2.051 -8.038 -6.185 1.00 0.00 C ATOM 840 C GLY A 59 -1.668 -7.174 -5.000 1.00 0.00 C ATOM 841 O GLY A 59 -1.135 -7.671 -4.007 1.00 0.00 O ATOM 0 H GLY A 59 -0.845 -9.398 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.773 -7.503 -6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.544 -8.942 -5.827 1.00 0.00 H new ATOM 845 N TYR A 60 -1.938 -5.877 -5.103 1.00 0.00 N ATOM 846 CA TYR A 60 -1.613 -4.942 -4.033 1.00 0.00 C ATOM 847 C TYR A 60 -2.811 -4.732 -3.111 1.00 0.00 C ATOM 848 O TYR A 60 -3.866 -4.267 -3.543 1.00 0.00 O ATOM 849 CB TYR A 60 -1.164 -3.601 -4.617 1.00 0.00 C ATOM 850 CG TYR A 60 0.013 -3.715 -5.559 1.00 0.00 C ATOM 851 CD1 TYR A 60 1.305 -3.872 -5.071 1.00 0.00 C ATOM 852 CD2 TYR A 60 -0.166 -3.666 -6.936 1.00 0.00 C ATOM 853 CE1 TYR A 60 2.384 -3.976 -5.928 1.00 0.00 C ATOM 854 CE2 TYR A 60 0.907 -3.770 -7.799 1.00 0.00 C ATOM 855 CZ TYR A 60 2.180 -3.925 -7.291 1.00 0.00 C ATOM 856 OH TYR A 60 3.251 -4.028 -8.148 1.00 0.00 O ATOM 0 H TYR A 60 -2.381 -5.450 -5.916 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.797 -5.368 -3.449 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.001 -3.147 -5.148 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.901 -2.928 -3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.468 -3.913 -4.004 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.161 -3.545 -7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.382 -4.097 -5.533 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.750 -3.730 -8.867 1.00 0.00 H new ATOM 0 HH TYR A 60 2.935 -3.974 -9.074 1.00 0.00 H new ATOM 866 N GLU A 61 -2.639 -5.078 -1.839 1.00 0.00 N ATOM 867 CA GLU A 61 -3.705 -4.928 -0.856 1.00 0.00 C ATOM 868 C GLU A 61 -3.377 -3.817 0.138 1.00 0.00 C ATOM 869 O GLU A 61 -2.273 -3.761 0.680 1.00 0.00 O ATOM 870 CB GLU A 61 -3.931 -6.245 -0.110 1.00 0.00 C ATOM 871 CG GLU A 61 -4.770 -6.096 1.148 1.00 0.00 C ATOM 872 CD GLU A 61 -5.206 -7.431 1.719 1.00 0.00 C ATOM 873 OE1 GLU A 61 -4.399 -8.065 2.429 1.00 0.00 O ATOM 874 OE2 GLU A 61 -6.356 -7.841 1.456 1.00 0.00 O ATOM 0 H GLU A 61 -1.772 -5.464 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.618 -4.659 -1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.419 -6.953 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.964 -6.672 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.198 -5.553 1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.652 -5.496 0.923 1.00 0.00 H new ATOM 881 N VAL A 62 -4.343 -2.935 0.371 1.00 0.00 N ATOM 882 CA VAL A 62 -4.158 -1.826 1.299 1.00 0.00 C ATOM 883 C VAL A 62 -4.587 -2.213 2.710 1.00 0.00 C ATOM 884 O VAL A 62 -5.652 -2.798 2.909 1.00 0.00 O ATOM 885 CB VAL A 62 -4.954 -0.584 0.855 1.00 0.00 C ATOM 886 CG1 VAL A 62 -4.792 0.543 1.864 1.00 0.00 C ATOM 887 CG2 VAL A 62 -4.514 -0.137 -0.531 1.00 0.00 C ATOM 0 H VAL A 62 -5.262 -2.967 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.095 -1.586 1.298 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.010 -0.848 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.361 1.412 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.160 0.216 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.738 0.809 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.087 0.741 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.453 0.110 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.687 -0.942 -1.245 1.00 0.00 H new ATOM 897 N LEU A 63 -3.750 -1.883 3.688 1.00 0.00 N ATOM 898 CA LEU A 63 -4.042 -2.195 5.082 1.00 0.00 C ATOM 899 C LEU A 63 -3.940 -0.947 5.953 1.00 0.00 C ATOM 900 O LEU A 63 -2.895 -0.298 6.006 1.00 0.00 O ATOM 901 CB LEU A 63 -3.082 -3.269 5.597 1.00 0.00 C ATOM 902 CG LEU A 63 -2.798 -4.429 4.642 1.00 0.00 C ATOM 903 CD1 LEU A 63 -1.558 -5.191 5.082 1.00 0.00 C ATOM 904 CD2 LEU A 63 -3.999 -5.360 4.561 1.00 0.00 C ATOM 0 H LEU A 63 -2.864 -1.400 3.541 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.063 -2.572 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.135 -2.791 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.488 -3.678 6.522 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.614 -4.020 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.372 -6.013 4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.700 -4.519 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.712 -5.589 6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.779 -6.179 3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.215 -5.762 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.865 -4.806 4.197 1.00 0.00 H new ATOM 916 N ILE A 64 -5.032 -0.617 6.635 1.00 0.00 N ATOM 917 CA ILE A 64 -5.064 0.552 7.506 1.00 0.00 C ATOM 918 C ILE A 64 -5.582 0.189 8.894 1.00 0.00 C ATOM 919 O ILE A 64 -6.277 -0.812 9.066 1.00 0.00 O ATOM 920 CB ILE A 64 -5.946 1.668 6.917 1.00 0.00 C ATOM 921 CG1 ILE A 64 -7.408 1.222 6.869 1.00 0.00 C ATOM 922 CG2 ILE A 64 -5.457 2.052 5.528 1.00 0.00 C ATOM 923 CD1 ILE A 64 -8.363 2.321 6.459 1.00 0.00 C ATOM 0 H ILE A 64 -5.906 -1.142 6.601 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.039 0.914 7.586 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.875 2.544 7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.503 0.390 6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.698 0.848 7.851 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.091 2.842 5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.429 2.408 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.501 1.182 4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.381 1.932 6.447 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.297 3.144 7.170 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.100 2.679 5.464 1.00 0.00 H new ATOM 935 N SER A 65 -5.240 1.012 9.880 1.00 0.00 N ATOM 936 CA SER A 65 -5.668 0.777 11.254 1.00 0.00 C ATOM 937 C SER A 65 -5.838 2.095 12.003 1.00 0.00 C ATOM 938 O SER A 65 -4.876 2.837 12.202 1.00 0.00 O ATOM 939 CB SER A 65 -4.656 -0.110 11.982 1.00 0.00 C ATOM 940 OG SER A 65 -4.955 -0.195 13.365 1.00 0.00 O ATOM 0 H SER A 65 -4.668 1.847 9.753 1.00 0.00 H new ATOM 0 HA SER A 65 -6.632 0.268 11.226 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.661 -1.108 11.544 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.652 0.292 11.848 1.00 0.00 H new ATOM 0 HG SER A 65 -4.122 -0.182 13.881 1.00 0.00 H new ATOM 946 N SER A 66 -7.069 2.380 12.416 1.00 0.00 N ATOM 947 CA SER A 66 -7.366 3.611 13.140 1.00 0.00 C ATOM 948 C SER A 66 -6.987 3.480 14.612 1.00 0.00 C ATOM 949 O SER A 66 -6.665 4.468 15.273 1.00 0.00 O ATOM 950 CB SER A 66 -8.852 3.955 13.013 1.00 0.00 C ATOM 951 OG SER A 66 -9.646 3.085 13.801 1.00 0.00 O ATOM 0 H SER A 66 -7.876 1.776 12.262 1.00 0.00 H new ATOM 0 HA SER A 66 -6.775 4.414 12.701 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.018 4.986 13.325 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.157 3.885 11.969 1.00 0.00 H new ATOM 0 HG SER A 66 -10.591 3.327 13.704 1.00 0.00 H new ATOM 957 N THR A 67 -7.027 2.253 15.121 1.00 0.00 N ATOM 958 CA THR A 67 -6.689 1.991 16.514 1.00 0.00 C ATOM 959 C THR A 67 -5.225 2.310 16.794 1.00 0.00 C ATOM 960 O THR A 67 -4.910 3.090 17.691 1.00 0.00 O ATOM 961 CB THR A 67 -6.965 0.524 16.893 1.00 0.00 C ATOM 962 OG1 THR A 67 -8.345 0.212 16.671 1.00 0.00 O ATOM 963 CG2 THR A 67 -6.610 0.266 18.350 1.00 0.00 C ATOM 0 H THR A 67 -7.291 1.424 14.588 1.00 0.00 H new ATOM 0 HA THR A 67 -7.321 2.640 17.120 1.00 0.00 H new ATOM 0 HB THR A 67 -6.343 -0.114 16.265 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.512 -0.723 16.913 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.813 -0.777 18.595 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.553 0.477 18.510 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.210 0.913 18.991 1.00 0.00 H new ATOM 971 N GLY A 68 -4.333 1.701 16.018 1.00 0.00 N ATOM 972 CA GLY A 68 -2.912 1.933 16.198 1.00 0.00 C ATOM 973 C GLY A 68 -2.071 1.213 15.164 1.00 0.00 C ATOM 974 O GLY A 68 -2.487 0.193 14.614 1.00 0.00 O ATOM 0 H GLY A 68 -4.569 1.051 15.268 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.712 3.003 16.143 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.617 1.604 17.194 1.00 0.00 H new ATOM 978 N LYS A 69 -0.883 1.745 14.895 1.00 0.00 N ATOM 979 CA LYS A 69 0.020 1.147 13.918 1.00 0.00 C ATOM 980 C LYS A 69 0.468 -0.240 14.369 1.00 0.00 C ATOM 981 O LYS A 69 0.765 -1.105 13.545 1.00 0.00 O ATOM 982 CB LYS A 69 1.241 2.044 13.706 1.00 0.00 C ATOM 983 CG LYS A 69 2.053 1.685 12.474 1.00 0.00 C ATOM 984 CD LYS A 69 3.520 2.042 12.649 1.00 0.00 C ATOM 985 CE LYS A 69 3.807 3.462 12.185 1.00 0.00 C ATOM 986 NZ LYS A 69 5.265 3.699 11.993 1.00 0.00 N ATOM 0 H LYS A 69 -0.523 2.589 15.340 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.519 1.048 12.976 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.911 3.080 13.624 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.883 1.983 14.585 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.959 0.618 12.273 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.651 2.209 11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.798 1.937 13.698 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.136 1.342 12.084 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.282 3.651 11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.417 4.169 12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.419 4.678 11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.763 3.543 12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.632 3.042 11.276 1.00 0.00 H new ATOM 1000 N ASP A 70 0.512 -0.445 15.681 1.00 0.00 N ATOM 1001 CA ASP A 70 0.920 -1.728 16.241 1.00 0.00 C ATOM 1002 C ASP A 70 -0.293 -2.536 16.691 1.00 0.00 C ATOM 1003 O ASP A 70 -0.294 -3.124 17.772 1.00 0.00 O ATOM 1004 CB ASP A 70 1.872 -1.515 17.418 1.00 0.00 C ATOM 1005 CG ASP A 70 1.144 -1.120 18.688 1.00 0.00 C ATOM 1006 OD1 ASP A 70 0.552 -0.021 18.714 1.00 0.00 O ATOM 1007 OD2 ASP A 70 1.166 -1.909 19.655 1.00 0.00 O ATOM 0 H ASP A 70 0.270 0.261 16.376 1.00 0.00 H new ATOM 0 HA ASP A 70 1.437 -2.288 15.462 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.436 -2.431 17.596 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.595 -0.741 17.161 1.00 0.00 H new ATOM 1012 N GLY A 71 -1.326 -2.558 15.855 1.00 0.00 N ATOM 1013 CA GLY A 71 -2.532 -3.295 16.185 1.00 0.00 C ATOM 1014 C GLY A 71 -3.076 -4.076 15.005 1.00 0.00 C ATOM 1015 O GLY A 71 -2.338 -4.410 14.078 1.00 0.00 O ATOM 0 H GLY A 71 -1.350 -2.079 14.955 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.321 -3.982 17.005 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.293 -2.600 16.539 1.00 0.00 H new ATOM 1019 N LYS A 72 -4.371 -4.371 15.039 1.00 0.00 N ATOM 1020 CA LYS A 72 -5.015 -5.118 13.965 1.00 0.00 C ATOM 1021 C LYS A 72 -5.171 -4.254 12.718 1.00 0.00 C ATOM 1022 O LYS A 72 -5.258 -3.029 12.807 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.385 -5.627 14.420 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.242 -6.162 13.286 1.00 0.00 C ATOM 1025 CD LYS A 72 -8.602 -6.621 13.784 1.00 0.00 C ATOM 1026 CE LYS A 72 -9.500 -5.440 14.121 1.00 0.00 C ATOM 1027 NZ LYS A 72 -10.656 -5.846 14.967 1.00 0.00 N ATOM 0 H LYS A 72 -4.996 -4.104 15.800 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.381 -5.970 13.718 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.243 -6.415 15.160 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.918 -4.816 14.916 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.373 -5.387 12.531 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.730 -6.995 12.803 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.080 -7.238 13.023 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.475 -7.247 14.667 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.919 -4.679 14.641 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.866 -4.987 13.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.244 -5.013 15.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.225 -6.554 14.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.308 -6.255 15.858 1.00 0.00 H new ATOM 1041 N TYR A 73 -5.207 -4.899 11.558 1.00 0.00 N ATOM 1042 CA TYR A 73 -5.352 -4.188 10.293 1.00 0.00 C ATOM 1043 C TYR A 73 -6.512 -4.753 9.480 1.00 0.00 C ATOM 1044 O TYR A 73 -6.805 -5.948 9.540 1.00 0.00 O ATOM 1045 CB TYR A 73 -4.057 -4.276 9.483 1.00 0.00 C ATOM 1046 CG TYR A 73 -3.047 -3.209 9.838 1.00 0.00 C ATOM 1047 CD1 TYR A 73 -2.352 -3.255 11.041 1.00 0.00 C ATOM 1048 CD2 TYR A 73 -2.788 -2.154 8.972 1.00 0.00 C ATOM 1049 CE1 TYR A 73 -1.428 -2.281 11.370 1.00 0.00 C ATOM 1050 CE2 TYR A 73 -1.865 -1.177 9.292 1.00 0.00 C ATOM 1051 CZ TYR A 73 -1.188 -1.245 10.492 1.00 0.00 C ATOM 1052 OH TYR A 73 -0.269 -0.273 10.815 1.00 0.00 O ATOM 0 H TYR A 73 -5.138 -5.913 11.467 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.564 -3.142 10.516 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.607 -5.256 9.639 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.296 -4.200 8.422 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.537 -4.066 11.730 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.317 -2.097 8.032 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.897 -2.331 12.309 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.675 -0.365 8.606 1.00 0.00 H new ATOM 0 HH TYR A 73 0.175 -0.509 11.656 1.00 0.00 H new ATOM 1062 N LYS A 74 -7.171 -3.886 8.720 1.00 0.00 N ATOM 1063 CA LYS A 74 -8.300 -4.296 7.892 1.00 0.00 C ATOM 1064 C LYS A 74 -8.062 -3.933 6.430 1.00 0.00 C ATOM 1065 O LYS A 74 -7.374 -2.958 6.126 1.00 0.00 O ATOM 1066 CB LYS A 74 -9.589 -3.637 8.388 1.00 0.00 C ATOM 1067 CG LYS A 74 -10.624 -3.428 7.297 1.00 0.00 C ATOM 1068 CD LYS A 74 -12.030 -3.358 7.869 1.00 0.00 C ATOM 1069 CE LYS A 74 -12.378 -1.948 8.322 1.00 0.00 C ATOM 1070 NZ LYS A 74 -11.667 -1.577 9.576 1.00 0.00 N ATOM 0 H LYS A 74 -6.943 -2.894 8.660 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.400 -5.379 7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.023 -4.254 9.175 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.346 -2.673 8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.404 -2.507 6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.564 -4.243 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.747 -3.687 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.116 -4.044 8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.120 -1.240 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.454 -1.872 8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.261 -0.931 10.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.472 -2.434 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.770 -1.106 9.340 1.00 0.00 H new ATOM 1084 N SER A 75 -8.636 -4.722 5.528 1.00 0.00 N ATOM 1085 CA SER A 75 -8.485 -4.485 4.097 1.00 0.00 C ATOM 1086 C SER A 75 -9.535 -3.499 3.595 1.00 0.00 C ATOM 1087 O SER A 75 -10.711 -3.594 3.947 1.00 0.00 O ATOM 1088 CB SER A 75 -8.595 -5.802 3.326 1.00 0.00 C ATOM 1089 OG SER A 75 -9.850 -6.422 3.552 1.00 0.00 O ATOM 0 H SER A 75 -9.210 -5.532 5.763 1.00 0.00 H new ATOM 0 HA SER A 75 -7.498 -4.054 3.928 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.465 -5.615 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.793 -6.474 3.632 1.00 0.00 H new ATOM 0 HG SER A 75 -9.896 -7.261 3.047 1.00 0.00 H new ATOM 1095 N VAL A 76 -9.102 -2.551 2.770 1.00 0.00 N ATOM 1096 CA VAL A 76 -10.003 -1.547 2.218 1.00 0.00 C ATOM 1097 C VAL A 76 -10.106 -1.674 0.703 1.00 0.00 C ATOM 1098 O VAL A 76 -11.179 -1.498 0.126 1.00 0.00 O ATOM 1099 CB VAL A 76 -9.540 -0.121 2.573 1.00 0.00 C ATOM 1100 CG1 VAL A 76 -9.536 0.079 4.081 1.00 0.00 C ATOM 1101 CG2 VAL A 76 -8.164 0.153 1.986 1.00 0.00 C ATOM 0 H VAL A 76 -8.132 -2.457 2.469 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.983 -1.724 2.661 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.243 0.590 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.206 1.092 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.542 -0.073 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.856 -0.638 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.852 1.165 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.447 -0.563 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.205 0.054 0.901 1.00 0.00 H new ATOM 1111 N TYR A 77 -8.983 -1.981 0.063 1.00 0.00 N ATOM 1112 CA TYR A 77 -8.945 -2.130 -1.387 1.00 0.00 C ATOM 1113 C TYR A 77 -7.945 -3.207 -1.798 1.00 0.00 C ATOM 1114 O TYR A 77 -6.861 -3.316 -1.224 1.00 0.00 O ATOM 1115 CB TYR A 77 -8.581 -0.800 -2.048 1.00 0.00 C ATOM 1116 CG TYR A 77 -8.300 -0.917 -3.529 1.00 0.00 C ATOM 1117 CD1 TYR A 77 -7.081 -1.398 -3.990 1.00 0.00 C ATOM 1118 CD2 TYR A 77 -9.255 -0.547 -4.468 1.00 0.00 C ATOM 1119 CE1 TYR A 77 -6.821 -1.506 -5.342 1.00 0.00 C ATOM 1120 CE2 TYR A 77 -9.004 -0.652 -5.822 1.00 0.00 C ATOM 1121 CZ TYR A 77 -7.785 -1.132 -6.255 1.00 0.00 C ATOM 1122 OH TYR A 77 -7.530 -1.239 -7.602 1.00 0.00 O ATOM 0 H TYR A 77 -8.087 -2.132 0.526 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.937 -2.434 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.397 -0.093 -1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.703 -0.385 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.324 -1.693 -3.279 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.210 -0.171 -4.133 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.867 -1.881 -5.683 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.758 -0.360 -6.538 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.312 -0.936 -8.108 1.00 0.00 H new ATOM 1132 N VAL A 78 -8.318 -4.000 -2.797 1.00 0.00 N ATOM 1133 CA VAL A 78 -7.454 -5.068 -3.288 1.00 0.00 C ATOM 1134 C VAL A 78 -7.513 -5.167 -4.808 1.00 0.00 C ATOM 1135 O VAL A 78 -8.536 -5.545 -5.377 1.00 0.00 O ATOM 1136 CB VAL A 78 -7.843 -6.429 -2.681 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -6.936 -7.529 -3.210 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -7.791 -6.368 -1.162 1.00 0.00 C ATOM 0 H VAL A 78 -9.212 -3.924 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.438 -4.819 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.866 -6.661 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.226 -8.483 -2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.028 -7.587 -4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.902 -7.307 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.069 -7.338 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.780 -6.113 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.487 -5.609 -0.804 1.00 0.00 H new ATOM 1148 N GLY A 79 -6.407 -4.824 -5.462 1.00 0.00 N ATOM 1149 CA GLY A 79 -6.353 -4.881 -6.911 1.00 0.00 C ATOM 1150 C GLY A 79 -4.937 -5.025 -7.433 1.00 0.00 C ATOM 1151 O GLY A 79 -4.084 -5.618 -6.775 1.00 0.00 O ATOM 0 H GLY A 79 -5.547 -4.508 -5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.953 -5.721 -7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.799 -3.976 -7.324 1.00 0.00 H new ATOM 1155 N GLU A 80 -4.688 -4.481 -8.620 1.00 0.00 N ATOM 1156 CA GLU A 80 -3.366 -4.554 -9.231 1.00 0.00 C ATOM 1157 C GLU A 80 -2.854 -3.161 -9.587 1.00 0.00 C ATOM 1158 O GLU A 80 -1.647 -2.928 -9.638 1.00 0.00 O ATOM 1159 CB GLU A 80 -3.407 -5.430 -10.485 1.00 0.00 C ATOM 1160 CG GLU A 80 -3.941 -6.830 -10.232 1.00 0.00 C ATOM 1161 CD GLU A 80 -5.341 -6.823 -9.647 1.00 0.00 C ATOM 1162 OE1 GLU A 80 -6.233 -6.195 -10.254 1.00 0.00 O ATOM 1163 OE2 GLU A 80 -5.543 -7.446 -8.584 1.00 0.00 O ATOM 0 H GLU A 80 -5.384 -3.985 -9.177 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.683 -5.000 -8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.028 -4.944 -11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.402 -5.503 -10.900 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.945 -7.388 -11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.269 -7.354 -9.552 1.00 0.00 H new ATOM 1170 N GLU A 81 -3.781 -2.241 -9.834 1.00 0.00 N ATOM 1171 CA GLU A 81 -3.423 -0.872 -10.187 1.00 0.00 C ATOM 1172 C GLU A 81 -2.552 -0.241 -9.105 1.00 0.00 C ATOM 1173 O GLU A 81 -2.955 -0.143 -7.945 1.00 0.00 O ATOM 1174 CB GLU A 81 -4.683 -0.030 -10.399 1.00 0.00 C ATOM 1175 CG GLU A 81 -5.201 -0.058 -11.827 1.00 0.00 C ATOM 1176 CD GLU A 81 -6.698 0.166 -11.909 1.00 0.00 C ATOM 1177 OE1 GLU A 81 -7.446 -0.584 -11.248 1.00 0.00 O ATOM 1178 OE2 GLU A 81 -7.122 1.091 -12.633 1.00 0.00 O ATOM 0 H GLU A 81 -4.785 -2.418 -9.796 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.854 -0.901 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.466 -0.388 -9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.472 1.002 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.690 0.709 -12.410 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.956 -1.019 -12.280 1.00 0.00 H new ATOM 1185 N THR A 82 -1.353 0.185 -9.491 1.00 0.00 N ATOM 1186 CA THR A 82 -0.424 0.805 -8.555 1.00 0.00 C ATOM 1187 C THR A 82 -1.062 2.000 -7.857 1.00 0.00 C ATOM 1188 O THR A 82 -0.910 2.179 -6.649 1.00 0.00 O ATOM 1189 CB THR A 82 0.864 1.266 -9.264 1.00 0.00 C ATOM 1190 OG1 THR A 82 0.567 2.333 -10.171 1.00 0.00 O ATOM 1191 CG2 THR A 82 1.507 0.114 -10.021 1.00 0.00 C ATOM 0 H THR A 82 -1.003 0.112 -10.446 1.00 0.00 H new ATOM 0 HA THR A 82 -0.170 0.048 -7.813 1.00 0.00 H new ATOM 0 HB THR A 82 1.565 1.617 -8.506 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.390 2.622 -10.617 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.414 0.464 -10.513 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.758 -0.685 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.810 -0.263 -10.770 1.00 0.00 H new ATOM 1199 N ASN A 83 -1.777 2.815 -8.624 1.00 0.00 N ATOM 1200 CA ASN A 83 -2.439 3.994 -8.078 1.00 0.00 C ATOM 1201 C ASN A 83 -3.941 3.762 -7.944 1.00 0.00 C ATOM 1202 O ASN A 83 -4.624 3.468 -8.926 1.00 0.00 O ATOM 1203 CB ASN A 83 -2.178 5.211 -8.969 1.00 0.00 C ATOM 1204 CG ASN A 83 -3.306 6.222 -8.912 1.00 0.00 C ATOM 1205 OD1 ASN A 83 -3.598 6.715 -7.715 1.00 0.00 O flip ATOM 1206 ND2 ASN A 83 -3.907 6.556 -9.934 1.00 0.00 N flip ATOM 0 H ASN A 83 -1.913 2.681 -9.626 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.028 4.183 -7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.249 5.690 -8.662 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.041 4.881 -9.999 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.648 6.151 -10.833 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.664 7.238 -9.881 1.00 0.00 H new ATOM 1213 N ILE A 84 -4.449 3.897 -6.723 1.00 0.00 N ATOM 1214 CA ILE A 84 -5.869 3.703 -6.462 1.00 0.00 C ATOM 1215 C ILE A 84 -6.388 4.729 -5.459 1.00 0.00 C ATOM 1216 O ILE A 84 -5.611 5.384 -4.765 1.00 0.00 O ATOM 1217 CB ILE A 84 -6.155 2.288 -5.926 1.00 0.00 C ATOM 1218 CG1 ILE A 84 -5.870 2.221 -4.424 1.00 0.00 C ATOM 1219 CG2 ILE A 84 -5.322 1.259 -6.675 1.00 0.00 C ATOM 1220 CD1 ILE A 84 -7.069 2.559 -3.565 1.00 0.00 C ATOM 0 H ILE A 84 -3.898 4.140 -5.900 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.386 3.833 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.209 2.060 -6.088 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.524 1.218 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.058 2.907 -4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.536 0.264 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.569 1.293 -7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.263 1.481 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.793 2.491 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.402 3.573 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.876 1.857 -3.775 1.00 0.00 H new ATOM 1232 N THR A 85 -7.709 4.862 -5.387 1.00 0.00 N ATOM 1233 CA THR A 85 -8.333 5.807 -4.470 1.00 0.00 C ATOM 1234 C THR A 85 -9.060 5.081 -3.344 1.00 0.00 C ATOM 1235 O THR A 85 -9.842 4.161 -3.588 1.00 0.00 O ATOM 1236 CB THR A 85 -9.330 6.726 -5.201 1.00 0.00 C ATOM 1237 OG1 THR A 85 -8.621 7.698 -5.978 1.00 0.00 O ATOM 1238 CG2 THR A 85 -10.245 7.429 -4.210 1.00 0.00 C ATOM 0 H THR A 85 -8.367 4.327 -5.953 1.00 0.00 H new ATOM 0 HA THR A 85 -7.532 6.415 -4.050 1.00 0.00 H new ATOM 0 HB THR A 85 -9.941 6.111 -5.861 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.262 8.277 -6.441 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.940 8.072 -4.750 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.805 6.686 -3.641 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.647 8.033 -3.528 1.00 0.00 H new ATOM 1246 N LEU A 86 -8.799 5.500 -2.111 1.00 0.00 N ATOM 1247 CA LEU A 86 -9.430 4.890 -0.945 1.00 0.00 C ATOM 1248 C LEU A 86 -10.825 5.465 -0.718 1.00 0.00 C ATOM 1249 O LEU A 86 -11.101 6.609 -1.077 1.00 0.00 O ATOM 1250 CB LEU A 86 -8.568 5.108 0.299 1.00 0.00 C ATOM 1251 CG LEU A 86 -7.135 4.579 0.222 1.00 0.00 C ATOM 1252 CD1 LEU A 86 -6.319 5.075 1.407 1.00 0.00 C ATOM 1253 CD2 LEU A 86 -7.129 3.059 0.167 1.00 0.00 C ATOM 0 H LEU A 86 -8.155 6.260 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.523 3.820 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.529 6.177 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.063 4.636 1.147 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.677 4.957 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.302 4.689 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.295 6.165 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.775 4.727 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.101 2.701 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.605 2.661 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.677 2.725 -0.714 1.00 0.00 H new ATOM 1265 N ASN A 87 -11.699 4.664 -0.117 1.00 0.00 N ATOM 1266 CA ASN A 87 -13.065 5.094 0.160 1.00 0.00 C ATOM 1267 C ASN A 87 -13.596 4.433 1.428 1.00 0.00 C ATOM 1268 O ASN A 87 -13.078 3.407 1.870 1.00 0.00 O ATOM 1269 CB ASN A 87 -13.977 4.760 -1.022 1.00 0.00 C ATOM 1270 CG ASN A 87 -13.958 5.838 -2.089 1.00 0.00 C ATOM 1271 OD1 ASN A 87 -12.941 5.809 -2.942 1.00 0.00 O flip ATOM 1272 ND2 ASN A 87 -14.848 6.687 -2.145 1.00 0.00 N flip ATOM 0 H ASN A 87 -11.486 3.714 0.187 1.00 0.00 H new ATOM 0 HA ASN A 87 -13.056 6.174 0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -13.666 3.812 -1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -14.997 4.625 -0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -15.611 6.671 -1.468 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -14.822 7.406 -2.868 1.00 0.00 H new ATOM 1279 N ASP A 88 -14.632 5.029 2.009 1.00 0.00 N ATOM 1280 CA ASP A 88 -15.235 4.498 3.226 1.00 0.00 C ATOM 1281 C ASP A 88 -14.326 4.729 4.429 1.00 0.00 C ATOM 1282 O ASP A 88 -14.337 3.955 5.388 1.00 0.00 O ATOM 1283 CB ASP A 88 -15.523 3.004 3.068 1.00 0.00 C ATOM 1284 CG ASP A 88 -16.642 2.531 3.975 1.00 0.00 C ATOM 1285 OD1 ASP A 88 -17.722 3.157 3.959 1.00 0.00 O ATOM 1286 OD2 ASP A 88 -16.438 1.535 4.701 1.00 0.00 O ATOM 0 H ASP A 88 -15.071 5.880 1.657 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.174 5.025 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.787 2.796 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.618 2.437 3.287 1.00 0.00 H new ATOM 1291 N LEU A 89 -13.538 5.797 4.372 1.00 0.00 N ATOM 1292 CA LEU A 89 -12.620 6.130 5.456 1.00 0.00 C ATOM 1293 C LEU A 89 -13.279 7.075 6.456 1.00 0.00 C ATOM 1294 O LEU A 89 -14.433 7.469 6.287 1.00 0.00 O ATOM 1295 CB LEU A 89 -11.348 6.768 4.896 1.00 0.00 C ATOM 1296 CG LEU A 89 -10.524 5.899 3.946 1.00 0.00 C ATOM 1297 CD1 LEU A 89 -9.230 6.602 3.566 1.00 0.00 C ATOM 1298 CD2 LEU A 89 -10.232 4.546 4.578 1.00 0.00 C ATOM 0 H LEU A 89 -13.516 6.447 3.587 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.358 5.207 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.625 7.683 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.713 7.060 5.733 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.105 5.736 3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.657 5.968 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.460 7.546 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.644 6.797 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.645 3.941 3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.672 4.689 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.170 4.037 4.798 1.00 0.00 H new ATOM 1310 N LYS A 90 -12.538 7.437 7.497 1.00 0.00 N ATOM 1311 CA LYS A 90 -13.048 8.339 8.524 1.00 0.00 C ATOM 1312 C LYS A 90 -12.312 9.674 8.488 1.00 0.00 C ATOM 1313 O LYS A 90 -11.099 9.748 8.684 1.00 0.00 O ATOM 1314 CB LYS A 90 -12.904 7.702 9.908 1.00 0.00 C ATOM 1315 CG LYS A 90 -13.776 6.474 10.106 1.00 0.00 C ATOM 1316 CD LYS A 90 -13.051 5.204 9.694 1.00 0.00 C ATOM 1317 CE LYS A 90 -13.528 4.004 10.497 1.00 0.00 C ATOM 1318 NZ LYS A 90 -12.746 3.830 11.752 1.00 0.00 N ATOM 0 H LYS A 90 -11.581 7.120 7.653 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.104 8.520 8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.861 7.426 10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.156 8.442 10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.072 6.402 11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.691 6.578 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.213 5.020 8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.978 5.334 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.583 4.126 10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.444 3.103 9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.102 3.002 12.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.743 3.688 11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.847 4.679 12.344 1.00 0.00 H new ATOM 1332 N PRO A 91 -13.061 10.757 8.233 1.00 0.00 N ATOM 1333 CA PRO A 91 -12.501 12.110 8.169 1.00 0.00 C ATOM 1334 C PRO A 91 -12.055 12.619 9.535 1.00 0.00 C ATOM 1335 O PRO A 91 -12.432 12.065 10.567 1.00 0.00 O ATOM 1336 CB PRO A 91 -13.665 12.951 7.638 1.00 0.00 C ATOM 1337 CG PRO A 91 -14.888 12.200 8.037 1.00 0.00 C ATOM 1338 CD PRO A 91 -14.513 10.744 7.990 1.00 0.00 C ATOM 0 HA PRO A 91 -11.608 12.152 7.546 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.658 13.953 8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.608 13.068 6.556 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.214 12.487 9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.715 12.412 7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.042 10.168 8.749 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.755 10.298 7.025 1.00 0.00 H new ATOM 1346 N ALA A 92 -11.251 13.678 9.534 1.00 0.00 N ATOM 1347 CA ALA A 92 -10.757 14.263 10.774 1.00 0.00 C ATOM 1348 C ALA A 92 -10.058 13.216 11.634 1.00 0.00 C ATOM 1349 O ALA A 92 -10.182 13.221 12.859 1.00 0.00 O ATOM 1350 CB ALA A 92 -11.899 14.906 11.546 1.00 0.00 C ATOM 0 H ALA A 92 -10.928 14.148 8.688 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.028 15.032 10.519 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.515 15.339 12.470 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.353 15.690 10.939 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.649 14.151 11.783 1.00 0.00 H new ATOM 1356 N MET A 93 -9.323 12.318 10.985 1.00 0.00 N ATOM 1357 CA MET A 93 -8.604 11.265 11.693 1.00 0.00 C ATOM 1358 C MET A 93 -7.241 11.014 11.054 1.00 0.00 C ATOM 1359 O MET A 93 -6.968 11.482 9.949 1.00 0.00 O ATOM 1360 CB MET A 93 -9.423 9.973 11.697 1.00 0.00 C ATOM 1361 CG MET A 93 -10.343 9.841 12.901 1.00 0.00 C ATOM 1362 SD MET A 93 -11.565 8.530 12.701 1.00 0.00 S ATOM 1363 CE MET A 93 -10.519 7.078 12.769 1.00 0.00 C ATOM 0 H MET A 93 -9.210 12.299 9.971 1.00 0.00 H new ATOM 0 HA MET A 93 -8.450 11.592 12.721 1.00 0.00 H new ATOM 0 HB2 MET A 93 -10.021 9.928 10.787 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.743 9.121 11.674 1.00 0.00 H new ATOM 0 HG2 MET A 93 -9.745 9.642 13.790 1.00 0.00 H new ATOM 0 HG3 MET A 93 -10.856 10.788 13.067 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.139 6.182 12.749 1.00 0.00 H new ATOM 0 HE2 MET A 93 -9.846 7.074 11.911 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.934 7.094 13.689 1.00 0.00 H new ATOM 1373 N ASP A 94 -6.391 10.274 11.757 1.00 0.00 N ATOM 1374 CA ASP A 94 -5.057 9.960 11.258 1.00 0.00 C ATOM 1375 C ASP A 94 -4.735 8.483 11.460 1.00 0.00 C ATOM 1376 O ASP A 94 -4.843 7.959 12.569 1.00 0.00 O ATOM 1377 CB ASP A 94 -4.010 10.824 11.962 1.00 0.00 C ATOM 1378 CG ASP A 94 -3.990 10.603 13.462 1.00 0.00 C ATOM 1379 OD1 ASP A 94 -3.315 9.654 13.913 1.00 0.00 O ATOM 1380 OD2 ASP A 94 -4.650 11.379 14.184 1.00 0.00 O ATOM 0 H ASP A 94 -6.602 9.880 12.674 1.00 0.00 H new ATOM 0 HA ASP A 94 -5.035 10.175 10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.025 10.602 11.552 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.212 11.875 11.755 1.00 0.00 H new ATOM 1385 N TYR A 95 -4.339 7.817 10.381 1.00 0.00 N ATOM 1386 CA TYR A 95 -4.004 6.399 10.439 1.00 0.00 C ATOM 1387 C TYR A 95 -2.923 6.052 9.419 1.00 0.00 C ATOM 1388 O TYR A 95 -2.670 6.811 8.483 1.00 0.00 O ATOM 1389 CB TYR A 95 -5.250 5.548 10.186 1.00 0.00 C ATOM 1390 CG TYR A 95 -6.277 6.225 9.306 1.00 0.00 C ATOM 1391 CD1 TYR A 95 -7.034 7.289 9.781 1.00 0.00 C ATOM 1392 CD2 TYR A 95 -6.490 5.801 8.000 1.00 0.00 C ATOM 1393 CE1 TYR A 95 -7.974 7.910 8.981 1.00 0.00 C ATOM 1394 CE2 TYR A 95 -7.427 6.417 7.193 1.00 0.00 C ATOM 1395 CZ TYR A 95 -8.166 7.470 7.688 1.00 0.00 C ATOM 1396 OH TYR A 95 -9.100 8.087 6.887 1.00 0.00 O ATOM 0 H TYR A 95 -4.242 8.236 9.456 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.621 6.183 11.436 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.950 4.608 9.723 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.710 5.299 11.142 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.885 7.637 10.793 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.913 4.976 7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.555 8.735 9.366 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.580 6.075 6.180 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.703 8.624 7.442 1.00 0.00 H new ATOM 1406 N HIS A 96 -2.288 4.900 9.608 1.00 0.00 N ATOM 1407 CA HIS A 96 -1.235 4.450 8.706 1.00 0.00 C ATOM 1408 C HIS A 96 -1.797 3.524 7.632 1.00 0.00 C ATOM 1409 O HIS A 96 -2.870 2.944 7.799 1.00 0.00 O ATOM 1410 CB HIS A 96 -0.134 3.734 9.489 1.00 0.00 C ATOM 1411 CG HIS A 96 0.296 4.465 10.723 1.00 0.00 C ATOM 1412 ND1 HIS A 96 1.448 5.114 11.011 1.00 0.00 N flip ATOM 1413 CD2 HIS A 96 -0.500 4.586 11.842 1.00 0.00 C flip ATOM 1414 CE1 HIS A 96 1.328 5.612 12.285 1.00 0.00 C flip ATOM 1415 NE2 HIS A 96 0.143 5.279 12.765 1.00 0.00 N flip ATOM 0 H HIS A 96 -2.485 4.261 10.378 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.811 5.327 8.218 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.486 2.741 9.769 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.730 3.595 8.840 1.00 0.00 H new ATOM 0 HD1 HIS A 96 2.255 5.215 10.396 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.494 4.178 11.948 1.00 0.00 H new ATOM 0 HE1 HIS A 96 2.080 6.183 12.809 1.00 0.00 H new ATOM 1424 N ALA A 97 -1.066 3.389 6.530 1.00 0.00 N ATOM 1425 CA ALA A 97 -1.492 2.533 5.431 1.00 0.00 C ATOM 1426 C ALA A 97 -0.315 1.754 4.854 1.00 0.00 C ATOM 1427 O ALA A 97 0.795 2.276 4.745 1.00 0.00 O ATOM 1428 CB ALA A 97 -2.162 3.361 4.345 1.00 0.00 C ATOM 0 H ALA A 97 -0.176 3.862 6.375 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.213 1.815 5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.475 2.708 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.034 3.867 4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.458 4.102 3.966 1.00 0.00 H new ATOM 1434 N LYS A 98 -0.563 0.501 4.487 1.00 0.00 N ATOM 1435 CA LYS A 98 0.476 -0.351 3.921 1.00 0.00 C ATOM 1436 C LYS A 98 -0.042 -1.099 2.697 1.00 0.00 C ATOM 1437 O LYS A 98 -1.243 -1.329 2.559 1.00 0.00 O ATOM 1438 CB LYS A 98 0.973 -1.349 4.969 1.00 0.00 C ATOM 1439 CG LYS A 98 1.454 -0.694 6.253 1.00 0.00 C ATOM 1440 CD LYS A 98 2.164 -1.689 7.154 1.00 0.00 C ATOM 1441 CE LYS A 98 2.239 -1.187 8.588 1.00 0.00 C ATOM 1442 NZ LYS A 98 2.300 -2.309 9.566 1.00 0.00 N ATOM 0 H LYS A 98 -1.475 0.053 4.572 1.00 0.00 H new ATOM 0 HA LYS A 98 1.305 0.286 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.169 -2.045 5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.787 -1.935 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.129 0.127 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.605 -0.263 6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.639 -2.644 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.171 -1.869 6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.119 -0.554 8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.369 -0.566 8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.350 -1.926 10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.449 -2.899 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.144 -2.887 9.379 1.00 0.00 H new ATOM 1456 N VAL A 99 0.873 -1.478 1.810 1.00 0.00 N ATOM 1457 CA VAL A 99 0.509 -2.203 0.598 1.00 0.00 C ATOM 1458 C VAL A 99 1.240 -3.539 0.517 1.00 0.00 C ATOM 1459 O VAL A 99 2.469 -3.584 0.498 1.00 0.00 O ATOM 1460 CB VAL A 99 0.825 -1.380 -0.665 1.00 0.00 C ATOM 1461 CG1 VAL A 99 2.306 -1.467 -1.003 1.00 0.00 C ATOM 1462 CG2 VAL A 99 -0.026 -1.851 -1.834 1.00 0.00 C ATOM 0 H VAL A 99 1.872 -1.295 1.908 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.565 -2.382 0.646 1.00 0.00 H new ATOM 0 HB VAL A 99 0.583 -0.336 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.510 -0.879 -1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.893 -1.077 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.578 -2.507 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.210 -1.259 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.182 -2.902 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.081 -1.730 -1.588 1.00 0.00 H new ATOM 1472 N GLN A 100 0.474 -4.624 0.468 1.00 0.00 N ATOM 1473 CA GLN A 100 1.049 -5.962 0.388 1.00 0.00 C ATOM 1474 C GLN A 100 0.888 -6.541 -1.013 1.00 0.00 C ATOM 1475 O GLN A 100 -0.187 -6.464 -1.607 1.00 0.00 O ATOM 1476 CB GLN A 100 0.389 -6.885 1.414 1.00 0.00 C ATOM 1477 CG GLN A 100 1.127 -8.200 1.612 1.00 0.00 C ATOM 1478 CD GLN A 100 0.443 -9.107 2.615 1.00 0.00 C ATOM 1479 OE1 GLN A 100 -0.724 -8.908 2.955 1.00 0.00 O ATOM 1480 NE2 GLN A 100 1.167 -10.111 3.096 1.00 0.00 N ATOM 0 H GLN A 100 -0.546 -4.603 0.482 1.00 0.00 H new ATOM 0 HA GLN A 100 2.114 -5.887 0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.326 -6.366 2.370 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.633 -7.095 1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.205 -8.716 0.655 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.144 -7.995 1.947 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.131 -10.239 2.787 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.760 -10.754 3.775 1.00 0.00 H new ATOM 1489 N ALA A 101 1.963 -7.121 -1.536 1.00 0.00 N ATOM 1490 CA ALA A 101 1.940 -7.715 -2.867 1.00 0.00 C ATOM 1491 C ALA A 101 1.740 -9.225 -2.791 1.00 0.00 C ATOM 1492 O ALA A 101 2.406 -9.910 -2.015 1.00 0.00 O ATOM 1493 CB ALA A 101 3.225 -7.388 -3.613 1.00 0.00 C ATOM 0 H ALA A 101 2.861 -7.192 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 101 1.098 -7.290 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.194 -7.838 -4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.326 -6.307 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.077 -7.785 -3.061 1.00 0.00 H new ATOM 1499 N GLU A 102 0.817 -9.736 -3.600 1.00 0.00 N ATOM 1500 CA GLU A 102 0.529 -11.165 -3.622 1.00 0.00 C ATOM 1501 C GLU A 102 0.347 -11.662 -5.054 1.00 0.00 C ATOM 1502 O GLU A 102 -0.453 -11.116 -5.814 1.00 0.00 O ATOM 1503 CB GLU A 102 -0.727 -11.467 -2.802 1.00 0.00 C ATOM 1504 CG GLU A 102 -1.223 -12.896 -2.953 1.00 0.00 C ATOM 1505 CD GLU A 102 -2.712 -13.026 -2.697 1.00 0.00 C ATOM 1506 OE1 GLU A 102 -3.242 -12.255 -1.870 1.00 0.00 O ATOM 1507 OE2 GLU A 102 -3.347 -13.900 -3.323 1.00 0.00 O ATOM 0 H GLU A 102 0.257 -9.182 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 102 1.377 -11.687 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.519 -11.273 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.520 -10.782 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.999 -13.250 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.681 -13.540 -2.260 1.00 0.00 H new ATOM 1514 N TYR A 103 1.094 -12.699 -5.414 1.00 0.00 N ATOM 1515 CA TYR A 103 1.018 -13.267 -6.754 1.00 0.00 C ATOM 1516 C TYR A 103 1.160 -14.786 -6.711 1.00 0.00 C ATOM 1517 O TYR A 103 2.063 -15.318 -6.067 1.00 0.00 O ATOM 1518 CB TYR A 103 2.106 -12.668 -7.647 1.00 0.00 C ATOM 1519 CG TYR A 103 1.788 -12.747 -9.124 1.00 0.00 C ATOM 1520 CD1 TYR A 103 1.806 -13.964 -9.794 1.00 0.00 C ATOM 1521 CD2 TYR A 103 1.469 -11.605 -9.847 1.00 0.00 C ATOM 1522 CE1 TYR A 103 1.518 -14.040 -11.143 1.00 0.00 C ATOM 1523 CE2 TYR A 103 1.177 -11.672 -11.196 1.00 0.00 C ATOM 1524 CZ TYR A 103 1.204 -12.891 -11.839 1.00 0.00 C ATOM 1525 OH TYR A 103 0.914 -12.964 -13.183 1.00 0.00 O ATOM 0 H TYR A 103 1.759 -13.164 -4.796 1.00 0.00 H new ATOM 0 HA TYR A 103 0.040 -13.023 -7.169 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.257 -11.624 -7.372 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.046 -13.186 -7.458 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.049 -14.865 -9.251 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.449 -10.648 -9.346 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.539 -14.993 -11.650 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.929 -10.775 -11.743 1.00 0.00 H new ATOM 0 HH TYR A 103 0.713 -12.067 -13.523 1.00 0.00 H new ATOM 1535 N ASN A 104 0.259 -15.477 -7.402 1.00 0.00 N ATOM 1536 CA ASN A 104 0.282 -16.935 -7.443 1.00 0.00 C ATOM 1537 C ASN A 104 -0.011 -17.523 -6.066 1.00 0.00 C ATOM 1538 O ASN A 104 0.468 -18.605 -5.727 1.00 0.00 O ATOM 1539 CB ASN A 104 1.641 -17.430 -7.943 1.00 0.00 C ATOM 1540 CG ASN A 104 1.592 -18.869 -8.418 1.00 0.00 C ATOM 1541 OD1 ASN A 104 0.657 -19.607 -8.106 1.00 0.00 O ATOM 1542 ND2 ASN A 104 2.602 -19.275 -9.179 1.00 0.00 N ATOM 0 H ASN A 104 -0.495 -15.051 -7.941 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.494 -17.267 -8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.979 -16.792 -8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.375 -17.339 -7.142 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.624 -20.233 -9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.356 -18.629 -9.413 1.00 0.00 H new ATOM 1549 N SER A 105 -0.802 -16.802 -5.277 1.00 0.00 N ATOM 1550 CA SER A 105 -1.157 -17.251 -3.936 1.00 0.00 C ATOM 1551 C SER A 105 0.049 -17.186 -3.004 1.00 0.00 C ATOM 1552 O SER A 105 0.150 -17.954 -2.047 1.00 0.00 O ATOM 1553 CB SER A 105 -1.705 -18.679 -3.980 1.00 0.00 C ATOM 1554 OG SER A 105 -2.537 -18.941 -2.864 1.00 0.00 O ATOM 0 H SER A 105 -1.209 -15.905 -5.543 1.00 0.00 H new ATOM 0 HA SER A 105 -1.929 -16.585 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.269 -18.827 -4.901 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.878 -19.389 -3.995 1.00 0.00 H new ATOM 0 HG SER A 105 -2.049 -18.742 -2.038 1.00 0.00 H new ATOM 1560 N ILE A 106 0.962 -16.263 -3.292 1.00 0.00 N ATOM 1561 CA ILE A 106 2.161 -16.097 -2.480 1.00 0.00 C ATOM 1562 C ILE A 106 2.175 -14.735 -1.794 1.00 0.00 C ATOM 1563 O ILE A 106 2.403 -13.707 -2.433 1.00 0.00 O ATOM 1564 CB ILE A 106 3.439 -16.246 -3.326 1.00 0.00 C ATOM 1565 CG1 ILE A 106 3.480 -17.625 -3.988 1.00 0.00 C ATOM 1566 CG2 ILE A 106 4.673 -16.030 -2.463 1.00 0.00 C ATOM 1567 CD1 ILE A 106 4.498 -17.731 -5.102 1.00 0.00 C ATOM 0 H ILE A 106 0.894 -15.620 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 106 2.142 -16.882 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 106 3.430 -15.488 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.703 -18.376 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.492 -17.857 -4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.568 -16.139 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.646 -15.028 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.690 -16.768 -1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.471 -18.735 -5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.264 -17.004 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.493 -17.531 -4.706 1.00 0.00 H new ATOM 1579 N LYS A 107 1.933 -14.734 -0.487 1.00 0.00 N ATOM 1580 CA LYS A 107 1.921 -13.499 0.288 1.00 0.00 C ATOM 1581 C LYS A 107 3.291 -13.229 0.902 1.00 0.00 C ATOM 1582 O LYS A 107 3.884 -14.105 1.531 1.00 0.00 O ATOM 1583 CB LYS A 107 0.862 -13.576 1.390 1.00 0.00 C ATOM 1584 CG LYS A 107 -0.561 -13.635 0.864 1.00 0.00 C ATOM 1585 CD LYS A 107 -1.555 -13.935 1.974 1.00 0.00 C ATOM 1586 CE LYS A 107 -2.990 -13.818 1.484 1.00 0.00 C ATOM 1587 NZ LYS A 107 -3.971 -14.045 2.581 1.00 0.00 N ATOM 0 H LYS A 107 1.743 -15.575 0.058 1.00 0.00 H new ATOM 0 HA LYS A 107 1.677 -12.678 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.051 -14.458 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.964 -12.708 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.815 -12.685 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.633 -14.402 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.381 -14.940 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.395 -13.246 2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.148 -12.829 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.162 -14.542 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.937 -13.957 2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.838 -14.999 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.824 -13.338 3.330 1.00 0.00 H new ATOM 1601 N GLY A 108 3.788 -12.010 0.717 1.00 0.00 N ATOM 1602 CA GLY A 108 5.083 -11.646 1.260 1.00 0.00 C ATOM 1603 C GLY A 108 4.970 -10.799 2.511 1.00 0.00 C ATOM 1604 O GLY A 108 4.326 -11.195 3.483 1.00 0.00 O ATOM 0 H GLY A 108 3.316 -11.268 0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.645 -12.551 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.649 -11.100 0.505 1.00 0.00 H new ATOM 1608 N THR A 109 5.599 -9.628 2.491 1.00 0.00 N ATOM 1609 CA THR A 109 5.569 -8.723 3.633 1.00 0.00 C ATOM 1610 C THR A 109 5.143 -7.321 3.213 1.00 0.00 C ATOM 1611 O THR A 109 5.604 -6.781 2.208 1.00 0.00 O ATOM 1612 CB THR A 109 6.944 -8.645 4.324 1.00 0.00 C ATOM 1613 OG1 THR A 109 7.301 -9.927 4.851 1.00 0.00 O ATOM 1614 CG2 THR A 109 6.928 -7.616 5.445 1.00 0.00 C ATOM 0 H THR A 109 6.136 -9.284 1.695 1.00 0.00 H new ATOM 0 HA THR A 109 4.840 -9.125 4.336 1.00 0.00 H new ATOM 0 HB THR A 109 7.682 -8.340 3.582 1.00 0.00 H new ATOM 0 HG1 THR A 109 8.177 -9.869 5.287 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.909 -7.578 5.918 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.685 -6.636 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 109 6.179 -7.896 6.185 1.00 0.00 H new ATOM 1622 N PRO A 110 4.242 -6.715 4.001 1.00 0.00 N ATOM 1623 CA PRO A 110 3.734 -5.367 3.731 1.00 0.00 C ATOM 1624 C PRO A 110 4.795 -4.294 3.952 1.00 0.00 C ATOM 1625 O PRO A 110 5.520 -4.319 4.946 1.00 0.00 O ATOM 1626 CB PRO A 110 2.594 -5.208 4.740 1.00 0.00 C ATOM 1627 CG PRO A 110 2.941 -6.136 5.852 1.00 0.00 C ATOM 1628 CD PRO A 110 3.649 -7.300 5.215 1.00 0.00 C ATOM 0 HA PRO A 110 3.422 -5.249 2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.517 -4.179 5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.633 -5.465 4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 110 3.580 -5.644 6.585 1.00 0.00 H new ATOM 0 HG3 PRO A 110 2.046 -6.465 6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 110 4.411 -7.716 5.874 1.00 0.00 H new ATOM 0 HD3 PRO A 110 2.958 -8.108 4.975 1.00 0.00 H new ATOM 1636 N SER A 111 4.880 -3.351 3.019 1.00 0.00 N ATOM 1637 CA SER A 111 5.854 -2.270 3.111 1.00 0.00 C ATOM 1638 C SER A 111 5.649 -1.460 4.388 1.00 0.00 C ATOM 1639 O SER A 111 4.795 -1.787 5.211 1.00 0.00 O ATOM 1640 CB SER A 111 5.748 -1.354 1.890 1.00 0.00 C ATOM 1641 OG SER A 111 4.394 -1.099 1.560 1.00 0.00 O ATOM 0 H SER A 111 4.286 -3.314 2.191 1.00 0.00 H new ATOM 0 HA SER A 111 6.849 -2.713 3.139 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.260 -0.413 2.092 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.252 -1.815 1.041 1.00 0.00 H new ATOM 0 HG SER A 111 3.949 -0.666 2.318 1.00 0.00 H new ATOM 1647 N GLU A 112 6.439 -0.403 4.544 1.00 0.00 N ATOM 1648 CA GLU A 112 6.344 0.454 5.721 1.00 0.00 C ATOM 1649 C GLU A 112 4.944 1.045 5.852 1.00 0.00 C ATOM 1650 O GLU A 112 4.074 0.798 5.018 1.00 0.00 O ATOM 1651 CB GLU A 112 7.380 1.578 5.645 1.00 0.00 C ATOM 1652 CG GLU A 112 8.817 1.087 5.695 1.00 0.00 C ATOM 1653 CD GLU A 112 9.782 2.035 5.011 1.00 0.00 C ATOM 1654 OE1 GLU A 112 9.911 1.960 3.771 1.00 0.00 O ATOM 1655 OE2 GLU A 112 10.408 2.854 5.717 1.00 0.00 O ATOM 0 H GLU A 112 7.151 -0.119 3.871 1.00 0.00 H new ATOM 0 HA GLU A 112 6.545 -0.157 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.228 2.138 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.213 2.271 6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.117 0.958 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.879 0.107 5.221 1.00 0.00 H new ATOM 1662 N ALA A 113 4.735 1.826 6.907 1.00 0.00 N ATOM 1663 CA ALA A 113 3.441 2.454 7.148 1.00 0.00 C ATOM 1664 C ALA A 113 3.469 3.930 6.768 1.00 0.00 C ATOM 1665 O ALA A 113 4.423 4.642 7.077 1.00 0.00 O ATOM 1666 CB ALA A 113 3.038 2.289 8.606 1.00 0.00 C ATOM 0 H ALA A 113 5.445 2.039 7.608 1.00 0.00 H new ATOM 0 HA ALA A 113 2.701 1.958 6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.070 2.762 8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.969 1.228 8.847 1.00 0.00 H new ATOM 0 HB3 ALA A 113 3.786 2.758 9.245 1.00 0.00 H new ATOM 1672 N GLU A 114 2.415 4.383 6.095 1.00 0.00 N ATOM 1673 CA GLU A 114 2.321 5.775 5.671 1.00 0.00 C ATOM 1674 C GLU A 114 1.127 6.463 6.327 1.00 0.00 C ATOM 1675 O GLU A 114 -0.015 6.286 5.901 1.00 0.00 O ATOM 1676 CB GLU A 114 2.200 5.862 4.148 1.00 0.00 C ATOM 1677 CG GLU A 114 1.943 7.269 3.637 1.00 0.00 C ATOM 1678 CD GLU A 114 3.185 8.139 3.675 1.00 0.00 C ATOM 1679 OE1 GLU A 114 3.417 8.798 4.709 1.00 0.00 O ATOM 1680 OE2 GLU A 114 3.924 8.160 2.668 1.00 0.00 O ATOM 0 H GLU A 114 1.615 3.807 5.832 1.00 0.00 H new ATOM 0 HA GLU A 114 3.231 6.286 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.117 5.483 3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.390 5.211 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.571 7.218 2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.161 7.733 4.238 1.00 0.00 H new ATOM 1687 N ILE A 115 1.399 7.248 7.364 1.00 0.00 N ATOM 1688 CA ILE A 115 0.349 7.962 8.078 1.00 0.00 C ATOM 1689 C ILE A 115 -0.095 9.201 7.307 1.00 0.00 C ATOM 1690 O ILE A 115 0.732 9.947 6.781 1.00 0.00 O ATOM 1691 CB ILE A 115 0.811 8.385 9.485 1.00 0.00 C ATOM 1692 CG1 ILE A 115 -0.282 9.199 10.181 1.00 0.00 C ATOM 1693 CG2 ILE A 115 2.102 9.185 9.400 1.00 0.00 C ATOM 1694 CD1 ILE A 115 -0.082 9.324 11.675 1.00 0.00 C ATOM 0 H ILE A 115 2.339 7.405 7.728 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.492 7.275 8.173 1.00 0.00 H new ATOM 0 HB ILE A 115 1.001 7.488 10.074 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.316 10.196 9.742 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.249 8.733 9.990 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.416 9.477 10.402 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.879 8.574 8.940 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.938 10.078 8.797 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.893 9.913 12.103 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.078 8.332 12.126 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.869 9.817 11.875 1.00 0.00 H new ATOM 1706 N PHE A 116 -1.405 9.416 7.246 1.00 0.00 N ATOM 1707 CA PHE A 116 -1.959 10.566 6.540 1.00 0.00 C ATOM 1708 C PHE A 116 -3.257 11.031 7.194 1.00 0.00 C ATOM 1709 O PHE A 116 -4.197 10.253 7.358 1.00 0.00 O ATOM 1710 CB PHE A 116 -2.210 10.217 5.072 1.00 0.00 C ATOM 1711 CG PHE A 116 -3.253 9.154 4.878 1.00 0.00 C ATOM 1712 CD1 PHE A 116 -4.596 9.488 4.802 1.00 0.00 C ATOM 1713 CD2 PHE A 116 -2.892 7.821 4.772 1.00 0.00 C ATOM 1714 CE1 PHE A 116 -5.558 8.512 4.625 1.00 0.00 C ATOM 1715 CE2 PHE A 116 -3.849 6.840 4.595 1.00 0.00 C ATOM 1716 CZ PHE A 116 -5.184 7.186 4.520 1.00 0.00 C ATOM 0 H PHE A 116 -2.103 8.809 7.677 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.234 11.378 6.594 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.517 11.118 4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.275 9.884 4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.894 10.523 4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.849 7.545 4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.601 8.785 4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.553 5.804 4.515 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.934 6.422 4.380 1.00 0.00 H new ATOM 1726 N THR A 117 -3.301 12.307 7.566 1.00 0.00 N ATOM 1727 CA THR A 117 -4.482 12.876 8.203 1.00 0.00 C ATOM 1728 C THR A 117 -5.511 13.309 7.165 1.00 0.00 C ATOM 1729 O THR A 117 -5.181 13.987 6.192 1.00 0.00 O ATOM 1730 CB THR A 117 -4.116 14.087 9.083 1.00 0.00 C ATOM 1731 OG1 THR A 117 -2.937 13.802 9.843 1.00 0.00 O ATOM 1732 CG2 THR A 117 -5.260 14.437 10.023 1.00 0.00 C ATOM 0 H THR A 117 -2.533 12.965 7.437 1.00 0.00 H new ATOM 0 HA THR A 117 -4.910 12.095 8.831 1.00 0.00 H new ATOM 0 HB THR A 117 -3.929 14.940 8.430 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.710 14.577 10.398 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.979 15.295 10.634 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.148 14.682 9.440 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.474 13.585 10.669 1.00 0.00 H new ATOM 1740 N THR A 118 -6.763 12.913 7.379 1.00 0.00 N ATOM 1741 CA THR A 118 -7.841 13.260 6.462 1.00 0.00 C ATOM 1742 C THR A 118 -8.600 14.490 6.947 1.00 0.00 C ATOM 1743 O THR A 118 -8.671 14.756 8.147 1.00 0.00 O ATOM 1744 CB THR A 118 -8.832 12.093 6.294 1.00 0.00 C ATOM 1745 OG1 THR A 118 -9.199 11.572 7.576 1.00 0.00 O ATOM 1746 CG2 THR A 118 -8.223 10.985 5.447 1.00 0.00 C ATOM 0 H THR A 118 -7.054 12.352 8.179 1.00 0.00 H new ATOM 0 HA THR A 118 -7.380 13.477 5.499 1.00 0.00 H new ATOM 0 HB THR A 118 -9.721 12.470 5.788 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.866 10.863 7.462 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.941 10.171 5.342 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.972 11.377 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.320 10.612 5.930 1.00 0.00 H new ATOM 1754 N LEU A 119 -9.168 15.237 6.006 1.00 0.00 N ATOM 1755 CA LEU A 119 -9.924 16.440 6.337 1.00 0.00 C ATOM 1756 C LEU A 119 -11.309 16.084 6.867 1.00 0.00 C ATOM 1757 O LEU A 119 -11.695 14.915 6.889 1.00 0.00 O ATOM 1758 CB LEU A 119 -10.052 17.340 5.107 1.00 0.00 C ATOM 1759 CG LEU A 119 -10.083 16.628 3.754 1.00 0.00 C ATOM 1760 CD1 LEU A 119 -10.879 17.438 2.743 1.00 0.00 C ATOM 1761 CD2 LEU A 119 -8.669 16.382 3.248 1.00 0.00 C ATOM 0 H LEU A 119 -9.119 15.031 5.008 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.383 16.976 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -10.964 17.929 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.218 18.042 5.107 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.574 15.664 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.890 16.916 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.901 17.563 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.417 18.417 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.711 15.875 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.152 17.335 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.130 15.760 3.963 1.00 0.00 H new ATOM 1773 N SER A 120 -12.054 17.100 7.292 1.00 0.00 N ATOM 1774 CA SER A 120 -13.396 16.894 7.823 1.00 0.00 C ATOM 1775 C SER A 120 -14.437 16.960 6.710 1.00 0.00 C ATOM 1776 O SER A 120 -14.255 17.664 5.716 1.00 0.00 O ATOM 1777 CB SER A 120 -13.710 17.941 8.894 1.00 0.00 C ATOM 1778 OG SER A 120 -13.993 19.200 8.308 1.00 0.00 O ATOM 0 H SER A 120 -11.751 18.074 7.279 1.00 0.00 H new ATOM 0 HA SER A 120 -13.434 15.902 8.273 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.563 17.613 9.489 1.00 0.00 H new ATOM 0 HB3 SER A 120 -12.864 18.035 9.575 1.00 0.00 H new ATOM 0 HG SER A 120 -14.192 19.851 9.013 1.00 0.00 H new ATOM 1784 N CYS A 121 -15.528 16.223 6.884 1.00 0.00 N ATOM 1785 CA CYS A 121 -16.599 16.197 5.895 1.00 0.00 C ATOM 1786 C CYS A 121 -16.838 17.587 5.315 1.00 0.00 C ATOM 1787 O CYS A 121 -17.263 17.726 4.168 1.00 0.00 O ATOM 1788 CB CYS A 121 -17.888 15.664 6.522 1.00 0.00 C ATOM 1789 SG CYS A 121 -18.075 13.869 6.416 1.00 0.00 S ATOM 0 H CYS A 121 -15.694 15.635 7.701 1.00 0.00 H new ATOM 0 HA CYS A 121 -16.296 15.533 5.086 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -17.918 15.960 7.571 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -18.740 16.137 6.032 1.00 0.00 H new ATOM 0 HG CYS A 121 -19.194 13.515 6.975 1.00 0.00 H new