USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 667 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 58 MET CE :methyl 176:sc= -5.24! (180deg=-5.35!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -108:sc= 0.89 (180deg=-1.31!) USER MOD Set 2.1: A 52 ASN :FLIP amide:sc= -5.16! C(o=-16!,f=-8.5!) USER MOD Set 2.2: B 16 SER OG : rot 83:sc= -3.33! USER MOD Set 3.1: A 42 LYS NZ :NH3+ -131:sc= 0.247 (180deg=1.15) USER MOD Set 3.2: A 46 MET CE :methyl 178:sc= -4.28! (180deg=-3.92!) USER MOD Set 3.3: B 9 ASN : amide:sc= -1.84 K(o=-5.9,f=-8.3) USER MOD Single : A 8 THR OG1 : rot -23:sc= 0.595 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -145:sc= -1.87 (180deg=-3.54!) USER MOD Single : A 14 SER OG : rot -36:sc= 0.257 USER MOD Single : A 18 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.16) USER MOD Single : A 20 GLN : amide:sc= -1.03 X(o=-1,f=-0.55) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.1!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -4.17! C(o=-4.2!,f=-11!) USER MOD Single : A 35 MET CE :methyl 178:sc= -0.491 (180deg=-0.493) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -6.35! C(o=-8.6!,f=-6.3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -3.08! USER MOD Single : A 44 THR OG1 : rot 83:sc= 0.229 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -0.84 K(o=-0.84,f=-1.5) USER MOD Single : A 61 SER OG : rot 180:sc= -0.312 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 94:sc= 0.133 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ 161:sc= -1.22 (180deg=-1.77!) USER MOD Single : B 7 SER OG : rot -132:sc= 1.18 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= -0.38 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.305 -7.832 -11.809 1.00 0.00 N ATOM 95 CA THR A 8 -4.114 -6.646 -11.540 1.00 0.00 C ATOM 96 C THR A 8 -5.139 -6.422 -12.640 1.00 0.00 C ATOM 97 O THR A 8 -6.285 -6.068 -12.361 1.00 0.00 O ATOM 98 CB THR A 8 -3.218 -5.410 -11.419 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.069 -5.539 -12.239 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.751 -5.141 -10.005 1.00 0.00 C ATOM 0 HA THR A 8 -4.641 -6.808 -10.600 1.00 0.00 H new ATOM 0 HB THR A 8 -3.838 -4.573 -11.741 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.897 -6.488 -12.414 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.121 -4.252 -9.993 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.615 -4.982 -9.360 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.180 -5.995 -9.642 1.00 0.00 H new ATOM 108 N ALA A 9 -4.744 -6.655 -13.883 1.00 0.00 N ATOM 109 CA ALA A 9 -5.668 -6.496 -14.992 1.00 0.00 C ATOM 110 C ALA A 9 -6.857 -7.425 -14.790 1.00 0.00 C ATOM 111 O ALA A 9 -7.982 -6.978 -14.556 1.00 0.00 O ATOM 112 CB ALA A 9 -4.975 -6.787 -16.315 1.00 0.00 C ATOM 0 H ALA A 9 -3.804 -6.950 -14.145 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.020 -5.465 -15.022 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.685 -6.662 -17.133 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.142 -6.097 -16.449 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.601 -7.811 -16.312 1.00 0.00 H new ATOM 118 N SER A 10 -6.602 -8.721 -14.907 1.00 0.00 N ATOM 119 CA SER A 10 -7.650 -9.723 -14.761 1.00 0.00 C ATOM 120 C SER A 10 -8.357 -9.617 -13.414 1.00 0.00 C ATOM 121 O SER A 10 -9.510 -10.031 -13.284 1.00 0.00 O ATOM 122 CB SER A 10 -7.059 -11.125 -14.927 1.00 0.00 C ATOM 123 OG SER A 10 -7.414 -11.681 -16.179 1.00 0.00 O ATOM 0 H SER A 10 -5.677 -9.104 -15.103 1.00 0.00 H new ATOM 0 HA SER A 10 -8.390 -9.540 -15.540 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.973 -11.078 -14.841 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.415 -11.771 -14.124 1.00 0.00 H new ATOM 0 HG SER A 10 -7.023 -12.576 -16.262 1.00 0.00 H new ATOM 129 N MET A 11 -7.683 -9.063 -12.410 1.00 0.00 N ATOM 130 CA MET A 11 -8.292 -8.929 -11.097 1.00 0.00 C ATOM 131 C MET A 11 -9.506 -8.011 -11.177 1.00 0.00 C ATOM 132 O MET A 11 -10.544 -8.275 -10.568 1.00 0.00 O ATOM 133 CB MET A 11 -7.245 -8.422 -10.092 1.00 0.00 C ATOM 134 CG MET A 11 -7.552 -7.084 -9.442 1.00 0.00 C ATOM 135 SD MET A 11 -8.434 -7.266 -7.888 1.00 0.00 S ATOM 136 CE MET A 11 -7.098 -7.001 -6.726 1.00 0.00 C ATOM 0 H MET A 11 -6.730 -8.706 -12.481 1.00 0.00 H new ATOM 0 HA MET A 11 -8.643 -9.900 -10.748 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.130 -9.169 -9.307 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.285 -8.346 -10.602 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.621 -6.545 -9.267 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.147 -6.479 -10.126 1.00 0.00 H new ATOM 0 HE1 MET A 11 -7.245 -7.635 -5.851 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.149 -7.252 -7.200 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.085 -5.955 -6.419 1.00 0.00 H new ATOM 146 N LEU A 12 -9.369 -6.942 -11.943 1.00 0.00 N ATOM 147 CA LEU A 12 -10.458 -5.989 -12.120 1.00 0.00 C ATOM 148 C LEU A 12 -11.672 -6.687 -12.715 1.00 0.00 C ATOM 149 O LEU A 12 -12.759 -6.668 -12.137 1.00 0.00 O ATOM 150 CB LEU A 12 -10.018 -4.825 -13.018 1.00 0.00 C ATOM 151 CG LEU A 12 -10.337 -3.423 -12.484 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.757 -3.021 -12.853 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.137 -3.364 -10.977 1.00 0.00 C ATOM 0 H LEU A 12 -8.517 -6.710 -12.453 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.727 -5.585 -11.144 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.942 -4.898 -13.177 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.493 -4.941 -13.992 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.649 -2.715 -12.947 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.965 -2.024 -12.466 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.864 -3.019 -13.938 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.461 -3.732 -12.420 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.368 -2.361 -10.618 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.798 -4.084 -10.494 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.101 -3.605 -10.738 1.00 0.00 H new ATOM 165 N ALA A 13 -11.473 -7.325 -13.864 1.00 0.00 N ATOM 166 CA ALA A 13 -12.543 -8.061 -14.528 1.00 0.00 C ATOM 167 C ALA A 13 -12.896 -9.342 -13.766 1.00 0.00 C ATOM 168 O ALA A 13 -13.711 -10.142 -14.226 1.00 0.00 O ATOM 169 CB ALA A 13 -12.139 -8.394 -15.952 1.00 0.00 C ATOM 0 H ALA A 13 -10.579 -7.347 -14.355 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.429 -7.426 -14.544 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.944 -8.943 -16.440 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.945 -7.472 -16.500 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.237 -9.006 -15.941 1.00 0.00 H new ATOM 175 N SER A 14 -12.286 -9.522 -12.595 1.00 0.00 N ATOM 176 CA SER A 14 -12.544 -10.693 -11.763 1.00 0.00 C ATOM 177 C SER A 14 -13.549 -10.376 -10.652 1.00 0.00 C ATOM 178 O SER A 14 -13.841 -11.230 -9.815 1.00 0.00 O ATOM 179 CB SER A 14 -11.244 -11.214 -11.145 1.00 0.00 C ATOM 180 OG SER A 14 -11.406 -12.530 -10.642 1.00 0.00 O ATOM 0 H SER A 14 -11.608 -8.869 -12.202 1.00 0.00 H new ATOM 0 HA SER A 14 -12.969 -11.463 -12.407 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.452 -11.203 -11.894 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.930 -10.550 -10.340 1.00 0.00 H new ATOM 0 HG SER A 14 -12.305 -12.627 -10.263 1.00 0.00 H new ATOM 186 N ALA A 15 -14.086 -9.154 -10.649 1.00 0.00 N ATOM 187 CA ALA A 15 -15.061 -8.762 -9.638 1.00 0.00 C ATOM 188 C ALA A 15 -16.267 -8.066 -10.273 1.00 0.00 C ATOM 189 O ALA A 15 -16.134 -7.383 -11.288 1.00 0.00 O ATOM 190 CB ALA A 15 -14.409 -7.860 -8.608 1.00 0.00 C ATOM 0 H ALA A 15 -13.863 -8.428 -11.329 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.420 -9.664 -9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.146 -7.573 -7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.588 -8.392 -8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.024 -6.966 -9.099 1.00 0.00 H new ATOM 196 N PRO A 16 -17.471 -8.250 -9.686 1.00 0.00 N ATOM 197 CA PRO A 16 -18.711 -7.657 -10.192 1.00 0.00 C ATOM 198 C PRO A 16 -18.539 -6.212 -10.669 1.00 0.00 C ATOM 199 O PRO A 16 -17.465 -5.625 -10.544 1.00 0.00 O ATOM 200 CB PRO A 16 -19.663 -7.695 -8.989 1.00 0.00 C ATOM 201 CG PRO A 16 -19.021 -8.563 -7.949 1.00 0.00 C ATOM 202 CD PRO A 16 -17.715 -9.074 -8.497 1.00 0.00 C ATOM 0 HA PRO A 16 -19.072 -8.204 -11.063 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.834 -6.691 -8.601 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.635 -8.095 -9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.852 -7.996 -7.033 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.676 -9.395 -7.692 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.910 -8.969 -7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.778 -10.132 -8.753 1.00 0.00 H new ATOM 210 N PRO A 17 -19.609 -5.621 -11.229 1.00 0.00 N ATOM 211 CA PRO A 17 -19.584 -4.246 -11.739 1.00 0.00 C ATOM 212 C PRO A 17 -18.949 -3.249 -10.765 1.00 0.00 C ATOM 213 O PRO A 17 -17.800 -2.855 -10.949 1.00 0.00 O ATOM 214 CB PRO A 17 -21.062 -3.928 -11.974 1.00 0.00 C ATOM 215 CG PRO A 17 -21.692 -5.251 -12.244 1.00 0.00 C ATOM 216 CD PRO A 17 -20.932 -6.253 -11.417 1.00 0.00 C ATOM 0 HA PRO A 17 -18.970 -4.161 -12.636 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.507 -3.447 -11.103 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.192 -3.248 -12.816 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.748 -5.242 -11.972 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.638 -5.499 -13.304 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.425 -6.441 -10.463 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.849 -7.212 -11.927 1.00 0.00 H new ATOM 224 N GLN A 18 -19.696 -2.831 -9.742 1.00 0.00 N ATOM 225 CA GLN A 18 -19.185 -1.863 -8.770 1.00 0.00 C ATOM 226 C GLN A 18 -17.901 -2.344 -8.108 1.00 0.00 C ATOM 227 O GLN A 18 -17.141 -1.540 -7.569 1.00 0.00 O ATOM 228 CB GLN A 18 -20.240 -1.553 -7.705 1.00 0.00 C ATOM 229 CG GLN A 18 -20.837 -2.789 -7.053 1.00 0.00 C ATOM 230 CD GLN A 18 -22.258 -3.063 -7.506 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.603 -4.195 -7.845 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.092 -2.030 -7.510 1.00 0.00 N ATOM 0 H GLN A 18 -20.650 -3.145 -9.565 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.955 -0.950 -9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.791 -0.928 -6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.041 -0.971 -8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.214 -3.653 -7.284 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.823 -2.666 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -22.764 -1.108 -7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -24.061 -2.158 -7.802 1.00 0.00 H new ATOM 241 N GLU A 19 -17.639 -3.644 -8.163 1.00 0.00 N ATOM 242 CA GLU A 19 -16.422 -4.185 -7.576 1.00 0.00 C ATOM 243 C GLU A 19 -15.271 -4.033 -8.560 1.00 0.00 C ATOM 244 O GLU A 19 -14.395 -4.892 -8.652 1.00 0.00 O ATOM 245 CB GLU A 19 -16.601 -5.658 -7.197 1.00 0.00 C ATOM 246 CG GLU A 19 -17.633 -5.883 -6.103 1.00 0.00 C ATOM 247 CD GLU A 19 -17.315 -7.079 -5.223 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.258 -7.713 -5.436 1.00 0.00 O ATOM 249 OE2 GLU A 19 -18.123 -7.381 -4.320 1.00 0.00 O ATOM 0 H GLU A 19 -18.246 -4.336 -8.603 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.199 -3.629 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.895 -6.220 -8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.642 -6.059 -6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.697 -4.989 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.613 -6.025 -6.559 1.00 0.00 H new ATOM 256 N GLN A 20 -15.252 -2.899 -9.254 1.00 0.00 N ATOM 257 CA GLN A 20 -14.176 -2.599 -10.187 1.00 0.00 C ATOM 258 C GLN A 20 -12.900 -2.329 -9.406 1.00 0.00 C ATOM 259 O GLN A 20 -12.106 -3.231 -9.148 1.00 0.00 O ATOM 260 CB GLN A 20 -14.510 -1.410 -11.116 1.00 0.00 C ATOM 261 CG GLN A 20 -15.723 -0.585 -10.703 1.00 0.00 C ATOM 262 CD GLN A 20 -16.123 0.426 -11.760 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.271 0.454 -12.207 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.176 1.262 -12.167 1.00 0.00 N ATOM 0 H GLN A 20 -15.968 -2.176 -9.187 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.040 -3.465 -10.834 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.642 -0.752 -11.164 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.676 -1.792 -12.123 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.562 -1.252 -10.506 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.504 -0.064 -9.771 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.239 1.203 -11.769 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.386 1.963 -12.877 1.00 0.00 H new ATOM 273 N LYS A 21 -12.730 -1.072 -9.014 1.00 0.00 N ATOM 274 CA LYS A 21 -11.568 -0.637 -8.240 1.00 0.00 C ATOM 275 C LYS A 21 -11.708 -0.999 -6.762 1.00 0.00 C ATOM 276 O LYS A 21 -11.015 -0.439 -5.914 1.00 0.00 O ATOM 277 CB LYS A 21 -11.375 0.869 -8.399 1.00 0.00 C ATOM 278 CG LYS A 21 -11.864 1.394 -9.738 1.00 0.00 C ATOM 279 CD LYS A 21 -10.780 2.155 -10.488 1.00 0.00 C ATOM 280 CE LYS A 21 -10.231 1.346 -11.651 1.00 0.00 C ATOM 281 NZ LYS A 21 -8.973 1.931 -12.193 1.00 0.00 N ATOM 0 H LYS A 21 -13.392 -0.324 -9.222 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.692 -1.158 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.905 1.384 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.317 1.108 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.209 0.560 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.721 2.048 -9.579 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.186 3.096 -10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.970 2.405 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.044 0.323 -11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.978 1.296 -12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.632 1.349 -12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.156 2.898 -12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.251 1.955 -11.445 1.00 0.00 H new ATOM 295 N GLN A 22 -12.601 -1.935 -6.459 1.00 0.00 N ATOM 296 CA GLN A 22 -12.827 -2.364 -5.080 1.00 0.00 C ATOM 297 C GLN A 22 -11.580 -2.988 -4.480 1.00 0.00 C ATOM 298 O GLN A 22 -10.939 -2.407 -3.605 1.00 0.00 O ATOM 299 CB GLN A 22 -13.981 -3.366 -5.011 1.00 0.00 C ATOM 300 CG GLN A 22 -14.984 -3.064 -3.910 1.00 0.00 C ATOM 301 CD GLN A 22 -14.422 -3.318 -2.525 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.297 -2.922 -2.217 1.00 0.00 O ATOM 303 NE2 GLN A 22 -15.201 -3.985 -1.679 1.00 0.00 N ATOM 0 H GLN A 22 -13.181 -2.412 -7.149 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.082 -1.476 -4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.499 -3.377 -5.970 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.575 -4.366 -4.857 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.298 -2.023 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.873 -3.677 -4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.127 -4.295 -1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.873 -4.186 -0.734 1.00 0.00 H new ATOM 312 N MET A 23 -11.241 -4.179 -4.950 1.00 0.00 N ATOM 313 CA MET A 23 -10.076 -4.882 -4.453 1.00 0.00 C ATOM 314 C MET A 23 -8.846 -3.975 -4.502 1.00 0.00 C ATOM 315 O MET A 23 -8.534 -3.306 -3.526 1.00 0.00 O ATOM 316 CB MET A 23 -9.858 -6.161 -5.260 1.00 0.00 C ATOM 317 CG MET A 23 -11.072 -7.079 -5.278 1.00 0.00 C ATOM 318 SD MET A 23 -10.828 -8.584 -4.314 1.00 0.00 S ATOM 319 CE MET A 23 -10.490 -9.770 -5.611 1.00 0.00 C ATOM 0 H MET A 23 -11.758 -4.676 -5.675 1.00 0.00 H new ATOM 0 HA MET A 23 -10.241 -5.160 -3.412 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.597 -5.895 -6.285 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.008 -6.703 -4.845 1.00 0.00 H new ATOM 0 HG2 MET A 23 -11.935 -6.540 -4.888 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.303 -7.347 -6.309 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.317 -10.752 -5.170 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.342 -9.821 -6.289 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.604 -9.460 -6.165 1.00 0.00 H new ATOM 329 N LEU A 24 -8.146 -3.958 -5.628 1.00 0.00 N ATOM 330 CA LEU A 24 -6.946 -3.128 -5.770 1.00 0.00 C ATOM 331 C LEU A 24 -7.242 -1.624 -5.649 1.00 0.00 C ATOM 332 O LEU A 24 -6.827 -0.857 -6.516 1.00 0.00 O ATOM 333 CB LEU A 24 -6.255 -3.397 -7.117 1.00 0.00 C ATOM 334 CG LEU A 24 -7.159 -3.711 -8.311 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.992 -2.502 -8.707 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.298 -4.179 -9.474 1.00 0.00 C ATOM 0 H LEU A 24 -8.383 -4.505 -6.456 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.287 -3.406 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.652 -2.524 -7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.567 -4.232 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.855 -4.502 -8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.623 -2.758 -9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.619 -2.201 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.332 -1.679 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.934 -4.405 -10.330 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.593 -3.393 -9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.749 -5.075 -9.183 1.00 0.00 H new ATOM 348 N GLY A 25 -7.941 -1.188 -4.583 1.00 0.00 N ATOM 349 CA GLY A 25 -8.249 0.231 -4.429 1.00 0.00 C ATOM 350 C GLY A 25 -8.364 0.941 -5.763 1.00 0.00 C ATOM 351 O GLY A 25 -8.851 0.363 -6.737 1.00 0.00 O ATOM 0 H GLY A 25 -8.292 -1.788 -3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.184 0.340 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.471 0.707 -3.832 1.00 0.00 H new ATOM 355 N GLU A 26 -7.897 2.177 -5.830 1.00 0.00 N ATOM 356 CA GLU A 26 -7.939 2.911 -7.085 1.00 0.00 C ATOM 357 C GLU A 26 -6.867 2.371 -8.033 1.00 0.00 C ATOM 358 O GLU A 26 -7.157 1.585 -8.936 1.00 0.00 O ATOM 359 CB GLU A 26 -7.798 4.435 -6.885 1.00 0.00 C ATOM 360 CG GLU A 26 -7.774 4.906 -5.433 1.00 0.00 C ATOM 361 CD GLU A 26 -8.435 6.260 -5.242 1.00 0.00 C ATOM 362 OE1 GLU A 26 -7.798 7.282 -5.569 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.586 6.300 -4.757 1.00 0.00 O ATOM 0 H GLU A 26 -7.491 2.687 -5.045 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.921 2.756 -7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.880 4.765 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.624 4.929 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.279 4.169 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.741 4.960 -5.090 1.00 0.00 H new ATOM 370 N ARG A 27 -5.631 2.823 -7.836 1.00 0.00 N ATOM 371 CA ARG A 27 -4.517 2.409 -8.690 1.00 0.00 C ATOM 372 C ARG A 27 -3.192 2.285 -7.933 1.00 0.00 C ATOM 373 O ARG A 27 -2.144 2.110 -8.555 1.00 0.00 O ATOM 374 CB ARG A 27 -4.347 3.414 -9.828 1.00 0.00 C ATOM 375 CG ARG A 27 -5.079 3.033 -11.099 1.00 0.00 C ATOM 376 CD ARG A 27 -4.521 1.762 -11.703 1.00 0.00 C ATOM 377 NE ARG A 27 -4.621 1.771 -13.159 1.00 0.00 N ATOM 378 CZ ARG A 27 -4.893 0.697 -13.894 1.00 0.00 C ATOM 379 NH1 ARG A 27 -5.060 -0.490 -13.323 1.00 0.00 N ATOM 380 NH2 ARG A 27 -4.994 0.811 -15.211 1.00 0.00 N ATOM 0 H ARG A 27 -5.374 3.475 -7.095 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.765 1.419 -9.073 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.702 4.389 -9.494 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.285 3.520 -10.050 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.139 2.899 -10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.001 3.845 -11.822 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.477 1.647 -11.410 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.061 0.902 -11.306 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.473 2.657 -13.643 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.980 -0.585 -12.311 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.268 -1.307 -13.897 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.863 1.720 -15.656 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.202 -0.010 -15.779 1.00 0.00 H new ATOM 394 N LEU A 28 -3.218 2.374 -6.610 1.00 0.00 N ATOM 395 CA LEU A 28 -1.983 2.275 -5.833 1.00 0.00 C ATOM 396 C LEU A 28 -1.540 0.827 -5.641 1.00 0.00 C ATOM 397 O LEU A 28 -0.349 0.527 -5.700 1.00 0.00 O ATOM 398 CB LEU A 28 -2.150 2.969 -4.489 1.00 0.00 C ATOM 399 CG LEU A 28 -2.657 4.399 -4.602 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.481 4.777 -3.392 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.511 5.377 -4.806 1.00 0.00 C ATOM 0 H LEU A 28 -4.064 2.512 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.198 2.777 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.844 2.394 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.192 2.972 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.300 4.454 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.832 5.804 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.337 4.107 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.869 4.693 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.906 6.390 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.827 5.318 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.977 5.125 -5.722 1.00 0.00 H new ATOM 413 N PHE A 29 -2.496 -0.071 -5.420 1.00 0.00 N ATOM 414 CA PHE A 29 -2.183 -1.488 -5.233 1.00 0.00 C ATOM 415 C PHE A 29 -1.284 -2.000 -6.363 1.00 0.00 C ATOM 416 O PHE A 29 -0.296 -2.691 -6.117 1.00 0.00 O ATOM 417 CB PHE A 29 -3.470 -2.305 -5.162 1.00 0.00 C ATOM 418 CG PHE A 29 -3.297 -3.713 -4.665 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.365 -4.042 -3.686 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.095 -4.713 -5.181 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.253 -5.350 -3.244 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.991 -6.010 -4.748 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.070 -6.335 -3.775 1.00 0.00 C ATOM 0 H PHE A 29 -3.489 0.154 -5.366 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.643 -1.602 -4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.176 -1.789 -4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.918 -2.338 -6.155 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.727 -3.276 -3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.819 -4.469 -5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.528 -5.602 -2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.628 -6.774 -5.168 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.986 -7.354 -3.428 1.00 0.00 H new ATOM 433 N PRO A 30 -1.604 -1.647 -7.617 1.00 0.00 N ATOM 434 CA PRO A 30 -0.804 -2.049 -8.775 1.00 0.00 C ATOM 435 C PRO A 30 0.596 -1.451 -8.714 1.00 0.00 C ATOM 436 O PRO A 30 1.587 -2.127 -8.985 1.00 0.00 O ATOM 437 CB PRO A 30 -1.566 -1.475 -9.978 1.00 0.00 C ATOM 438 CG PRO A 30 -2.916 -1.098 -9.464 1.00 0.00 C ATOM 439 CD PRO A 30 -2.747 -0.813 -8.001 1.00 0.00 C ATOM 0 HA PRO A 30 -0.675 -3.130 -8.824 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.049 -0.609 -10.391 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.644 -2.211 -10.778 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.301 -0.223 -9.988 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.631 -1.905 -9.622 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.552 0.244 -7.818 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.642 -1.074 -7.436 1.00 0.00 H new ATOM 447 N LEU A 31 0.661 -0.171 -8.360 1.00 0.00 N ATOM 448 CA LEU A 31 1.933 0.542 -8.266 1.00 0.00 C ATOM 449 C LEU A 31 2.780 0.016 -7.109 1.00 0.00 C ATOM 450 O LEU A 31 3.984 -0.247 -7.246 1.00 0.00 O ATOM 451 CB LEU A 31 1.663 2.030 -8.073 1.00 0.00 C ATOM 452 CG LEU A 31 0.608 2.606 -9.018 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.262 4.040 -8.646 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.071 2.510 -10.463 1.00 0.00 C ATOM 0 H LEU A 31 -0.155 0.397 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 31 2.489 0.380 -9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.344 2.199 -7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.595 2.577 -8.211 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.300 2.011 -8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.490 4.423 -9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.130 4.068 -7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.158 4.658 -8.707 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.306 2.925 -11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.998 3.071 -10.586 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.242 1.465 -10.722 1.00 0.00 H new ATOM 466 N ILE A 32 2.132 -0.162 -5.976 1.00 0.00 N ATOM 467 CA ILE A 32 2.809 -0.671 -4.804 1.00 0.00 C ATOM 468 C ILE A 32 3.217 -2.109 -5.061 1.00 0.00 C ATOM 469 O ILE A 32 4.329 -2.512 -4.737 1.00 0.00 O ATOM 470 CB ILE A 32 1.912 -0.568 -3.560 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.715 -0.831 -2.284 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.741 -1.519 -3.679 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.194 -2.249 -2.145 1.00 0.00 C ATOM 0 H ILE A 32 1.141 0.038 -5.843 1.00 0.00 H new ATOM 0 HA ILE A 32 3.698 -0.070 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 32 1.521 0.447 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.577 -0.164 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.099 -0.580 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.113 -1.436 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.155 -1.266 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.110 -2.541 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.754 -2.354 -1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.337 -2.923 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.838 -2.500 -2.988 1.00 0.00 H new ATOM 485 N GLN A 33 2.322 -2.869 -5.690 1.00 0.00 N ATOM 486 CA GLN A 33 2.611 -4.253 -6.034 1.00 0.00 C ATOM 487 C GLN A 33 4.024 -4.359 -6.606 1.00 0.00 C ATOM 488 O GLN A 33 4.788 -5.264 -6.269 1.00 0.00 O ATOM 489 CB GLN A 33 1.617 -4.768 -7.074 1.00 0.00 C ATOM 490 CG GLN A 33 0.432 -5.496 -6.471 1.00 0.00 C ATOM 491 CD GLN A 33 -0.709 -5.658 -7.454 1.00 0.00 C ATOM 492 OE1 GLN A 33 -0.497 -5.905 -8.641 1.00 0.00 O ATOM 493 NE2 GLN A 33 -1.927 -5.518 -6.957 1.00 0.00 N ATOM 0 H GLN A 33 1.395 -2.548 -5.969 1.00 0.00 H new ATOM 0 HA GLN A 33 2.527 -4.855 -5.129 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.254 -3.927 -7.665 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.135 -5.439 -7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.751 -6.479 -6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.080 -4.949 -5.597 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.053 -5.313 -5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.740 -5.615 -7.565 1.00 0.00 H new ATOM 502 N ALA A 34 4.340 -3.416 -7.493 1.00 0.00 N ATOM 503 CA ALA A 34 5.639 -3.363 -8.159 1.00 0.00 C ATOM 504 C ALA A 34 6.778 -3.253 -7.165 1.00 0.00 C ATOM 505 O ALA A 34 7.861 -3.801 -7.378 1.00 0.00 O ATOM 506 CB ALA A 34 5.677 -2.195 -9.134 1.00 0.00 C ATOM 0 H ALA A 34 3.703 -2.669 -7.769 1.00 0.00 H new ATOM 0 HA ALA A 34 5.770 -4.297 -8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.649 -2.163 -9.626 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.895 -2.321 -9.883 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.514 -1.263 -8.592 1.00 0.00 H new ATOM 512 N MET A 35 6.529 -2.536 -6.089 1.00 0.00 N ATOM 513 CA MET A 35 7.549 -2.337 -5.057 1.00 0.00 C ATOM 514 C MET A 35 7.352 -3.295 -3.884 1.00 0.00 C ATOM 515 O MET A 35 8.268 -4.021 -3.503 1.00 0.00 O ATOM 516 CB MET A 35 7.520 -0.897 -4.552 1.00 0.00 C ATOM 517 CG MET A 35 7.620 0.135 -5.661 1.00 0.00 C ATOM 518 SD MET A 35 9.276 0.830 -5.815 1.00 0.00 S ATOM 519 CE MET A 35 9.136 1.678 -7.385 1.00 0.00 C ATOM 0 H MET A 35 5.637 -2.080 -5.898 1.00 0.00 H new ATOM 0 HA MET A 35 8.519 -2.544 -5.510 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.597 -0.734 -3.996 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.343 -0.749 -3.853 1.00 0.00 H new ATOM 0 HG2 MET A 35 7.334 -0.325 -6.607 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.909 0.939 -5.469 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.072 2.191 -7.606 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.924 0.954 -8.172 1.00 0.00 H new ATOM 0 HE3 MET A 35 8.326 2.406 -7.334 1.00 0.00 H new ATOM 529 N HIS A 36 6.145 -3.311 -3.339 1.00 0.00 N ATOM 530 CA HIS A 36 5.810 -4.202 -2.230 1.00 0.00 C ATOM 531 C HIS A 36 6.678 -3.966 -0.996 1.00 0.00 C ATOM 532 O HIS A 36 7.143 -4.921 -0.371 1.00 0.00 O ATOM 533 CB HIS A 36 5.928 -5.662 -2.670 1.00 0.00 C ATOM 534 CG HIS A 36 4.639 -6.226 -3.178 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.395 -5.707 -3.163 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.530 -7.463 -3.780 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.559 -6.627 -3.748 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.268 -7.677 -4.114 1.00 0.00 N flip ATOM 0 H HIS A 36 5.376 -2.716 -3.646 1.00 0.00 H new ATOM 0 HA HIS A 36 4.781 -3.978 -1.950 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.685 -5.740 -3.450 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.274 -6.262 -1.829 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.347 -8.149 -3.951 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.494 -6.509 -3.886 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.905 -8.511 -4.576 1.00 0.00 H new ATOM 546 N PRO A 37 6.896 -2.703 -0.598 1.00 0.00 N ATOM 547 CA PRO A 37 7.690 -2.404 0.588 1.00 0.00 C ATOM 548 C PRO A 37 7.070 -3.025 1.836 1.00 0.00 C ATOM 549 O PRO A 37 7.591 -3.998 2.383 1.00 0.00 O ATOM 550 CB PRO A 37 7.671 -0.870 0.676 1.00 0.00 C ATOM 551 CG PRO A 37 6.526 -0.441 -0.175 1.00 0.00 C ATOM 552 CD PRO A 37 6.379 -1.487 -1.242 1.00 0.00 C ATOM 0 HA PRO A 37 8.700 -2.809 0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.542 -0.537 1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.608 -0.444 0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.613 -0.356 0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.714 0.539 -0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.340 -1.605 -1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.948 -1.232 -2.136 1.00 0.00 H new ATOM 560 N THR A 38 5.972 -2.438 2.303 1.00 0.00 N ATOM 561 CA THR A 38 5.302 -2.913 3.509 1.00 0.00 C ATOM 562 C THR A 38 4.138 -3.836 3.176 1.00 0.00 C ATOM 563 O THR A 38 4.136 -5.008 3.549 1.00 0.00 O ATOM 564 CB THR A 38 4.807 -1.720 4.332 1.00 0.00 C ATOM 565 OG1 THR A 38 3.735 -1.068 3.677 1.00 0.00 O ATOM 566 CG2 THR A 38 5.884 -0.689 4.592 1.00 0.00 C ATOM 0 H THR A 38 5.527 -1.632 1.864 1.00 0.00 H new ATOM 0 HA THR A 38 6.024 -3.485 4.092 1.00 0.00 H new ATOM 0 HB THR A 38 4.487 -2.138 5.286 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.432 -0.310 4.220 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.469 0.130 5.179 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.704 -1.151 5.141 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.255 -0.303 3.643 1.00 0.00 H new ATOM 574 N LEU A 39 3.146 -3.298 2.482 1.00 0.00 N ATOM 575 CA LEU A 39 1.969 -4.069 2.109 1.00 0.00 C ATOM 576 C LEU A 39 1.183 -3.363 1.012 1.00 0.00 C ATOM 577 O LEU A 39 0.615 -2.295 1.231 1.00 0.00 O ATOM 578 CB LEU A 39 1.079 -4.291 3.332 1.00 0.00 C ATOM 579 CG LEU A 39 1.204 -5.671 3.983 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.671 -5.546 5.425 1.00 0.00 C ATOM 581 CD2 LEU A 39 -0.121 -6.415 3.911 1.00 0.00 C ATOM 0 H LEU A 39 3.133 -2.329 2.165 1.00 0.00 H new ATOM 0 HA LEU A 39 2.299 -5.035 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.316 -3.532 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.040 -4.137 3.039 1.00 0.00 H new ATOM 0 HG LEU A 39 1.951 -6.243 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.753 -6.538 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.644 -5.055 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.951 -4.954 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.014 -7.394 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.888 -5.844 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.412 -6.541 2.868 1.00 0.00 H new ATOM 593 N ALA A 40 1.150 -3.973 -0.164 1.00 0.00 N ATOM 594 CA ALA A 40 0.428 -3.420 -1.306 1.00 0.00 C ATOM 595 C ALA A 40 -1.028 -3.110 -0.972 1.00 0.00 C ATOM 596 O ALA A 40 -1.488 -1.989 -1.180 1.00 0.00 O ATOM 597 CB ALA A 40 0.539 -4.372 -2.492 1.00 0.00 C ATOM 0 H ALA A 40 1.618 -4.859 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 40 0.888 -2.468 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.001 -3.957 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.588 -4.503 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.109 -5.337 -2.225 1.00 0.00 H new ATOM 603 N GLY A 41 -1.754 -4.093 -0.456 1.00 0.00 N ATOM 604 CA GLY A 41 -3.147 -3.868 -0.113 1.00 0.00 C ATOM 605 C GLY A 41 -3.330 -2.739 0.887 1.00 0.00 C ATOM 606 O GLY A 41 -4.309 -1.996 0.825 1.00 0.00 O ATOM 0 H GLY A 41 -1.409 -5.034 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.708 -3.639 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.568 -4.785 0.299 1.00 0.00 H new ATOM 610 N LYS A 42 -2.395 -2.627 1.825 1.00 0.00 N ATOM 611 CA LYS A 42 -2.471 -1.599 2.861 1.00 0.00 C ATOM 612 C LYS A 42 -1.941 -0.242 2.394 1.00 0.00 C ATOM 613 O LYS A 42 -2.548 0.789 2.674 1.00 0.00 O ATOM 614 CB LYS A 42 -1.712 -2.050 4.109 1.00 0.00 C ATOM 615 CG LYS A 42 -2.577 -2.810 5.104 1.00 0.00 C ATOM 616 CD LYS A 42 -2.995 -1.927 6.268 1.00 0.00 C ATOM 617 CE LYS A 42 -4.214 -1.088 5.919 1.00 0.00 C ATOM 618 NZ LYS A 42 -4.261 0.181 6.695 1.00 0.00 N ATOM 0 H LYS A 42 -1.577 -3.233 1.890 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.528 -1.467 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.877 -2.683 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.288 -1.176 4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.464 -3.192 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.028 -3.673 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.215 -2.548 7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.169 -1.273 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.204 -0.860 4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.118 -1.665 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.206 0.298 7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.549 0.151 7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.061 0.982 6.063 1.00 0.00 H new ATOM 632 N ILE A 43 -0.817 -0.234 1.678 1.00 0.00 N ATOM 633 CA ILE A 43 -0.237 1.013 1.187 1.00 0.00 C ATOM 634 C ILE A 43 -1.287 1.837 0.452 1.00 0.00 C ATOM 635 O ILE A 43 -1.394 3.050 0.634 1.00 0.00 O ATOM 636 CB ILE A 43 0.970 0.731 0.249 1.00 0.00 C ATOM 637 CG1 ILE A 43 2.262 1.294 0.843 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.743 1.295 -1.151 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.259 0.230 1.238 1.00 0.00 C ATOM 0 H ILE A 43 -0.293 -1.072 1.427 1.00 0.00 H new ATOM 0 HA ILE A 43 0.118 1.580 2.047 1.00 0.00 H new ATOM 0 HB ILE A 43 1.065 -0.351 0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.725 1.962 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.018 1.895 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.609 1.077 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.144 0.837 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.602 2.374 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.150 0.702 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.815 -0.425 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.533 -0.356 0.361 1.00 0.00 H new ATOM 651 N THR A 44 -2.051 1.154 -0.389 1.00 0.00 N ATOM 652 CA THR A 44 -3.089 1.788 -1.183 1.00 0.00 C ATOM 653 C THR A 44 -4.055 2.593 -0.322 1.00 0.00 C ATOM 654 O THR A 44 -4.346 3.749 -0.622 1.00 0.00 O ATOM 655 CB THR A 44 -3.857 0.723 -1.965 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.969 -0.085 -2.715 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.878 1.295 -2.923 1.00 0.00 C ATOM 0 H THR A 44 -1.968 0.148 -0.538 1.00 0.00 H new ATOM 0 HA THR A 44 -2.605 2.482 -1.871 1.00 0.00 H new ATOM 0 HB THR A 44 -4.384 0.139 -1.210 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.600 -0.787 -2.139 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.384 0.482 -3.443 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.610 1.882 -2.367 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.377 1.934 -3.650 1.00 0.00 H new ATOM 665 N GLY A 45 -4.545 1.985 0.753 1.00 0.00 N ATOM 666 CA GLY A 45 -5.471 2.676 1.629 1.00 0.00 C ATOM 667 C GLY A 45 -4.920 3.998 2.101 1.00 0.00 C ATOM 668 O GLY A 45 -5.660 4.957 2.311 1.00 0.00 O ATOM 0 H GLY A 45 -4.318 1.030 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.412 2.842 1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.693 2.047 2.491 1.00 0.00 H new ATOM 672 N MET A 46 -3.608 4.041 2.260 1.00 0.00 N ATOM 673 CA MET A 46 -2.933 5.243 2.709 1.00 0.00 C ATOM 674 C MET A 46 -2.832 6.256 1.573 1.00 0.00 C ATOM 675 O MET A 46 -3.322 7.378 1.693 1.00 0.00 O ATOM 676 CB MET A 46 -1.553 4.892 3.267 1.00 0.00 C ATOM 677 CG MET A 46 -1.607 4.248 4.651 1.00 0.00 C ATOM 678 SD MET A 46 -2.645 2.773 4.704 1.00 0.00 S ATOM 679 CE MET A 46 -1.559 1.600 5.515 1.00 0.00 C ATOM 0 H MET A 46 -2.987 3.251 2.083 1.00 0.00 H new ATOM 0 HA MET A 46 -3.516 5.700 3.508 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.052 4.213 2.577 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.948 5.798 3.319 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.596 3.985 4.963 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.983 4.976 5.370 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.081 0.652 5.648 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.671 1.443 4.903 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.264 1.991 6.489 1.00 0.00 H new ATOM 689 N LEU A 47 -2.189 5.872 0.471 1.00 0.00 N ATOM 690 CA LEU A 47 -2.041 6.785 -0.656 1.00 0.00 C ATOM 691 C LEU A 47 -3.406 7.239 -1.152 1.00 0.00 C ATOM 692 O LEU A 47 -3.519 8.286 -1.790 1.00 0.00 O ATOM 693 CB LEU A 47 -1.242 6.129 -1.793 1.00 0.00 C ATOM 694 CG LEU A 47 0.239 5.838 -1.511 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.146 6.796 -2.280 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.550 5.889 -0.024 1.00 0.00 C ATOM 0 H LEU A 47 -1.770 4.952 0.337 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.486 7.660 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.730 5.190 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.302 6.775 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 47 0.437 4.824 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.188 6.565 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.968 6.686 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.930 7.821 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.608 5.678 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.316 6.881 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.051 5.145 0.499 1.00 0.00 H new ATOM 708 N LEU A 48 -4.448 6.443 -0.886 1.00 0.00 N ATOM 709 CA LEU A 48 -5.810 6.768 -1.331 1.00 0.00 C ATOM 710 C LEU A 48 -6.298 8.135 -0.816 1.00 0.00 C ATOM 711 O LEU A 48 -7.492 8.429 -0.881 1.00 0.00 O ATOM 712 CB LEU A 48 -6.782 5.664 -0.883 1.00 0.00 C ATOM 713 CG LEU A 48 -7.532 4.943 -2.012 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.633 3.929 -2.691 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.773 4.245 -1.480 1.00 0.00 C ATOM 0 H LEU A 48 -4.375 5.569 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.784 6.828 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.223 4.923 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.515 6.103 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.835 5.695 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.184 3.430 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.766 4.437 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.301 3.190 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.287 3.742 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.483 3.511 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.440 4.981 -1.031 1.00 0.00 H new ATOM 727 N GLU A 49 -5.384 8.969 -0.323 1.00 0.00 N ATOM 728 CA GLU A 49 -5.736 10.296 0.175 1.00 0.00 C ATOM 729 C GLU A 49 -6.030 11.255 -0.977 1.00 0.00 C ATOM 730 O GLU A 49 -6.478 12.380 -0.759 1.00 0.00 O ATOM 731 CB GLU A 49 -4.591 10.863 1.016 1.00 0.00 C ATOM 732 CG GLU A 49 -3.281 10.976 0.253 1.00 0.00 C ATOM 733 CD GLU A 49 -2.077 10.651 1.114 1.00 0.00 C ATOM 734 OE1 GLU A 49 -1.760 9.453 1.265 1.00 0.00 O ATOM 735 OE2 GLU A 49 -1.448 11.597 1.632 1.00 0.00 O ATOM 0 H GLU A 49 -4.391 8.747 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.632 10.195 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.874 11.849 1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.441 10.227 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.304 10.302 -0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.180 11.987 -0.140 1.00 0.00 H new ATOM 742 N ILE A 50 -5.757 10.812 -2.201 1.00 0.00 N ATOM 743 CA ILE A 50 -5.980 11.644 -3.374 1.00 0.00 C ATOM 744 C ILE A 50 -7.165 11.140 -4.203 1.00 0.00 C ATOM 745 O ILE A 50 -7.741 10.093 -3.906 1.00 0.00 O ATOM 746 CB ILE A 50 -4.705 11.711 -4.239 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.631 13.049 -4.971 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.649 10.551 -5.215 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.318 13.765 -4.772 1.00 0.00 C ATOM 0 H ILE A 50 -5.383 9.885 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.222 12.649 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.839 11.631 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.788 12.882 -6.037 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.442 13.690 -4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.740 10.622 -5.813 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.648 9.611 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.519 10.585 -5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.331 14.708 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.169 13.963 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.504 13.142 -5.143 1.00 0.00 H new ATOM 761 N ASP A 51 -7.500 11.874 -5.262 1.00 0.00 N ATOM 762 CA ASP A 51 -8.581 11.495 -6.160 1.00 0.00 C ATOM 763 C ASP A 51 -8.169 10.331 -7.055 1.00 0.00 C ATOM 764 O ASP A 51 -7.038 10.286 -7.538 1.00 0.00 O ATOM 765 CB ASP A 51 -8.994 12.691 -7.017 1.00 0.00 C ATOM 766 CG ASP A 51 -10.336 12.484 -7.691 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.362 12.472 -6.980 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.359 12.335 -8.930 1.00 0.00 O ATOM 0 H ASP A 51 -7.031 12.743 -5.518 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.429 11.176 -5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.038 13.584 -6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.233 12.870 -7.776 1.00 0.00 H new ATOM 773 N ASN A 52 -9.092 9.403 -7.302 1.00 0.00 N ATOM 774 CA ASN A 52 -8.807 8.266 -8.175 1.00 0.00 C ATOM 775 C ASN A 52 -8.156 8.733 -9.480 1.00 0.00 C ATOM 776 O ASN A 52 -7.447 7.972 -10.138 1.00 0.00 O ATOM 777 CB ASN A 52 -10.100 7.506 -8.495 1.00 0.00 C ATOM 778 CG ASN A 52 -9.838 6.167 -9.165 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.906 5.435 -9.479 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.689 5.795 -9.401 1.00 0.00 N flip ATOM 0 H ASN A 52 -10.035 9.415 -6.914 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.116 7.604 -7.653 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.660 7.344 -7.574 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.726 8.118 -9.145 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.899 6.386 -9.144 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.527 4.895 -9.854 1.00 0.00 H new ATOM 787 N SER A 53 -8.419 9.985 -9.855 1.00 0.00 N ATOM 788 CA SER A 53 -7.880 10.546 -11.092 1.00 0.00 C ATOM 789 C SER A 53 -6.384 10.830 -10.994 1.00 0.00 C ATOM 790 O SER A 53 -5.685 10.856 -12.010 1.00 0.00 O ATOM 791 CB SER A 53 -8.631 11.827 -11.461 1.00 0.00 C ATOM 792 OG SER A 53 -8.663 12.014 -12.866 1.00 0.00 O ATOM 0 H SER A 53 -9.002 10.629 -9.320 1.00 0.00 H new ATOM 0 HA SER A 53 -8.021 9.800 -11.874 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.649 11.779 -11.074 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.150 12.683 -10.988 1.00 0.00 H new ATOM 0 HG SER A 53 -9.150 12.838 -13.075 1.00 0.00 H new ATOM 798 N GLU A 54 -5.888 11.039 -9.781 1.00 0.00 N ATOM 799 CA GLU A 54 -4.470 11.320 -9.592 1.00 0.00 C ATOM 800 C GLU A 54 -3.643 10.051 -9.745 1.00 0.00 C ATOM 801 O GLU A 54 -2.548 10.077 -10.309 1.00 0.00 O ATOM 802 CB GLU A 54 -4.223 11.951 -8.223 1.00 0.00 C ATOM 803 CG GLU A 54 -3.622 13.346 -8.300 1.00 0.00 C ATOM 804 CD GLU A 54 -2.107 13.326 -8.352 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.514 12.278 -8.022 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.513 14.361 -8.723 1.00 0.00 O ATOM 0 H GLU A 54 -6.439 11.020 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.161 12.028 -10.361 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.166 11.999 -7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.556 11.307 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.006 13.855 -9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.945 13.925 -7.435 1.00 0.00 H new ATOM 813 N LEU A 55 -4.164 8.942 -9.232 1.00 0.00 N ATOM 814 CA LEU A 55 -3.460 7.672 -9.312 1.00 0.00 C ATOM 815 C LEU A 55 -3.315 7.225 -10.759 1.00 0.00 C ATOM 816 O LEU A 55 -2.323 6.601 -11.133 1.00 0.00 O ATOM 817 CB LEU A 55 -4.176 6.600 -8.503 1.00 0.00 C ATOM 818 CG LEU A 55 -3.944 6.655 -6.996 1.00 0.00 C ATOM 819 CD1 LEU A 55 -4.223 8.037 -6.459 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.836 5.663 -6.301 1.00 0.00 C ATOM 0 H LEU A 55 -5.067 8.898 -8.759 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.465 7.817 -8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.246 6.680 -8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.860 5.622 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.900 6.407 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.051 8.051 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.561 8.756 -6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.260 8.305 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.663 5.709 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.879 5.901 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.613 4.659 -6.661 1.00 0.00 H new ATOM 832 N LEU A 56 -4.303 7.566 -11.576 1.00 0.00 N ATOM 833 CA LEU A 56 -4.263 7.216 -12.987 1.00 0.00 C ATOM 834 C LEU A 56 -3.125 7.966 -13.665 1.00 0.00 C ATOM 835 O LEU A 56 -2.464 7.442 -14.562 1.00 0.00 O ATOM 836 CB LEU A 56 -5.593 7.549 -13.665 1.00 0.00 C ATOM 837 CG LEU A 56 -6.648 6.439 -13.605 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.932 6.953 -12.975 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.922 5.875 -14.992 1.00 0.00 C ATOM 0 H LEU A 56 -5.135 8.081 -11.288 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.094 6.143 -13.079 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.005 8.446 -13.202 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.400 7.790 -14.710 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.257 5.635 -12.982 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.668 6.150 -12.942 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.727 7.299 -11.962 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.323 7.779 -13.569 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.674 5.089 -14.923 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.287 6.670 -15.643 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.002 5.462 -15.405 1.00 0.00 H new ATOM 851 N HIS A 57 -2.898 9.198 -13.216 1.00 0.00 N ATOM 852 CA HIS A 57 -1.835 10.030 -13.768 1.00 0.00 C ATOM 853 C HIS A 57 -0.464 9.433 -13.470 1.00 0.00 C ATOM 854 O HIS A 57 0.424 9.439 -14.320 1.00 0.00 O ATOM 855 CB HIS A 57 -1.913 11.444 -13.194 1.00 0.00 C ATOM 856 CG HIS A 57 -3.073 12.238 -13.705 1.00 0.00 C ATOM 857 ND1 HIS A 57 -3.347 12.394 -15.047 1.00 0.00 N ATOM 858 CD2 HIS A 57 -4.030 12.931 -13.047 1.00 0.00 C ATOM 859 CE1 HIS A 57 -4.421 13.149 -15.193 1.00 0.00 C ATOM 860 NE2 HIS A 57 -4.856 13.487 -13.993 1.00 0.00 N ATOM 0 H HIS A 57 -3.436 9.641 -12.472 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.971 10.072 -14.849 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.977 11.382 -12.108 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.990 11.974 -13.430 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -2.804 11.989 -15.810 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.127 13.029 -11.976 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.867 13.440 -16.133 1.00 0.00 H new ATOM 868 N MET A 58 -0.293 8.924 -12.256 1.00 0.00 N ATOM 869 CA MET A 58 0.979 8.333 -11.862 1.00 0.00 C ATOM 870 C MET A 58 1.239 7.035 -12.617 1.00 0.00 C ATOM 871 O MET A 58 2.361 6.770 -13.047 1.00 0.00 O ATOM 872 CB MET A 58 1.041 8.076 -10.357 1.00 0.00 C ATOM 873 CG MET A 58 -0.248 7.586 -9.730 1.00 0.00 C ATOM 874 SD MET A 58 -0.199 7.683 -7.929 1.00 0.00 S ATOM 875 CE MET A 58 -0.842 9.335 -7.673 1.00 0.00 C ATOM 0 H MET A 58 -1.012 8.908 -11.533 1.00 0.00 H new ATOM 0 HA MET A 58 1.755 9.054 -12.119 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.822 7.341 -10.162 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.340 8.999 -9.860 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.082 8.180 -10.103 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.430 6.555 -10.033 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.943 9.525 -6.604 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.158 10.063 -8.108 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.818 9.424 -8.151 1.00 0.00 H new ATOM 885 N LEU A 59 0.197 6.225 -12.772 1.00 0.00 N ATOM 886 CA LEU A 59 0.328 4.953 -13.472 1.00 0.00 C ATOM 887 C LEU A 59 0.786 5.185 -14.909 1.00 0.00 C ATOM 888 O LEU A 59 1.350 4.292 -15.543 1.00 0.00 O ATOM 889 CB LEU A 59 -1.007 4.192 -13.443 1.00 0.00 C ATOM 890 CG LEU A 59 -1.240 3.213 -14.604 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.875 1.924 -14.101 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.105 3.858 -15.680 1.00 0.00 C ATOM 0 H LEU A 59 -0.741 6.425 -12.425 1.00 0.00 H new ATOM 0 HA LEU A 59 1.080 4.348 -12.966 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.068 3.638 -12.506 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.819 4.919 -13.436 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.274 2.965 -15.044 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.032 1.244 -14.939 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.216 1.454 -13.371 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.833 2.149 -13.632 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.260 3.151 -16.495 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.068 4.137 -15.253 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.606 4.748 -16.063 1.00 0.00 H new ATOM 904 N GLU A 60 0.554 6.392 -15.416 1.00 0.00 N ATOM 905 CA GLU A 60 0.958 6.735 -16.776 1.00 0.00 C ATOM 906 C GLU A 60 2.281 7.504 -16.784 1.00 0.00 C ATOM 907 O GLU A 60 2.840 7.777 -17.846 1.00 0.00 O ATOM 908 CB GLU A 60 -0.133 7.555 -17.469 1.00 0.00 C ATOM 909 CG GLU A 60 -0.421 8.889 -16.800 1.00 0.00 C ATOM 910 CD GLU A 60 -1.234 9.820 -17.680 1.00 0.00 C ATOM 911 OE1 GLU A 60 -1.324 9.560 -18.898 1.00 0.00 O ATOM 912 OE2 GLU A 60 -1.781 10.810 -17.149 1.00 0.00 O ATOM 0 H GLU A 60 0.091 7.146 -14.909 1.00 0.00 H new ATOM 0 HA GLU A 60 1.103 5.804 -17.325 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.163 7.735 -18.503 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.051 6.969 -17.498 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.958 8.715 -15.868 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.521 9.372 -16.540 1.00 0.00 H new ATOM 919 N SER A 61 2.780 7.846 -15.597 1.00 0.00 N ATOM 920 CA SER A 61 4.039 8.575 -15.474 1.00 0.00 C ATOM 921 C SER A 61 4.825 8.099 -14.252 1.00 0.00 C ATOM 922 O SER A 61 4.508 8.468 -13.122 1.00 0.00 O ATOM 923 CB SER A 61 3.776 10.078 -15.369 1.00 0.00 C ATOM 924 OG SER A 61 2.608 10.445 -16.080 1.00 0.00 O ATOM 0 H SER A 61 2.331 7.629 -14.707 1.00 0.00 H new ATOM 0 HA SER A 61 4.632 8.379 -16.367 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.670 10.359 -14.321 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.631 10.628 -15.762 1.00 0.00 H new ATOM 0 HG SER A 61 2.463 11.410 -15.995 1.00 0.00 H new ATOM 930 N PRO A 62 5.867 7.271 -14.460 1.00 0.00 N ATOM 931 CA PRO A 62 6.692 6.750 -13.364 1.00 0.00 C ATOM 932 C PRO A 62 7.191 7.853 -12.435 1.00 0.00 C ATOM 933 O PRO A 62 7.330 7.647 -11.229 1.00 0.00 O ATOM 934 CB PRO A 62 7.871 6.093 -14.086 1.00 0.00 C ATOM 935 CG PRO A 62 7.336 5.725 -15.426 1.00 0.00 C ATOM 936 CD PRO A 62 6.322 6.778 -15.774 1.00 0.00 C ATOM 0 HA PRO A 62 6.131 6.069 -12.724 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.715 6.778 -14.171 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.226 5.215 -13.547 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.134 5.692 -16.168 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.879 4.736 -15.405 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.762 7.577 -16.371 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.497 6.364 -16.354 1.00 0.00 H new ATOM 944 N GLU A 63 7.466 9.022 -13.006 1.00 0.00 N ATOM 945 CA GLU A 63 7.957 10.159 -12.235 1.00 0.00 C ATOM 946 C GLU A 63 7.029 10.479 -11.065 1.00 0.00 C ATOM 947 O GLU A 63 7.462 10.531 -9.913 1.00 0.00 O ATOM 948 CB GLU A 63 8.104 11.393 -13.130 1.00 0.00 C ATOM 949 CG GLU A 63 6.960 11.584 -14.115 1.00 0.00 C ATOM 950 CD GLU A 63 7.438 11.701 -15.548 1.00 0.00 C ATOM 951 OE1 GLU A 63 8.463 12.376 -15.778 1.00 0.00 O ATOM 952 OE2 GLU A 63 6.788 11.117 -16.441 1.00 0.00 O ATOM 0 H GLU A 63 7.357 9.207 -14.003 1.00 0.00 H new ATOM 0 HA GLU A 63 8.934 9.887 -11.835 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.179 12.279 -12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.039 11.317 -13.685 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.271 10.743 -14.033 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.401 12.481 -13.848 1.00 0.00 H new ATOM 959 N SER A 64 5.752 10.686 -11.366 1.00 0.00 N ATOM 960 CA SER A 64 4.760 10.994 -10.346 1.00 0.00 C ATOM 961 C SER A 64 4.366 9.722 -9.618 1.00 0.00 C ATOM 962 O SER A 64 4.008 9.742 -8.442 1.00 0.00 O ATOM 963 CB SER A 64 3.530 11.636 -10.987 1.00 0.00 C ATOM 964 OG SER A 64 3.263 12.909 -10.422 1.00 0.00 O ATOM 0 H SER A 64 5.379 10.645 -12.315 1.00 0.00 H new ATOM 0 HA SER A 64 5.188 11.697 -9.631 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.687 11.738 -12.061 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.665 10.986 -10.852 1.00 0.00 H new ATOM 0 HG SER A 64 2.473 13.298 -10.851 1.00 0.00 H new ATOM 970 N LEU A 65 4.435 8.616 -10.345 1.00 0.00 N ATOM 971 CA LEU A 65 4.089 7.316 -9.810 1.00 0.00 C ATOM 972 C LEU A 65 4.916 7.013 -8.582 1.00 0.00 C ATOM 973 O LEU A 65 4.386 6.903 -7.477 1.00 0.00 O ATOM 974 CB LEU A 65 4.330 6.247 -10.878 1.00 0.00 C ATOM 975 CG LEU A 65 3.400 5.040 -10.827 1.00 0.00 C ATOM 976 CD1 LEU A 65 3.623 4.161 -12.047 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.623 4.250 -9.551 1.00 0.00 C ATOM 0 H LEU A 65 4.732 8.599 -11.321 1.00 0.00 H new ATOM 0 HA LEU A 65 3.037 7.317 -9.526 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.237 6.713 -11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.358 5.895 -10.788 1.00 0.00 H new ATOM 0 HG LEU A 65 2.368 5.391 -10.833 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.955 3.301 -12.003 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.417 4.734 -12.951 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.657 3.817 -12.063 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.951 3.392 -9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.655 3.903 -9.514 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.423 4.887 -8.689 1.00 0.00 H new ATOM 989 N ARG A 66 6.211 6.877 -8.773 1.00 0.00 N ATOM 990 CA ARG A 66 7.092 6.584 -7.659 1.00 0.00 C ATOM 991 C ARG A 66 7.070 7.715 -6.639 1.00 0.00 C ATOM 992 O ARG A 66 7.277 7.496 -5.451 1.00 0.00 O ATOM 993 CB ARG A 66 8.518 6.339 -8.153 1.00 0.00 C ATOM 994 CG ARG A 66 9.366 5.563 -7.164 1.00 0.00 C ATOM 995 CD ARG A 66 10.850 5.834 -7.357 1.00 0.00 C ATOM 996 NE ARG A 66 11.609 4.596 -7.529 1.00 0.00 N ATOM 997 CZ ARG A 66 12.894 4.461 -7.208 1.00 0.00 C ATOM 998 NH1 ARG A 66 13.575 5.490 -6.719 1.00 0.00 N ATOM 999 NH2 ARG A 66 13.498 3.293 -7.379 1.00 0.00 N ATOM 0 H ARG A 66 6.675 6.963 -9.677 1.00 0.00 H new ATOM 0 HA ARG A 66 6.733 5.678 -7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.481 5.794 -9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.995 7.298 -8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.077 5.832 -6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.173 4.496 -7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.993 6.472 -8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.235 6.380 -6.496 1.00 0.00 H new ATOM 0 HE ARG A 66 11.125 3.787 -7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.114 6.390 -6.587 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.559 5.380 -6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.978 2.500 -7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.482 3.187 -7.134 1.00 0.00 H new ATOM 1013 N SER A 67 6.815 8.926 -7.114 1.00 0.00 N ATOM 1014 CA SER A 67 6.772 10.097 -6.247 1.00 0.00 C ATOM 1015 C SER A 67 5.850 9.888 -5.044 1.00 0.00 C ATOM 1016 O SER A 67 6.238 10.143 -3.903 1.00 0.00 O ATOM 1017 CB SER A 67 6.323 11.317 -7.049 1.00 0.00 C ATOM 1018 OG SER A 67 7.423 12.155 -7.356 1.00 0.00 O ATOM 0 H SER A 67 6.634 9.124 -8.098 1.00 0.00 H new ATOM 0 HA SER A 67 7.778 10.261 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.840 10.993 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.581 11.878 -6.480 1.00 0.00 H new ATOM 0 HG SER A 67 7.770 11.927 -8.244 1.00 0.00 H new ATOM 1024 N LYS A 68 4.627 9.437 -5.305 1.00 0.00 N ATOM 1025 CA LYS A 68 3.652 9.214 -4.238 1.00 0.00 C ATOM 1026 C LYS A 68 3.906 7.903 -3.502 1.00 0.00 C ATOM 1027 O LYS A 68 3.950 7.873 -2.273 1.00 0.00 O ATOM 1028 CB LYS A 68 2.224 9.223 -4.796 1.00 0.00 C ATOM 1029 CG LYS A 68 2.047 10.086 -6.035 1.00 0.00 C ATOM 1030 CD LYS A 68 2.565 11.499 -5.815 1.00 0.00 C ATOM 1031 CE LYS A 68 1.642 12.530 -6.442 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.228 12.339 -6.017 1.00 0.00 N ATOM 0 H LYS A 68 4.287 9.219 -6.241 1.00 0.00 H new ATOM 0 HA LYS A 68 3.766 10.031 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.932 8.200 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.545 9.576 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.575 9.631 -6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.992 10.123 -6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.657 11.692 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.563 11.593 -6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.973 13.531 -6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.707 12.463 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.326 11.963 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.192 11.668 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.171 13.252 -5.718 1.00 0.00 H new ATOM 1046 N VAL A 69 4.075 6.821 -4.255 1.00 0.00 N ATOM 1047 CA VAL A 69 4.324 5.510 -3.664 1.00 0.00 C ATOM 1048 C VAL A 69 5.554 5.526 -2.769 1.00 0.00 C ATOM 1049 O VAL A 69 5.497 5.103 -1.613 1.00 0.00 O ATOM 1050 CB VAL A 69 4.530 4.436 -4.746 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.553 3.048 -4.119 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.454 4.539 -5.821 1.00 0.00 C ATOM 0 H VAL A 69 4.044 6.825 -5.275 1.00 0.00 H new ATOM 0 HA VAL A 69 3.442 5.269 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 69 5.494 4.606 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.699 2.299 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.369 2.987 -3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.607 2.863 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.619 3.770 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.473 4.398 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.500 5.522 -6.289 1.00 0.00 H new ATOM 1062 N ASP A 70 6.667 6.015 -3.307 1.00 0.00 N ATOM 1063 CA ASP A 70 7.911 6.080 -2.545 1.00 0.00 C ATOM 1064 C ASP A 70 7.656 6.730 -1.193 1.00 0.00 C ATOM 1065 O ASP A 70 7.956 6.154 -0.149 1.00 0.00 O ATOM 1066 CB ASP A 70 8.987 6.859 -3.308 1.00 0.00 C ATOM 1067 CG ASP A 70 10.364 6.243 -3.152 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.531 5.064 -3.531 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.273 6.936 -2.652 1.00 0.00 O ATOM 0 H ASP A 70 6.734 6.370 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 70 8.273 5.063 -2.395 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.725 6.895 -4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.009 7.888 -2.950 1.00 0.00 H new ATOM 1074 N GLU A 71 7.087 7.932 -1.225 1.00 0.00 N ATOM 1075 CA GLU A 71 6.777 8.660 -0.002 1.00 0.00 C ATOM 1076 C GLU A 71 6.057 7.750 0.977 1.00 0.00 C ATOM 1077 O GLU A 71 6.441 7.655 2.141 1.00 0.00 O ATOM 1078 CB GLU A 71 5.928 9.889 -0.324 1.00 0.00 C ATOM 1079 CG GLU A 71 6.735 11.171 -0.475 1.00 0.00 C ATOM 1080 CD GLU A 71 8.050 10.983 -1.213 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.158 10.026 -2.008 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.971 11.796 -0.994 1.00 0.00 O ATOM 0 H GLU A 71 6.832 8.420 -2.084 1.00 0.00 H new ATOM 0 HA GLU A 71 7.706 8.995 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.377 9.707 -1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.190 10.026 0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.133 11.908 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.939 11.580 0.515 1.00 0.00 H new ATOM 1089 N ALA A 72 5.032 7.059 0.488 1.00 0.00 N ATOM 1090 CA ALA A 72 4.275 6.128 1.314 1.00 0.00 C ATOM 1091 C ALA A 72 5.213 5.263 2.139 1.00 0.00 C ATOM 1092 O ALA A 72 5.083 5.157 3.353 1.00 0.00 O ATOM 1093 CB ALA A 72 3.415 5.235 0.437 1.00 0.00 C ATOM 0 H ALA A 72 4.707 7.127 -0.477 1.00 0.00 H new ATOM 0 HA ALA A 72 3.639 6.706 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.853 4.542 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.722 5.849 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.052 4.672 -0.245 1.00 0.00 H new ATOM 1099 N VAL A 73 6.159 4.647 1.453 1.00 0.00 N ATOM 1100 CA VAL A 73 7.126 3.779 2.101 1.00 0.00 C ATOM 1101 C VAL A 73 7.802 4.480 3.273 1.00 0.00 C ATOM 1102 O VAL A 73 8.001 3.881 4.324 1.00 0.00 O ATOM 1103 CB VAL A 73 8.196 3.286 1.108 1.00 0.00 C ATOM 1104 CG1 VAL A 73 9.021 2.165 1.725 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.545 2.830 -0.197 1.00 0.00 C ATOM 0 H VAL A 73 6.278 4.732 0.444 1.00 0.00 H new ATOM 0 HA VAL A 73 6.575 2.917 2.477 1.00 0.00 H new ATOM 0 HB VAL A 73 8.867 4.115 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.772 1.829 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.516 2.530 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.367 1.332 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.315 2.485 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.850 2.015 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.004 3.664 -0.645 1.00 0.00 H new ATOM 1115 N ALA A 74 8.156 5.744 3.096 1.00 0.00 N ATOM 1116 CA ALA A 74 8.809 6.496 4.156 1.00 0.00 C ATOM 1117 C ALA A 74 7.824 6.861 5.266 1.00 0.00 C ATOM 1118 O ALA A 74 8.016 6.492 6.425 1.00 0.00 O ATOM 1119 CB ALA A 74 9.463 7.745 3.590 1.00 0.00 C ATOM 0 H ALA A 74 8.003 6.268 2.234 1.00 0.00 H new ATOM 0 HA ALA A 74 9.581 5.863 4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.948 8.298 4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.207 7.461 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.704 8.373 3.124 1.00 0.00 H new ATOM 1125 N VAL A 75 6.774 7.596 4.905 1.00 0.00 N ATOM 1126 CA VAL A 75 5.765 8.021 5.871 1.00 0.00 C ATOM 1127 C VAL A 75 5.026 6.847 6.478 1.00 0.00 C ATOM 1128 O VAL A 75 5.012 6.666 7.691 1.00 0.00 O ATOM 1129 CB VAL A 75 4.733 8.968 5.226 1.00 0.00 C ATOM 1130 CG1 VAL A 75 4.103 8.385 3.968 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.664 9.377 6.233 1.00 0.00 C ATOM 0 H VAL A 75 6.600 7.909 3.950 1.00 0.00 H new ATOM 0 HA VAL A 75 6.306 8.546 6.659 1.00 0.00 H new ATOM 0 HB VAL A 75 5.278 9.860 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.385 9.095 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.880 8.187 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.592 7.454 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.949 10.045 5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.146 8.489 6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.133 9.890 7.073 1.00 0.00 H new ATOM 1141 N LEU A 76 4.387 6.080 5.622 1.00 0.00 N ATOM 1142 CA LEU A 76 3.593 4.933 6.057 1.00 0.00 C ATOM 1143 C LEU A 76 4.376 4.047 7.012 1.00 0.00 C ATOM 1144 O LEU A 76 3.928 3.771 8.126 1.00 0.00 O ATOM 1145 CB LEU A 76 3.152 4.116 4.850 1.00 0.00 C ATOM 1146 CG LEU A 76 1.792 3.449 4.985 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.204 3.196 3.609 1.00 0.00 C ATOM 1148 CD2 LEU A 76 1.914 2.151 5.773 1.00 0.00 C ATOM 0 H LEU A 76 4.397 6.225 4.612 1.00 0.00 H new ATOM 0 HA LEU A 76 2.718 5.314 6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.135 4.768 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.900 3.346 4.659 1.00 0.00 H new ATOM 0 HG LEU A 76 1.121 4.112 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.230 2.718 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.090 4.143 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.870 2.544 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.932 1.685 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.592 1.473 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.305 2.365 6.768 1.00 0.00 H new ATOM 1160 N GLN A 77 5.545 3.614 6.577 1.00 0.00 N ATOM 1161 CA GLN A 77 6.387 2.768 7.412 1.00 0.00 C ATOM 1162 C GLN A 77 6.569 3.423 8.783 1.00 0.00 C ATOM 1163 O GLN A 77 6.676 2.742 9.802 1.00 0.00 O ATOM 1164 CB GLN A 77 7.744 2.534 6.752 1.00 0.00 C ATOM 1165 CG GLN A 77 8.143 1.069 6.670 1.00 0.00 C ATOM 1166 CD GLN A 77 9.577 0.833 7.105 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.944 1.105 8.247 1.00 0.00 O ATOM 1168 NE2 GLN A 77 10.396 0.327 6.191 1.00 0.00 N ATOM 0 H GLN A 77 5.933 3.830 5.659 1.00 0.00 H new ATOM 0 HA GLN A 77 5.901 1.800 7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.725 2.952 5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.507 3.078 7.309 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.475 0.478 7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.015 0.717 5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.048 0.116 5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.373 0.149 6.424 1.00 0.00 H new ATOM 1177 N ALA A 78 6.595 4.758 8.785 1.00 0.00 N ATOM 1178 CA ALA A 78 6.753 5.533 10.014 1.00 0.00 C ATOM 1179 C ALA A 78 5.429 5.672 10.762 1.00 0.00 C ATOM 1180 O ALA A 78 5.344 5.372 11.953 1.00 0.00 O ATOM 1181 CB ALA A 78 7.323 6.910 9.696 1.00 0.00 C ATOM 0 H ALA A 78 6.508 5.326 7.942 1.00 0.00 H new ATOM 0 HA ALA A 78 7.447 4.997 10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.437 7.479 10.619 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.295 6.799 9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.645 7.438 9.025 1.00 0.00 H new ATOM 1187 N HIS A 79 4.396 6.132 10.055 1.00 0.00 N ATOM 1188 CA HIS A 79 3.073 6.315 10.648 1.00 0.00 C ATOM 1189 C HIS A 79 2.455 4.977 11.053 1.00 0.00 C ATOM 1190 O HIS A 79 1.399 4.940 11.684 1.00 0.00 O ATOM 1191 CB HIS A 79 2.149 7.046 9.669 1.00 0.00 C ATOM 1192 CG HIS A 79 1.574 8.314 10.222 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.443 8.347 11.010 1.00 0.00 N ATOM 1194 CD2 HIS A 79 1.977 9.600 10.097 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.174 9.598 11.345 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.092 10.376 10.803 1.00 0.00 N ATOM 0 H HIS A 79 4.452 6.385 9.068 1.00 0.00 H new ATOM 0 HA HIS A 79 3.191 6.919 11.548 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.705 7.275 8.760 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.334 6.380 9.385 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.836 9.951 9.544 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.654 9.926 11.956 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.137 11.391 10.894 1.00 0.00 H new ATOM 1536 N LYS B 5 5.203 12.917 4.671 1.00 0.00 N ATOM 1537 CA LYS B 5 5.466 12.724 3.249 1.00 0.00 C ATOM 1538 C LYS B 5 4.285 13.189 2.395 1.00 0.00 C ATOM 1539 O LYS B 5 3.298 13.711 2.913 1.00 0.00 O ATOM 1540 CB LYS B 5 5.773 11.256 2.965 1.00 0.00 C ATOM 1541 CG LYS B 5 7.014 10.745 3.684 1.00 0.00 C ATOM 1542 CD LYS B 5 8.270 10.924 2.846 1.00 0.00 C ATOM 1543 CE LYS B 5 8.881 12.304 3.038 1.00 0.00 C ATOM 1544 NZ LYS B 5 8.563 13.223 1.909 1.00 0.00 N ATOM 0 HA LYS B 5 6.332 13.330 2.983 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.916 10.650 3.260 1.00 0.00 H new ATOM 0 HB3 LYS B 5 5.904 11.121 1.891 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.130 11.275 4.629 1.00 0.00 H new ATOM 0 HG3 LYS B 5 6.885 9.690 3.924 1.00 0.00 H new ATOM 0 HD2 LYS B 5 9.000 10.162 3.117 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.030 10.775 1.793 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.514 12.735 3.969 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.963 12.210 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 8.708 14.207 2.211 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.187 13.013 1.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 7.572 13.091 1.623 1.00 0.00 H new ATOM 1558 N LEU B 6 4.400 12.995 1.083 1.00 0.00 N ATOM 1559 CA LEU B 6 3.352 13.392 0.144 1.00 0.00 C ATOM 1560 C LEU B 6 2.097 12.537 0.324 1.00 0.00 C ATOM 1561 O LEU B 6 0.979 13.052 0.305 1.00 0.00 O ATOM 1562 CB LEU B 6 3.855 13.268 -1.298 1.00 0.00 C ATOM 1563 CG LEU B 6 4.933 14.279 -1.711 1.00 0.00 C ATOM 1564 CD1 LEU B 6 6.014 13.604 -2.545 1.00 0.00 C ATOM 1565 CD2 LEU B 6 4.314 15.436 -2.483 1.00 0.00 C ATOM 0 H LEU B 6 5.213 12.563 0.644 1.00 0.00 H new ATOM 0 HA LEU B 6 3.096 14.431 0.351 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.251 12.263 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.005 13.375 -1.971 1.00 0.00 H new ATOM 0 HG LEU B 6 5.393 14.673 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.768 14.339 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.481 12.810 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.568 13.179 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.094 16.142 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.825 15.055 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.579 15.940 -1.856 1.00 0.00 H new ATOM 1577 N SER B 7 2.287 11.230 0.503 1.00 0.00 N ATOM 1578 CA SER B 7 1.169 10.318 0.691 1.00 0.00 C ATOM 1579 C SER B 7 1.106 9.829 2.135 1.00 0.00 C ATOM 1580 O SER B 7 1.596 8.745 2.454 1.00 0.00 O ATOM 1581 CB SER B 7 1.299 9.125 -0.253 1.00 0.00 C ATOM 1582 OG SER B 7 2.609 8.582 -0.214 1.00 0.00 O ATOM 0 H SER B 7 3.204 10.784 0.521 1.00 0.00 H new ATOM 0 HA SER B 7 0.248 10.856 0.466 1.00 0.00 H new ATOM 0 HB2 SER B 7 0.576 8.358 0.024 1.00 0.00 H new ATOM 0 HB3 SER B 7 1.061 9.435 -1.270 1.00 0.00 H new ATOM 0 HG SER B 7 2.935 8.448 -1.128 1.00 0.00 H new ATOM 1588 N VAL B 8 0.502 10.632 3.008 1.00 0.00 N ATOM 1589 CA VAL B 8 0.386 10.271 4.414 1.00 0.00 C ATOM 1590 C VAL B 8 -0.385 8.967 4.580 1.00 0.00 C ATOM 1591 O VAL B 8 -0.866 8.389 3.605 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.297 11.381 5.239 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.532 12.654 5.211 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.704 11.641 4.732 1.00 0.00 C ATOM 0 H VAL B 8 0.088 11.532 2.766 1.00 0.00 H new ATOM 0 HA VAL B 8 1.401 10.140 4.790 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.369 11.044 6.273 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.034 13.425 5.798 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.517 12.456 5.633 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.640 12.995 4.181 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.166 12.427 5.329 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.663 11.954 3.689 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.295 10.729 4.814 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.488 8.499 5.817 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.183 7.253 6.114 1.00 0.00 C ATOM 1606 C ASN B 9 -2.700 7.450 6.163 1.00 0.00 C ATOM 1607 O ASN B 9 -3.333 7.169 7.183 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.686 6.698 7.450 1.00 0.00 C ATOM 1609 CG ASN B 9 -0.921 5.209 7.588 1.00 0.00 C ATOM 1610 OD1 ASN B 9 0.021 4.416 7.564 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -2.181 4.819 7.735 1.00 0.00 N ATOM 0 H ASN B 9 -0.097 8.966 6.635 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.967 6.545 5.314 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.380 6.904 7.551 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.190 7.218 8.265 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.400 3.828 7.834 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.931 5.511 7.749 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.283 7.949 5.073 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.724 8.198 5.020 1.00 0.00 C ATOM 1620 C ALA B 10 -5.539 6.969 5.423 1.00 0.00 C ATOM 1621 O ALA B 10 -4.978 5.939 5.795 1.00 0.00 O ATOM 1622 CB ALA B 10 -5.113 8.659 3.626 1.00 0.00 C ATOM 0 H ALA B 10 -2.782 8.188 4.217 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.953 8.982 5.742 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.187 8.843 3.590 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.579 9.578 3.384 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.853 7.887 2.902 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.886 7.075 5.366 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.792 5.978 5.731 1.00 0.00 C ATOM 1630 C PRO B 11 -7.439 4.660 5.044 1.00 0.00 C ATOM 1631 O PRO B 11 -6.307 4.463 4.605 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.160 6.481 5.270 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.049 7.962 5.342 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.633 8.282 4.953 1.00 0.00 C ATOM 0 HA PRO B 11 -7.742 5.751 6.796 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.386 6.148 4.257 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.958 6.110 5.913 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.758 8.441 4.667 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.270 8.323 6.346 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.542 8.465 3.882 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.268 9.175 5.461 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.419 3.768 4.925 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.221 2.484 4.257 1.00 0.00 C ATOM 1644 C GLU B 12 -8.366 2.610 2.740 1.00 0.00 C ATOM 1645 O GLU B 12 -8.584 3.698 2.209 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.223 1.459 4.790 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.599 0.114 5.118 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.840 0.131 6.430 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -6.881 0.923 6.549 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -8.203 -0.645 7.337 1.00 0.00 O ATOM 0 H GLU B 12 -9.363 3.912 5.284 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.206 2.150 4.471 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.697 1.859 5.686 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -10.011 1.314 4.050 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.381 -0.644 5.164 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.922 -0.175 4.314 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.266 1.471 2.056 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.412 1.437 0.603 1.00 0.00 C ATOM 1659 C PHE B 13 -9.786 0.885 0.224 1.00 0.00 C ATOM 1660 O PHE B 13 -10.101 -0.280 0.476 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.282 0.631 -0.051 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.405 -0.858 0.067 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -7.089 -1.509 1.249 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.815 -1.609 -1.019 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -7.188 -2.884 1.342 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.909 -2.981 -0.930 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.598 -3.617 0.247 1.00 0.00 C ATOM 0 H PHE B 13 -8.085 0.563 2.484 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.338 2.456 0.224 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.237 0.892 -1.108 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.335 0.937 0.394 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.763 -0.937 2.105 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -8.064 -1.115 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.945 -3.383 2.268 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -8.227 -3.557 -1.786 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.674 -4.692 0.316 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.588 1.743 -0.403 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.931 1.389 -0.861 1.00 0.00 C ATOM 1679 C TYR B 14 -12.031 1.521 -2.385 1.00 0.00 C ATOM 1680 O TYR B 14 -11.121 2.052 -3.022 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.974 2.279 -0.178 1.00 0.00 C ATOM 1682 CG TYR B 14 -12.524 3.704 0.036 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -11.576 4.019 1.002 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -13.049 4.734 -0.731 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -11.166 5.324 1.198 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -12.644 6.041 -0.541 1.00 0.00 C ATOM 1687 CZ TYR B 14 -11.703 6.330 0.423 1.00 0.00 C ATOM 1688 OH TYR B 14 -11.296 7.631 0.611 1.00 0.00 O ATOM 0 H TYR B 14 -10.324 2.707 -0.609 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.128 0.351 -0.593 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -13.883 2.283 -0.780 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.233 1.842 0.787 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.153 3.232 1.609 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -13.786 4.511 -1.488 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -10.430 5.554 1.954 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -13.063 6.832 -1.145 1.00 0.00 H new ATOM 0 HH TYR B 14 -11.770 8.216 -0.016 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.141 1.058 -2.995 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.339 1.155 -4.450 1.00 0.00 C ATOM 1700 C PRO B 15 -13.417 2.603 -4.939 1.00 0.00 C ATOM 1701 O PRO B 15 -14.474 3.237 -4.890 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.676 0.460 -4.684 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.370 0.503 -3.368 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.290 0.410 -2.331 1.00 0.00 C ATOM 0 HA PRO B 15 -12.505 0.709 -4.992 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.256 0.970 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.533 -0.567 -5.021 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.940 1.425 -3.257 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.076 -0.322 -3.272 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.568 0.924 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.073 -0.625 -2.065 1.00 0.00 H new ATOM 1712 N SER B 16 -12.297 3.113 -5.428 1.00 0.00 N ATOM 1713 CA SER B 16 -12.221 4.476 -5.936 1.00 0.00 C ATOM 1714 C SER B 16 -13.294 4.731 -6.988 1.00 0.00 C ATOM 1715 O SER B 16 -14.234 5.493 -6.759 1.00 0.00 O ATOM 1716 CB SER B 16 -10.840 4.712 -6.525 1.00 0.00 C ATOM 1717 OG SER B 16 -10.641 3.920 -7.677 1.00 0.00 O ATOM 0 H SER B 16 -11.419 2.597 -5.484 1.00 0.00 H new ATOM 0 HA SER B 16 -12.393 5.169 -5.112 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.724 5.766 -6.779 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.078 4.477 -5.782 1.00 0.00 H new ATOM 0 HG SER B 16 -11.037 4.367 -8.454 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.153 4.083 -8.137 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.120 4.244 -9.203 1.00 0.00 C ATOM 1725 C GLY B 17 -15.336 3.364 -9.006 1.00 0.00 C ATOM 1726 O GLY B 17 -15.711 2.602 -9.897 1.00 0.00 O ATOM 0 H GLY B 17 -12.384 3.447 -8.349 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.432 5.287 -9.254 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.650 4.005 -10.157 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.967 3.478 -7.837 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.158 2.697 -7.533 1.00 0.00 C ATOM 1732 C TYR B 18 -18.352 3.206 -8.335 1.00 0.00 C ATOM 1733 O TYR B 18 -19.332 3.695 -7.771 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.459 2.776 -6.037 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.118 1.541 -5.481 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.517 0.294 -5.606 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.339 1.620 -4.828 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.118 -0.840 -5.094 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -19.946 0.492 -4.312 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.332 -0.735 -4.446 1.00 0.00 C ATOM 1741 OH TYR B 18 -19.935 -1.860 -3.935 1.00 0.00 O ATOM 0 H TYR B 18 -15.671 4.104 -7.088 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.976 1.658 -7.809 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.528 2.953 -5.498 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.104 3.635 -5.851 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.566 0.210 -6.111 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -19.823 2.580 -4.721 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.641 -1.803 -5.200 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -20.897 0.571 -3.806 1.00 0.00 H new ATOM 0 HH TYR B 18 -20.782 -1.612 -3.510 1.00 0.00 H new