USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 934 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 52 TYR OH : rot 129:sc= 0.396 USER MOD Set 1.2: A 65 GLN : amide:sc= -3.98! C(o=-3.6!,f=-4.8!) USER MOD Set 2.1: A 54 GLN : amide:sc= -4.36! C(o=-5!,f=-9!) USER MOD Set 2.2: A 88 TYR OH : rot 30:sc= -0.686 USER MOD Set 3.1: A 22 HIS : no HE2:sc= -0.729 K(o=0.16,f=-3.9!) USER MOD Set 3.2: A 37 THR OG1 : rot -101:sc= 0.886 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= -0.383 USER MOD Set 4.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 31 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.108 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 1.15 USER MOD Single : A 3 SER OG : rot 43:sc= 1.22 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0752 K(o=-0.075,f=-1.2!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0296) USER MOD Single : A 23 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.35) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.023) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0267 USER MOD Single : A 51 MET CE :methyl 164:sc= -0.0267 (180deg=-0.33) USER MOD Single : A 55 THR OG1 : rot -59:sc= 0.251 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -46:sc= 0.744 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 6:sc= 0.464 USER MOD Single : A 66 ASN : amide:sc= -0.0864 K(o=-0.086,f=0.69) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -1.16 USER MOD Single : A 81 ASN : amide:sc= -0.187 K(o=-0.19,f=-1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= -0.0484 (180deg=-0.361) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0709 K(o=-0.071,f=-1.4) USER MOD Single : A 100 GLN : amide:sc= -0.419! C(o=-0.42!,f=-4.3!) USER MOD Single : A 102 MET CE :methyl 168:sc= -0.0144 (180deg=-0.224) USER MOD Single : A 104 SER OG : rot 40:sc= 0.797 USER MOD Single : A 106 SER OG : rot 49:sc= 0.478 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 111 THR OG1 : rot 175:sc= 0.979 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.54 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.046 24.455 2.470 1.00 0.00 N ATOM 2 CA GLY A 1 -13.746 24.049 3.674 1.00 0.00 C ATOM 3 C GLY A 1 -15.121 24.677 3.784 1.00 0.00 C ATOM 4 O GLY A 1 -15.516 25.476 2.936 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.860 23.620 1.879 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.631 25.131 1.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.144 24.905 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.844 22.963 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.153 24.325 4.546 1.00 0.00 H new ATOM 8 N SER A 2 -15.854 24.314 4.833 1.00 0.00 N ATOM 9 CA SER A 2 -17.195 24.844 5.048 1.00 0.00 C ATOM 10 C SER A 2 -17.641 24.624 6.490 1.00 0.00 C ATOM 11 O SER A 2 -16.987 23.911 7.252 1.00 0.00 O ATOM 12 CB SER A 2 -18.187 24.184 4.089 1.00 0.00 C ATOM 13 OG SER A 2 -18.092 24.744 2.791 1.00 0.00 O ATOM 0 H SER A 2 -15.541 23.655 5.546 1.00 0.00 H new ATOM 0 HA SER A 2 -17.171 25.916 4.853 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.993 23.112 4.041 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.201 24.308 4.468 1.00 0.00 H new ATOM 0 HG SER A 2 -17.256 25.250 2.713 1.00 0.00 H new ATOM 19 N SER A 3 -18.759 25.241 6.858 1.00 0.00 N ATOM 20 CA SER A 3 -19.292 25.116 8.210 1.00 0.00 C ATOM 21 C SER A 3 -19.833 23.710 8.453 1.00 0.00 C ATOM 22 O SER A 3 -20.936 23.375 8.024 1.00 0.00 O ATOM 23 CB SER A 3 -20.398 26.148 8.442 1.00 0.00 C ATOM 24 OG SER A 3 -21.536 25.863 7.647 1.00 0.00 O ATOM 0 H SER A 3 -19.314 25.833 6.239 1.00 0.00 H new ATOM 0 HA SER A 3 -18.480 25.300 8.913 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.679 26.154 9.495 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.025 27.145 8.205 1.00 0.00 H new ATOM 0 HG SER A 3 -21.723 24.901 7.676 1.00 0.00 H new ATOM 30 N GLY A 4 -19.046 22.892 9.145 1.00 0.00 N ATOM 31 CA GLY A 4 -19.462 21.532 9.434 1.00 0.00 C ATOM 32 C GLY A 4 -18.521 20.830 10.394 1.00 0.00 C ATOM 33 O GLY A 4 -17.325 20.716 10.129 1.00 0.00 O ATOM 0 H GLY A 4 -18.128 23.147 9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.466 21.545 9.858 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.516 20.966 8.504 1.00 0.00 H new ATOM 37 N SER A 5 -19.063 20.359 11.513 1.00 0.00 N ATOM 38 CA SER A 5 -18.263 19.669 12.518 1.00 0.00 C ATOM 39 C SER A 5 -18.778 18.251 12.743 1.00 0.00 C ATOM 40 O SER A 5 -18.014 17.287 12.700 1.00 0.00 O ATOM 41 CB SER A 5 -18.282 20.446 13.836 1.00 0.00 C ATOM 42 OG SER A 5 -17.332 21.497 13.822 1.00 0.00 O ATOM 0 H SER A 5 -20.052 20.443 11.746 1.00 0.00 H new ATOM 0 HA SER A 5 -17.238 19.610 12.153 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.278 20.854 14.007 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.069 19.770 14.664 1.00 0.00 H new ATOM 0 HG SER A 5 -17.365 21.979 14.675 1.00 0.00 H new ATOM 48 N SER A 6 -20.080 18.132 12.983 1.00 0.00 N ATOM 49 CA SER A 6 -20.698 16.833 13.218 1.00 0.00 C ATOM 50 C SER A 6 -20.664 15.978 11.955 1.00 0.00 C ATOM 51 O SER A 6 -20.649 16.498 10.840 1.00 0.00 O ATOM 52 CB SER A 6 -22.143 17.009 13.689 1.00 0.00 C ATOM 53 OG SER A 6 -22.195 17.322 15.070 1.00 0.00 O ATOM 0 H SER A 6 -20.727 18.920 13.020 1.00 0.00 H new ATOM 0 HA SER A 6 -20.129 16.324 13.996 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.622 17.802 13.115 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.705 16.094 13.499 1.00 0.00 H new ATOM 0 HG SER A 6 -23.129 17.431 15.346 1.00 0.00 H new ATOM 59 N GLY A 7 -20.653 14.661 12.139 1.00 0.00 N ATOM 60 CA GLY A 7 -20.620 13.754 11.007 1.00 0.00 C ATOM 61 C GLY A 7 -21.921 13.751 10.229 1.00 0.00 C ATOM 62 O GLY A 7 -22.715 12.817 10.337 1.00 0.00 O ATOM 0 H GLY A 7 -20.666 14.206 13.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.803 14.037 10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.409 12.745 11.360 1.00 0.00 H new ATOM 66 N ARG A 8 -22.141 14.800 9.443 1.00 0.00 N ATOM 67 CA ARG A 8 -23.356 14.917 8.646 1.00 0.00 C ATOM 68 C ARG A 8 -23.080 14.583 7.183 1.00 0.00 C ATOM 69 O ARG A 8 -23.786 13.778 6.577 1.00 0.00 O ATOM 70 CB ARG A 8 -23.931 16.330 8.758 1.00 0.00 C ATOM 71 CG ARG A 8 -24.593 16.613 10.097 1.00 0.00 C ATOM 72 CD ARG A 8 -24.650 18.105 10.385 1.00 0.00 C ATOM 73 NE ARG A 8 -25.732 18.762 9.656 1.00 0.00 N ATOM 74 CZ ARG A 8 -25.907 20.079 9.629 1.00 0.00 C ATOM 75 NH1 ARG A 8 -25.074 20.875 10.286 1.00 0.00 N ATOM 76 NH2 ARG A 8 -26.915 20.602 8.943 1.00 0.00 N ATOM 0 H ARG A 8 -21.493 15.581 9.341 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.084 14.204 9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.131 17.053 8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.661 16.481 7.962 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -25.603 16.202 10.099 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.042 16.109 10.891 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -24.786 18.263 11.455 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -23.699 18.563 10.113 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.389 18.178 9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -24.297 20.477 10.813 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -25.210 21.886 10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -27.557 19.993 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -27.048 21.613 8.923 1.00 0.00 H new ATOM 90 N GLN A 9 -22.050 15.208 6.622 1.00 0.00 N ATOM 91 CA GLN A 9 -21.682 14.978 5.230 1.00 0.00 C ATOM 92 C GLN A 9 -20.781 13.755 5.100 1.00 0.00 C ATOM 93 O GLN A 9 -20.137 13.552 4.070 1.00 0.00 O ATOM 94 CB GLN A 9 -20.978 16.209 4.656 1.00 0.00 C ATOM 95 CG GLN A 9 -20.767 16.143 3.152 1.00 0.00 C ATOM 96 CD GLN A 9 -20.495 17.504 2.541 1.00 0.00 C ATOM 97 OE1 GLN A 9 -21.027 18.518 2.994 1.00 0.00 O ATOM 98 NE2 GLN A 9 -19.663 17.533 1.507 1.00 0.00 N ATOM 0 H GLN A 9 -21.455 15.878 7.110 1.00 0.00 H new ATOM 0 HA GLN A 9 -22.596 14.795 4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.565 17.096 4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -20.011 16.325 5.145 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -19.931 15.478 2.935 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -21.650 15.709 2.684 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.245 16.668 1.165 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.442 18.420 1.055 1.00 0.00 H new ATOM 107 N VAL A 10 -20.738 12.943 6.152 1.00 0.00 N ATOM 108 CA VAL A 10 -19.915 11.739 6.155 1.00 0.00 C ATOM 109 C VAL A 10 -20.444 10.710 5.163 1.00 0.00 C ATOM 110 O VAL A 10 -19.679 10.112 4.407 1.00 0.00 O ATOM 111 CB VAL A 10 -19.857 11.103 7.556 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.229 10.591 7.968 1.00 0.00 C ATOM 113 CG2 VAL A 10 -18.829 9.983 7.590 1.00 0.00 C ATOM 0 H VAL A 10 -21.263 13.097 7.013 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.910 12.041 5.860 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.552 11.868 8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.168 10.145 8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -21.937 11.420 7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.567 9.841 7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.801 9.545 8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.102 9.217 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.846 10.384 7.342 1.00 0.00 H new ATOM 123 N GLN A 11 -21.758 10.509 5.171 1.00 0.00 N ATOM 124 CA GLN A 11 -22.389 9.551 4.271 1.00 0.00 C ATOM 125 C GLN A 11 -22.464 10.104 2.852 1.00 0.00 C ATOM 126 O GLN A 11 -22.976 9.449 1.944 1.00 0.00 O ATOM 127 CB GLN A 11 -23.793 9.200 4.769 1.00 0.00 C ATOM 128 CG GLN A 11 -23.804 8.152 5.869 1.00 0.00 C ATOM 129 CD GLN A 11 -25.188 7.590 6.127 1.00 0.00 C ATOM 130 OE1 GLN A 11 -26.175 8.327 6.152 1.00 0.00 O ATOM 131 NE2 GLN A 11 -25.269 6.279 6.320 1.00 0.00 N ATOM 0 H GLN A 11 -22.406 10.996 5.790 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.779 8.648 4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.276 10.105 5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.388 8.840 3.930 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -23.131 7.339 5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.418 8.592 6.788 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.426 5.706 6.291 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -26.175 5.845 6.498 1.00 0.00 H new ATOM 140 N LYS A 12 -21.949 11.315 2.667 1.00 0.00 N ATOM 141 CA LYS A 12 -21.955 11.957 1.358 1.00 0.00 C ATOM 142 C LYS A 12 -20.579 11.877 0.705 1.00 0.00 C ATOM 143 O LYS A 12 -20.423 11.287 -0.363 1.00 0.00 O ATOM 144 CB LYS A 12 -22.385 13.420 1.487 1.00 0.00 C ATOM 145 CG LYS A 12 -23.101 13.955 0.259 1.00 0.00 C ATOM 146 CD LYS A 12 -22.930 15.459 0.124 1.00 0.00 C ATOM 147 CE LYS A 12 -23.463 15.963 -1.208 1.00 0.00 C ATOM 148 NZ LYS A 12 -24.927 15.727 -1.346 1.00 0.00 N ATOM 0 H LYS A 12 -21.522 11.872 3.407 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.669 11.428 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.040 13.522 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.504 14.033 1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -22.713 13.462 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -24.162 13.713 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -23.452 15.960 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.875 15.716 0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -23.257 17.029 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -22.937 15.464 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -25.267 16.159 -2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -25.113 14.704 -1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -25.425 16.153 -0.538 1.00 0.00 H new ATOM 162 N GLU A 13 -19.584 12.472 1.356 1.00 0.00 N ATOM 163 CA GLU A 13 -18.221 12.466 0.838 1.00 0.00 C ATOM 164 C GLU A 13 -17.642 11.054 0.849 1.00 0.00 C ATOM 165 O GLU A 13 -17.019 10.620 -0.121 1.00 0.00 O ATOM 166 CB GLU A 13 -17.334 13.400 1.664 1.00 0.00 C ATOM 167 CG GLU A 13 -15.851 13.091 1.548 1.00 0.00 C ATOM 168 CD GLU A 13 -15.324 13.284 0.139 1.00 0.00 C ATOM 169 OE1 GLU A 13 -16.081 13.025 -0.819 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.153 13.696 -0.004 1.00 0.00 O ATOM 0 H GLU A 13 -19.696 12.964 2.242 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.249 12.821 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.508 14.428 1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.629 13.336 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.295 13.733 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.672 12.062 1.861 1.00 0.00 H new ATOM 177 N LEU A 14 -17.850 10.344 1.951 1.00 0.00 N ATOM 178 CA LEU A 14 -17.349 8.981 2.090 1.00 0.00 C ATOM 179 C LEU A 14 -17.358 8.258 0.746 1.00 0.00 C ATOM 180 O LEU A 14 -16.312 7.855 0.240 1.00 0.00 O ATOM 181 CB LEU A 14 -18.192 8.206 3.104 1.00 0.00 C ATOM 182 CG LEU A 14 -17.961 6.696 3.155 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.850 6.358 4.137 1.00 0.00 C ATOM 184 CD2 LEU A 14 -19.246 5.972 3.531 1.00 0.00 C ATOM 0 H LEU A 14 -18.363 10.689 2.762 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.321 9.034 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.000 8.616 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.244 8.385 2.884 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.655 6.361 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.700 5.279 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.927 6.846 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -17.126 6.707 5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -19.063 4.898 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.582 6.312 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.015 6.187 2.789 1.00 0.00 H new ATOM 196 N GLY A 15 -18.547 8.100 0.173 1.00 0.00 N ATOM 197 CA GLY A 15 -18.670 7.428 -1.107 1.00 0.00 C ATOM 198 C GLY A 15 -18.133 8.262 -2.253 1.00 0.00 C ATOM 199 O GLY A 15 -17.406 7.757 -3.109 1.00 0.00 O ATOM 0 H GLY A 15 -19.427 8.425 0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.134 6.480 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.718 7.194 -1.292 1.00 0.00 H new ATOM 203 N ASP A 16 -18.493 9.540 -2.272 1.00 0.00 N ATOM 204 CA ASP A 16 -18.043 10.446 -3.323 1.00 0.00 C ATOM 205 C ASP A 16 -16.556 10.256 -3.603 1.00 0.00 C ATOM 206 O ASP A 16 -16.171 9.767 -4.666 1.00 0.00 O ATOM 207 CB ASP A 16 -18.319 11.897 -2.927 1.00 0.00 C ATOM 208 CG ASP A 16 -17.874 12.882 -3.991 1.00 0.00 C ATOM 209 OD1 ASP A 16 -16.705 12.799 -4.422 1.00 0.00 O ATOM 210 OD2 ASP A 16 -18.694 13.735 -4.390 1.00 0.00 O ATOM 0 H ASP A 16 -19.095 9.973 -1.572 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.598 10.214 -4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.386 12.024 -2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.805 12.120 -1.992 1.00 0.00 H new ATOM 215 N VAL A 17 -15.723 10.647 -2.644 1.00 0.00 N ATOM 216 CA VAL A 17 -14.278 10.520 -2.787 1.00 0.00 C ATOM 217 C VAL A 17 -13.894 9.129 -3.279 1.00 0.00 C ATOM 218 O VAL A 17 -14.517 8.133 -2.907 1.00 0.00 O ATOM 219 CB VAL A 17 -13.555 10.799 -1.456 1.00 0.00 C ATOM 220 CG1 VAL A 17 -13.995 9.805 -0.391 1.00 0.00 C ATOM 221 CG2 VAL A 17 -12.047 10.753 -1.649 1.00 0.00 C ATOM 0 H VAL A 17 -16.025 11.055 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.967 11.261 -3.523 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.825 11.800 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.474 10.017 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -15.070 9.892 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.757 8.793 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.552 10.952 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.756 9.766 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.750 11.507 -2.378 1.00 0.00 H new ATOM 231 N LEU A 18 -12.866 9.067 -4.118 1.00 0.00 N ATOM 232 CA LEU A 18 -12.398 7.796 -4.662 1.00 0.00 C ATOM 233 C LEU A 18 -10.945 7.541 -4.274 1.00 0.00 C ATOM 234 O LEU A 18 -10.097 8.427 -4.383 1.00 0.00 O ATOM 235 CB LEU A 18 -12.541 7.787 -6.184 1.00 0.00 C ATOM 236 CG LEU A 18 -12.750 6.417 -6.831 1.00 0.00 C ATOM 237 CD1 LEU A 18 -13.492 6.558 -8.151 1.00 0.00 C ATOM 238 CD2 LEU A 18 -11.416 5.716 -7.038 1.00 0.00 C ATOM 0 H LEU A 18 -12.341 9.881 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.012 7.000 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.382 8.426 -6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.647 8.238 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.357 5.808 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.632 5.573 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.464 7.018 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.912 7.184 -8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.584 4.743 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.784 6.321 -7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.923 5.581 -6.075 1.00 0.00 H new ATOM 250 N VAL A 19 -10.663 6.322 -3.824 1.00 0.00 N ATOM 251 CA VAL A 19 -9.312 5.948 -3.424 1.00 0.00 C ATOM 252 C VAL A 19 -8.618 5.144 -4.518 1.00 0.00 C ATOM 253 O VAL A 19 -9.209 4.240 -5.108 1.00 0.00 O ATOM 254 CB VAL A 19 -9.320 5.124 -2.123 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.898 4.827 -1.671 1.00 0.00 C ATOM 256 CG2 VAL A 19 -10.092 5.855 -1.035 1.00 0.00 C ATOM 0 H VAL A 19 -11.353 5.577 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.764 6.875 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.820 4.175 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.923 4.244 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.381 4.260 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.370 5.764 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.088 5.259 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.622 6.819 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.120 6.012 -1.361 1.00 0.00 H new ATOM 266 N ARG A 20 -7.359 5.479 -4.782 1.00 0.00 N ATOM 267 CA ARG A 20 -6.584 4.788 -5.806 1.00 0.00 C ATOM 268 C ARG A 20 -5.410 4.037 -5.184 1.00 0.00 C ATOM 269 O ARG A 20 -4.534 4.639 -4.561 1.00 0.00 O ATOM 270 CB ARG A 20 -6.072 5.785 -6.847 1.00 0.00 C ATOM 271 CG ARG A 20 -7.027 5.996 -8.010 1.00 0.00 C ATOM 272 CD ARG A 20 -6.332 6.662 -9.188 1.00 0.00 C ATOM 273 NE ARG A 20 -7.276 7.363 -10.054 1.00 0.00 N ATOM 274 CZ ARG A 20 -6.906 8.179 -11.035 1.00 0.00 C ATOM 275 NH1 ARG A 20 -5.619 8.394 -11.273 1.00 0.00 N ATOM 276 NH2 ARG A 20 -7.824 8.781 -11.781 1.00 0.00 N ATOM 0 H ARG A 20 -6.854 6.224 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.237 4.065 -6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.888 6.743 -6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.115 5.435 -7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.438 5.036 -8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.866 6.611 -7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.587 7.366 -8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.799 5.909 -9.768 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.273 7.218 -9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.911 7.932 -10.702 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.338 9.021 -12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.815 8.617 -11.601 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.539 9.407 -12.534 1.00 0.00 H new ATOM 290 N LEU A 21 -5.399 2.720 -5.358 1.00 0.00 N ATOM 291 CA LEU A 21 -4.333 1.886 -4.813 1.00 0.00 C ATOM 292 C LEU A 21 -3.261 1.617 -5.865 1.00 0.00 C ATOM 293 O LEU A 21 -3.540 1.044 -6.919 1.00 0.00 O ATOM 294 CB LEU A 21 -4.905 0.563 -4.302 1.00 0.00 C ATOM 295 CG LEU A 21 -3.945 -0.318 -3.501 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.409 0.436 -2.295 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.637 -1.601 -3.065 1.00 0.00 C ATOM 0 H LEU A 21 -6.115 2.207 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.874 2.422 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.772 0.782 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.264 -0.009 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.104 -0.582 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.728 -0.207 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.876 1.326 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.238 0.730 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.939 -2.216 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.497 -1.357 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.971 -2.151 -3.945 1.00 0.00 H new ATOM 309 N HIS A 22 -2.033 2.033 -5.571 1.00 0.00 N ATOM 310 CA HIS A 22 -0.918 1.835 -6.490 1.00 0.00 C ATOM 311 C HIS A 22 -0.272 0.470 -6.274 1.00 0.00 C ATOM 312 O HIS A 22 -0.245 -0.044 -5.156 1.00 0.00 O ATOM 313 CB HIS A 22 0.123 2.939 -6.308 1.00 0.00 C ATOM 314 CG HIS A 22 -0.449 4.321 -6.396 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.131 5.330 -7.136 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.555 4.859 -5.831 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.594 6.429 -7.021 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.623 6.169 -6.236 1.00 0.00 N ATOM 0 H HIS A 22 -1.785 2.509 -4.704 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.306 1.877 -7.508 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.606 2.815 -5.339 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.897 2.826 -7.067 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.986 5.242 -7.686 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.254 4.352 -5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.381 7.378 -7.490 1.00 0.00 H new ATOM 327 N ASN A 23 0.246 -0.112 -7.350 1.00 0.00 N ATOM 328 CA ASN A 23 0.891 -1.418 -7.278 1.00 0.00 C ATOM 329 C ASN A 23 1.733 -1.540 -6.011 1.00 0.00 C ATOM 330 O ASN A 23 2.650 -0.756 -5.768 1.00 0.00 O ATOM 331 CB ASN A 23 1.769 -1.646 -8.511 1.00 0.00 C ATOM 332 CG ASN A 23 1.008 -1.445 -9.807 1.00 0.00 C ATOM 333 OD1 ASN A 23 0.301 -2.341 -10.270 1.00 0.00 O ATOM 334 ND2 ASN A 23 1.150 -0.266 -10.400 1.00 0.00 N ATOM 0 H ASN A 23 0.232 0.300 -8.283 1.00 0.00 H new ATOM 0 HA ASN A 23 0.111 -2.179 -7.250 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.617 -0.962 -8.481 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.174 -2.658 -8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.663 -0.073 -11.275 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.746 0.447 -9.980 1.00 0.00 H new ATOM 341 N PRO A 24 1.415 -2.547 -5.184 1.00 0.00 N ATOM 342 CA PRO A 24 2.130 -2.796 -3.929 1.00 0.00 C ATOM 343 C PRO A 24 3.548 -3.305 -4.162 1.00 0.00 C ATOM 344 O PRO A 24 3.774 -4.508 -4.293 1.00 0.00 O ATOM 345 CB PRO A 24 1.282 -3.871 -3.245 1.00 0.00 C ATOM 346 CG PRO A 24 0.580 -4.567 -4.360 1.00 0.00 C ATOM 347 CD PRO A 24 0.333 -3.520 -5.411 1.00 0.00 C ATOM 0 HA PRO A 24 2.247 -1.887 -3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.903 -4.562 -2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.573 -3.430 -2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.187 -5.381 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.357 -5.005 -4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.375 -3.941 -6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.650 -3.062 -5.299 1.00 0.00 H new ATOM 355 N VAL A 25 4.503 -2.381 -4.211 1.00 0.00 N ATOM 356 CA VAL A 25 5.900 -2.736 -4.426 1.00 0.00 C ATOM 357 C VAL A 25 6.373 -3.757 -3.397 1.00 0.00 C ATOM 358 O VAL A 25 6.452 -3.461 -2.204 1.00 0.00 O ATOM 359 CB VAL A 25 6.812 -1.497 -4.359 1.00 0.00 C ATOM 360 CG1 VAL A 25 8.261 -1.885 -4.608 1.00 0.00 C ATOM 361 CG2 VAL A 25 6.354 -0.445 -5.358 1.00 0.00 C ATOM 0 H VAL A 25 4.334 -1.381 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 25 5.965 -3.172 -5.423 1.00 0.00 H new ATOM 0 HB VAL A 25 6.743 -1.070 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.890 -0.996 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.581 -2.600 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.352 -2.337 -5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.009 0.424 -5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.392 -0.859 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.332 -0.145 -5.128 1.00 0.00 H new ATOM 371 N VAL A 26 6.686 -4.961 -3.866 1.00 0.00 N ATOM 372 CA VAL A 26 7.153 -6.026 -2.986 1.00 0.00 C ATOM 373 C VAL A 26 8.604 -5.805 -2.577 1.00 0.00 C ATOM 374 O VAL A 26 9.522 -5.992 -3.377 1.00 0.00 O ATOM 375 CB VAL A 26 7.025 -7.406 -3.659 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.699 -7.399 -5.023 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.615 -8.489 -2.769 1.00 0.00 C ATOM 0 H VAL A 26 6.625 -5.223 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 26 6.521 -6.003 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 26 5.967 -7.624 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.599 -8.382 -5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.226 -6.650 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.756 -7.160 -4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.516 -9.457 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.670 -8.279 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.083 -8.508 -1.818 1.00 0.00 H new ATOM 387 N LEU A 27 8.806 -5.405 -1.326 1.00 0.00 N ATOM 388 CA LEU A 27 10.148 -5.158 -0.809 1.00 0.00 C ATOM 389 C LEU A 27 10.807 -6.460 -0.364 1.00 0.00 C ATOM 390 O LEU A 27 11.998 -6.676 -0.593 1.00 0.00 O ATOM 391 CB LEU A 27 10.091 -4.175 0.362 1.00 0.00 C ATOM 392 CG LEU A 27 9.397 -2.842 0.086 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.153 -2.087 1.383 1.00 0.00 C ATOM 394 CD2 LEU A 27 10.223 -1.999 -0.876 1.00 0.00 C ATOM 0 H LEU A 27 8.058 -5.245 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 27 10.747 -4.725 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.582 -4.661 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.111 -3.970 0.688 1.00 0.00 H new ATOM 0 HG LEU A 27 8.432 -3.047 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.658 -1.141 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.520 -2.685 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.106 -1.893 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.713 -1.053 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.203 -1.804 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.345 -2.535 -1.817 1.00 0.00 H new ATOM 406 N THR A 28 10.026 -7.326 0.274 1.00 0.00 N ATOM 407 CA THR A 28 10.533 -8.607 0.750 1.00 0.00 C ATOM 408 C THR A 28 9.450 -9.678 0.707 1.00 0.00 C ATOM 409 O THR A 28 8.255 -9.385 0.661 1.00 0.00 O ATOM 410 CB THR A 28 11.075 -8.497 2.188 1.00 0.00 C ATOM 411 OG1 THR A 28 10.349 -7.494 2.909 1.00 0.00 O ATOM 412 CG2 THR A 28 12.557 -8.153 2.183 1.00 0.00 C ATOM 0 H THR A 28 9.039 -7.163 0.473 1.00 0.00 H new ATOM 0 HA THR A 28 11.347 -8.892 0.084 1.00 0.00 H new ATOM 0 HB THR A 28 10.944 -9.462 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.698 -7.431 3.823 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.917 -8.081 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.110 -8.932 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.707 -7.199 1.678 1.00 0.00 H new ATOM 420 N PRO A 29 9.873 -10.950 0.724 1.00 0.00 N ATOM 421 CA PRO A 29 8.954 -12.091 0.689 1.00 0.00 C ATOM 422 C PRO A 29 8.160 -12.236 1.983 1.00 0.00 C ATOM 423 O PRO A 29 7.355 -13.156 2.132 1.00 0.00 O ATOM 424 CB PRO A 29 9.884 -13.291 0.496 1.00 0.00 C ATOM 425 CG PRO A 29 11.193 -12.849 1.053 1.00 0.00 C ATOM 426 CD PRO A 29 11.283 -11.373 0.779 1.00 0.00 C ATOM 0 HA PRO A 29 8.204 -11.985 -0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.508 -14.171 1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.972 -13.559 -0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.250 -13.051 2.122 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.018 -13.384 0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.829 -10.851 1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.801 -11.169 -0.158 1.00 0.00 H new ATOM 434 N THR A 30 8.391 -11.320 2.920 1.00 0.00 N ATOM 435 CA THR A 30 7.698 -11.346 4.202 1.00 0.00 C ATOM 436 C THR A 30 7.053 -9.999 4.505 1.00 0.00 C ATOM 437 O THR A 30 6.298 -9.863 5.468 1.00 0.00 O ATOM 438 CB THR A 30 8.656 -11.715 5.350 1.00 0.00 C ATOM 439 OG1 THR A 30 9.782 -10.830 5.352 1.00 0.00 O ATOM 440 CG2 THR A 30 9.135 -13.153 5.215 1.00 0.00 C ATOM 0 H THR A 30 9.053 -10.551 2.814 1.00 0.00 H new ATOM 0 HA THR A 30 6.922 -12.108 4.128 1.00 0.00 H new ATOM 0 HB THR A 30 8.115 -11.616 6.291 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.385 -11.070 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.810 -13.390 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.278 -13.826 5.243 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.660 -13.274 4.268 1.00 0.00 H new ATOM 448 N THR A 31 7.355 -9.003 3.677 1.00 0.00 N ATOM 449 CA THR A 31 6.805 -7.666 3.858 1.00 0.00 C ATOM 450 C THR A 31 6.548 -6.991 2.515 1.00 0.00 C ATOM 451 O THR A 31 7.243 -7.253 1.534 1.00 0.00 O ATOM 452 CB THR A 31 7.748 -6.778 4.693 1.00 0.00 C ATOM 453 OG1 THR A 31 8.280 -7.527 5.792 1.00 0.00 O ATOM 454 CG2 THR A 31 7.015 -5.552 5.215 1.00 0.00 C ATOM 0 H THR A 31 7.978 -9.098 2.875 1.00 0.00 H new ATOM 0 HA THR A 31 5.861 -7.782 4.391 1.00 0.00 H new ATOM 0 HB THR A 31 8.564 -6.447 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.879 -6.957 6.317 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.701 -4.940 5.801 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.637 -4.969 4.375 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.182 -5.866 5.843 1.00 0.00 H new ATOM 462 N VAL A 32 5.544 -6.121 2.479 1.00 0.00 N ATOM 463 CA VAL A 32 5.195 -5.407 1.256 1.00 0.00 C ATOM 464 C VAL A 32 4.669 -4.010 1.566 1.00 0.00 C ATOM 465 O VAL A 32 3.882 -3.825 2.493 1.00 0.00 O ATOM 466 CB VAL A 32 4.136 -6.173 0.441 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.693 -5.354 -0.762 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.676 -7.527 0.005 1.00 0.00 C ATOM 0 H VAL A 32 4.958 -5.893 3.282 1.00 0.00 H new ATOM 0 HA VAL A 32 6.108 -5.326 0.666 1.00 0.00 H new ATOM 0 HB VAL A 32 3.266 -6.342 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.945 -5.911 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.264 -4.411 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.553 -5.152 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.915 -8.054 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.562 -7.383 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.938 -8.114 0.885 1.00 0.00 H new ATOM 478 N GLN A 33 5.110 -3.031 0.783 1.00 0.00 N ATOM 479 CA GLN A 33 4.684 -1.649 0.975 1.00 0.00 C ATOM 480 C GLN A 33 3.362 -1.384 0.262 1.00 0.00 C ATOM 481 O GLN A 33 3.156 -1.823 -0.869 1.00 0.00 O ATOM 482 CB GLN A 33 5.756 -0.686 0.462 1.00 0.00 C ATOM 483 CG GLN A 33 5.776 0.647 1.192 1.00 0.00 C ATOM 484 CD GLN A 33 6.250 1.787 0.313 1.00 0.00 C ATOM 485 OE1 GLN A 33 7.056 1.590 -0.597 1.00 0.00 O ATOM 486 NE2 GLN A 33 5.751 2.988 0.579 1.00 0.00 N ATOM 0 H GLN A 33 5.761 -3.168 0.010 1.00 0.00 H new ATOM 0 HA GLN A 33 4.540 -1.484 2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.733 -1.159 0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.593 -0.506 -0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.775 0.870 1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.427 0.570 2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.085 3.106 1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.033 3.793 0.020 1.00 0.00 H new ATOM 495 N VAL A 34 2.469 -0.663 0.932 1.00 0.00 N ATOM 496 CA VAL A 34 1.166 -0.338 0.362 1.00 0.00 C ATOM 497 C VAL A 34 0.938 1.169 0.336 1.00 0.00 C ATOM 498 O VAL A 34 0.967 1.831 1.374 1.00 0.00 O ATOM 499 CB VAL A 34 0.026 -1.005 1.153 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.311 -0.764 0.469 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.290 -2.494 1.315 1.00 0.00 C ATOM 0 H VAL A 34 2.623 -0.293 1.870 1.00 0.00 H new ATOM 0 HA VAL A 34 1.162 -0.721 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.015 -0.556 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.105 -1.243 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.502 0.308 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.286 -1.184 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.526 -2.949 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.359 -2.960 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.227 -2.641 1.853 1.00 0.00 H new ATOM 511 N THR A 35 0.711 1.707 -0.858 1.00 0.00 N ATOM 512 CA THR A 35 0.478 3.137 -1.020 1.00 0.00 C ATOM 513 C THR A 35 -0.781 3.400 -1.837 1.00 0.00 C ATOM 514 O THR A 35 -1.095 2.657 -2.768 1.00 0.00 O ATOM 515 CB THR A 35 1.674 3.826 -1.705 1.00 0.00 C ATOM 516 OG1 THR A 35 2.902 3.311 -1.180 1.00 0.00 O ATOM 517 CG2 THR A 35 1.620 5.333 -1.498 1.00 0.00 C ATOM 0 H THR A 35 0.684 1.174 -1.727 1.00 0.00 H new ATOM 0 HA THR A 35 0.352 3.552 -0.020 1.00 0.00 H new ATOM 0 HB THR A 35 1.622 3.619 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.657 3.753 -1.621 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.474 5.799 -1.990 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.697 5.726 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.650 5.555 -0.431 1.00 0.00 H new ATOM 525 N TRP A 36 -1.499 4.460 -1.484 1.00 0.00 N ATOM 526 CA TRP A 36 -2.726 4.820 -2.187 1.00 0.00 C ATOM 527 C TRP A 36 -2.905 6.334 -2.227 1.00 0.00 C ATOM 528 O TRP A 36 -2.088 7.081 -1.687 1.00 0.00 O ATOM 529 CB TRP A 36 -3.934 4.169 -1.512 1.00 0.00 C ATOM 530 CG TRP A 36 -4.134 4.613 -0.095 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.940 5.626 0.341 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.517 4.059 1.072 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.860 5.735 1.708 1.00 0.00 N ATOM 534 CE2 TRP A 36 -3.994 4.785 2.181 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.608 3.019 1.288 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.592 4.503 3.484 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.210 2.741 2.582 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.702 3.480 3.666 1.00 0.00 C ATOM 0 H TRP A 36 -1.254 5.085 -0.716 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.650 4.454 -3.211 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.831 4.400 -2.087 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.812 3.086 -1.532 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.550 6.250 -0.295 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.364 6.414 2.279 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.224 2.443 0.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.969 5.072 4.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.508 1.940 2.761 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.372 3.237 4.665 1.00 0.00 H new ATOM 549 N THR A 37 -3.979 6.782 -2.869 1.00 0.00 N ATOM 550 CA THR A 37 -4.265 8.207 -2.980 1.00 0.00 C ATOM 551 C THR A 37 -5.767 8.469 -2.972 1.00 0.00 C ATOM 552 O THR A 37 -6.569 7.544 -3.103 1.00 0.00 O ATOM 553 CB THR A 37 -3.658 8.803 -4.264 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.900 7.929 -5.372 1.00 0.00 O ATOM 555 CG2 THR A 37 -2.162 9.024 -4.103 1.00 0.00 C ATOM 0 H THR A 37 -4.666 6.178 -3.320 1.00 0.00 H new ATOM 0 HA THR A 37 -3.811 8.689 -2.114 1.00 0.00 H new ATOM 0 HB THR A 37 -4.133 9.766 -4.451 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.091 7.410 -5.562 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.755 9.445 -5.022 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.983 9.713 -3.278 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.674 8.072 -3.893 1.00 0.00 H new ATOM 563 N VAL A 38 -6.141 9.735 -2.819 1.00 0.00 N ATOM 564 CA VAL A 38 -7.547 10.119 -2.796 1.00 0.00 C ATOM 565 C VAL A 38 -7.745 11.515 -3.375 1.00 0.00 C ATOM 566 O VAL A 38 -7.144 12.483 -2.908 1.00 0.00 O ATOM 567 CB VAL A 38 -8.116 10.082 -1.365 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.923 8.706 -0.748 1.00 0.00 C ATOM 569 CG2 VAL A 38 -7.466 11.157 -0.506 1.00 0.00 C ATOM 0 H VAL A 38 -5.490 10.512 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.083 9.395 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.186 10.284 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.331 8.700 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.440 7.960 -1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.860 8.470 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.879 11.117 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.390 10.988 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.662 12.137 -0.940 1.00 0.00 H new ATOM 579 N ASP A 39 -8.592 11.613 -4.393 1.00 0.00 N ATOM 580 CA ASP A 39 -8.872 12.892 -5.035 1.00 0.00 C ATOM 581 C ASP A 39 -9.222 13.956 -3.999 1.00 0.00 C ATOM 582 O ASP A 39 -8.593 15.013 -3.943 1.00 0.00 O ATOM 583 CB ASP A 39 -10.016 12.744 -6.039 1.00 0.00 C ATOM 584 CG ASP A 39 -9.537 12.277 -7.399 1.00 0.00 C ATOM 585 OD1 ASP A 39 -8.943 11.181 -7.474 1.00 0.00 O ATOM 586 OD2 ASP A 39 -9.754 13.007 -8.389 1.00 0.00 O ATOM 0 H ASP A 39 -9.097 10.822 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.973 13.208 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.746 12.034 -5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.527 13.701 -6.146 1.00 0.00 H new ATOM 591 N ARG A 40 -10.229 13.669 -3.181 1.00 0.00 N ATOM 592 CA ARG A 40 -10.664 14.601 -2.148 1.00 0.00 C ATOM 593 C ARG A 40 -10.520 13.982 -0.761 1.00 0.00 C ATOM 594 O ARG A 40 -11.447 13.353 -0.253 1.00 0.00 O ATOM 595 CB ARG A 40 -12.118 15.016 -2.385 1.00 0.00 C ATOM 596 CG ARG A 40 -12.317 15.846 -3.642 1.00 0.00 C ATOM 597 CD ARG A 40 -13.702 15.636 -4.235 1.00 0.00 C ATOM 598 NE ARG A 40 -13.874 16.357 -5.493 1.00 0.00 N ATOM 599 CZ ARG A 40 -14.974 16.289 -6.234 1.00 0.00 C ATOM 600 NH1 ARG A 40 -15.994 15.537 -5.845 1.00 0.00 N ATOM 601 NH2 ARG A 40 -15.056 16.976 -7.367 1.00 0.00 N ATOM 0 H ARG A 40 -10.759 12.798 -3.214 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.028 15.485 -2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.737 14.121 -2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.469 15.585 -1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.176 16.901 -3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.560 15.579 -4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.867 14.572 -4.402 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.456 15.968 -3.521 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.108 16.945 -5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.935 15.009 -4.974 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.838 15.487 -6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.274 17.557 -7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.901 16.923 -7.935 1.00 0.00 H new ATOM 615 N GLN A 41 -9.351 14.166 -0.156 1.00 0.00 N ATOM 616 CA GLN A 41 -9.085 13.624 1.172 1.00 0.00 C ATOM 617 C GLN A 41 -10.164 14.053 2.160 1.00 0.00 C ATOM 618 O GLN A 41 -10.348 15.238 2.441 1.00 0.00 O ATOM 619 CB GLN A 41 -7.712 14.081 1.667 1.00 0.00 C ATOM 620 CG GLN A 41 -7.394 13.628 3.083 1.00 0.00 C ATOM 621 CD GLN A 41 -6.074 14.175 3.588 1.00 0.00 C ATOM 622 OE1 GLN A 41 -6.041 15.117 4.381 1.00 0.00 O ATOM 623 NE2 GLN A 41 -4.975 13.586 3.130 1.00 0.00 N ATOM 0 H GLN A 41 -8.574 14.686 -0.563 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.094 12.536 1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.946 13.699 0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.663 15.169 1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.194 13.947 3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.367 12.539 3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.049 12.808 2.474 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.057 13.911 3.434 1.00 0.00 H new ATOM 632 N PRO A 42 -10.896 13.069 2.703 1.00 0.00 N ATOM 633 CA PRO A 42 -11.969 13.320 3.669 1.00 0.00 C ATOM 634 C PRO A 42 -11.437 13.799 5.015 1.00 0.00 C ATOM 635 O PRO A 42 -10.450 13.270 5.525 1.00 0.00 O ATOM 636 CB PRO A 42 -12.643 11.953 3.815 1.00 0.00 C ATOM 637 CG PRO A 42 -11.582 10.969 3.462 1.00 0.00 C ATOM 638 CD PRO A 42 -10.732 11.634 2.415 1.00 0.00 C ATOM 0 HA PRO A 42 -12.643 14.108 3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.006 11.797 4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.503 11.863 3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.988 10.705 4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.018 10.045 3.082 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.689 11.326 2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.067 11.385 1.408 1.00 0.00 H new ATOM 646 N GLN A 43 -12.097 14.802 5.585 1.00 0.00 N ATOM 647 CA GLN A 43 -11.689 15.351 6.873 1.00 0.00 C ATOM 648 C GLN A 43 -12.253 14.522 8.022 1.00 0.00 C ATOM 649 O GLN A 43 -11.530 14.150 8.946 1.00 0.00 O ATOM 650 CB GLN A 43 -12.151 16.803 7.001 1.00 0.00 C ATOM 651 CG GLN A 43 -11.479 17.745 6.015 1.00 0.00 C ATOM 652 CD GLN A 43 -11.745 19.204 6.328 1.00 0.00 C ATOM 653 OE1 GLN A 43 -10.830 19.956 6.665 1.00 0.00 O ATOM 654 NE2 GLN A 43 -13.004 19.614 6.217 1.00 0.00 N ATOM 0 H GLN A 43 -12.916 15.251 5.175 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.601 15.317 6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.230 16.846 6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.953 17.150 8.015 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.404 17.566 6.022 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.832 17.523 5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.731 18.957 5.935 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.243 20.586 6.414 1.00 0.00 H new ATOM 663 N PHE A 44 -13.549 14.235 7.957 1.00 0.00 N ATOM 664 CA PHE A 44 -14.211 13.451 8.993 1.00 0.00 C ATOM 665 C PHE A 44 -13.492 12.123 9.214 1.00 0.00 C ATOM 666 O PHE A 44 -13.363 11.656 10.346 1.00 0.00 O ATOM 667 CB PHE A 44 -15.672 13.195 8.614 1.00 0.00 C ATOM 668 CG PHE A 44 -15.842 12.630 7.233 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.929 13.469 6.133 1.00 0.00 C ATOM 670 CD2 PHE A 44 -15.916 11.261 7.034 1.00 0.00 C ATOM 671 CE1 PHE A 44 -16.087 12.951 4.861 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.073 10.738 5.765 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.158 11.585 4.677 1.00 0.00 C ATOM 0 H PHE A 44 -14.161 14.534 7.198 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.178 14.021 9.921 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.111 12.507 9.336 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.227 14.130 8.686 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.873 14.539 6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -15.850 10.594 7.881 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.155 13.615 4.012 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.129 9.669 5.624 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.280 11.179 3.684 1.00 0.00 H new ATOM 683 N ILE A 45 -13.025 11.522 8.125 1.00 0.00 N ATOM 684 CA ILE A 45 -12.319 10.249 8.199 1.00 0.00 C ATOM 685 C ILE A 45 -11.511 10.143 9.488 1.00 0.00 C ATOM 686 O ILE A 45 -10.914 11.120 9.939 1.00 0.00 O ATOM 687 CB ILE A 45 -11.374 10.059 6.997 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.074 8.574 6.786 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.086 10.840 7.207 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.442 8.269 5.446 1.00 0.00 C ATOM 0 H ILE A 45 -13.123 11.896 7.181 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.077 9.466 8.183 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.866 10.442 6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.410 8.230 7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.001 8.008 6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.429 10.696 6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.316 11.900 7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.588 10.485 8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.257 7.198 5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.114 8.582 4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.498 8.807 5.358 1.00 0.00 H new ATOM 702 N GLN A 46 -11.496 8.951 10.074 1.00 0.00 N ATOM 703 CA GLN A 46 -10.760 8.717 11.311 1.00 0.00 C ATOM 704 C GLN A 46 -9.434 8.016 11.031 1.00 0.00 C ATOM 705 O GLN A 46 -8.449 8.225 11.738 1.00 0.00 O ATOM 706 CB GLN A 46 -11.599 7.880 12.278 1.00 0.00 C ATOM 707 CG GLN A 46 -12.592 8.698 13.086 1.00 0.00 C ATOM 708 CD GLN A 46 -11.939 9.440 14.235 1.00 0.00 C ATOM 709 OE1 GLN A 46 -12.125 10.647 14.396 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.169 8.721 15.043 1.00 0.00 N ATOM 0 H GLN A 46 -11.985 8.132 9.713 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.550 9.684 11.768 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.141 7.121 11.713 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.933 7.354 12.962 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.086 9.415 12.430 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.366 8.039 13.478 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.042 7.723 14.873 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.704 9.166 15.834 1.00 0.00 H new ATOM 719 N GLY A 47 -9.417 7.183 9.995 1.00 0.00 N ATOM 720 CA GLY A 47 -8.208 6.464 9.641 1.00 0.00 C ATOM 721 C GLY A 47 -8.387 5.599 8.409 1.00 0.00 C ATOM 722 O GLY A 47 -9.246 5.872 7.570 1.00 0.00 O ATOM 0 H GLY A 47 -10.219 6.993 9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.403 7.178 9.466 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.903 5.838 10.479 1.00 0.00 H new ATOM 726 N TYR A 48 -7.574 4.554 8.299 1.00 0.00 N ATOM 727 CA TYR A 48 -7.644 3.648 7.158 1.00 0.00 C ATOM 728 C TYR A 48 -7.391 2.207 7.591 1.00 0.00 C ATOM 729 O TYR A 48 -6.368 1.903 8.206 1.00 0.00 O ATOM 730 CB TYR A 48 -6.628 4.059 6.091 1.00 0.00 C ATOM 731 CG TYR A 48 -6.989 5.338 5.372 1.00 0.00 C ATOM 732 CD1 TYR A 48 -6.801 6.575 5.976 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.517 5.310 4.087 1.00 0.00 C ATOM 734 CE1 TYR A 48 -7.131 7.747 5.322 1.00 0.00 C ATOM 735 CE2 TYR A 48 -7.848 6.477 3.425 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.654 7.693 4.047 1.00 0.00 C ATOM 737 OH TYR A 48 -7.982 8.857 3.391 1.00 0.00 O ATOM 0 H TYR A 48 -6.859 4.313 8.986 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.647 3.710 6.737 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.651 4.179 6.559 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.536 3.255 5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.390 6.622 6.974 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.671 4.360 3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.980 8.700 5.807 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.256 6.437 2.426 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.336 8.643 2.503 1.00 0.00 H new ATOM 747 N ARG A 49 -8.329 1.325 7.264 1.00 0.00 N ATOM 748 CA ARG A 49 -8.208 -0.084 7.618 1.00 0.00 C ATOM 749 C ARG A 49 -7.621 -0.887 6.461 1.00 0.00 C ATOM 750 O ARG A 49 -8.352 -1.436 5.637 1.00 0.00 O ATOM 751 CB ARG A 49 -9.575 -0.653 8.005 1.00 0.00 C ATOM 752 CG ARG A 49 -9.499 -1.787 9.014 1.00 0.00 C ATOM 753 CD ARG A 49 -10.810 -1.951 9.767 1.00 0.00 C ATOM 754 NE ARG A 49 -10.696 -2.913 10.860 1.00 0.00 N ATOM 755 CZ ARG A 49 -11.690 -3.200 11.693 1.00 0.00 C ATOM 756 NH1 ARG A 49 -12.866 -2.602 11.558 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.510 -4.087 12.663 1.00 0.00 N ATOM 0 H ARG A 49 -9.181 1.561 6.755 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.534 -0.162 8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.189 0.148 8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.078 -1.011 7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.254 -2.717 8.500 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.693 -1.592 9.722 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.123 -0.986 10.165 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.587 -2.278 9.076 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.804 -3.391 10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.009 -1.920 10.813 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.628 -2.824 12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.607 -4.550 12.770 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.274 -4.306 13.302 1.00 0.00 H new ATOM 771 N VAL A 50 -6.294 -0.951 6.406 1.00 0.00 N ATOM 772 CA VAL A 50 -5.607 -1.687 5.351 1.00 0.00 C ATOM 773 C VAL A 50 -5.830 -3.189 5.494 1.00 0.00 C ATOM 774 O VAL A 50 -5.092 -3.871 6.205 1.00 0.00 O ATOM 775 CB VAL A 50 -4.094 -1.401 5.360 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.391 -2.205 4.277 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.833 0.088 5.185 1.00 0.00 C ATOM 0 H VAL A 50 -5.674 -0.502 7.080 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.027 -1.348 4.404 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.690 -1.707 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.323 -1.989 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.550 -3.269 4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.796 -1.934 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.759 0.273 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.251 0.421 4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.302 0.638 6.001 1.00 0.00 H new ATOM 787 N MET A 51 -6.852 -3.697 4.813 1.00 0.00 N ATOM 788 CA MET A 51 -7.170 -5.119 4.863 1.00 0.00 C ATOM 789 C MET A 51 -6.354 -5.896 3.834 1.00 0.00 C ATOM 790 O MET A 51 -6.104 -5.410 2.731 1.00 0.00 O ATOM 791 CB MET A 51 -8.664 -5.338 4.616 1.00 0.00 C ATOM 792 CG MET A 51 -9.539 -4.942 5.794 1.00 0.00 C ATOM 793 SD MET A 51 -11.287 -5.276 5.504 1.00 0.00 S ATOM 794 CE MET A 51 -11.303 -7.066 5.558 1.00 0.00 C ATOM 0 H MET A 51 -7.473 -3.146 4.221 1.00 0.00 H new ATOM 0 HA MET A 51 -6.915 -5.488 5.856 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.967 -4.765 3.740 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.835 -6.389 4.384 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.212 -5.483 6.682 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.405 -3.880 6.000 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.328 -7.417 5.680 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.892 -7.462 4.629 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.699 -7.410 6.397 1.00 0.00 H new ATOM 804 N TYR A 52 -5.942 -7.104 4.203 1.00 0.00 N ATOM 805 CA TYR A 52 -5.151 -7.946 3.313 1.00 0.00 C ATOM 806 C TYR A 52 -5.378 -9.424 3.618 1.00 0.00 C ATOM 807 O TYR A 52 -5.739 -9.790 4.737 1.00 0.00 O ATOM 808 CB TYR A 52 -3.665 -7.608 3.444 1.00 0.00 C ATOM 809 CG TYR A 52 -3.114 -7.828 4.835 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.510 -7.023 5.896 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.199 -8.843 5.089 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.008 -7.219 7.168 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.694 -9.048 6.358 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.101 -8.233 7.394 1.00 0.00 C ATOM 815 OH TYR A 52 -1.601 -8.434 8.660 1.00 0.00 O ATOM 0 H TYR A 52 -6.142 -7.522 5.112 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.471 -7.752 2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.099 -8.216 2.738 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.512 -6.566 3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.223 -6.230 5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.877 -9.482 4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.324 -6.582 7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.984 -9.842 6.538 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.700 -9.378 8.905 1.00 0.00 H new ATOM 825 N ARG A 53 -5.161 -10.268 2.615 1.00 0.00 N ATOM 826 CA ARG A 53 -5.342 -11.706 2.774 1.00 0.00 C ATOM 827 C ARG A 53 -4.592 -12.471 1.688 1.00 0.00 C ATOM 828 O ARG A 53 -4.211 -11.902 0.665 1.00 0.00 O ATOM 829 CB ARG A 53 -6.829 -12.063 2.730 1.00 0.00 C ATOM 830 CG ARG A 53 -7.428 -12.005 1.334 1.00 0.00 C ATOM 831 CD ARG A 53 -8.611 -12.951 1.197 1.00 0.00 C ATOM 832 NE ARG A 53 -9.093 -13.027 -0.180 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.264 -13.554 -0.520 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.068 -14.047 0.412 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.633 -13.587 -1.794 1.00 0.00 N ATOM 0 H ARG A 53 -4.860 -9.981 1.684 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.935 -11.993 3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.965 -13.066 3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.377 -11.381 3.380 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.748 -10.986 1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.666 -12.264 0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.321 -13.946 1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.420 -12.617 1.847 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.498 -12.655 -0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.788 -14.022 1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.967 -14.451 0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.017 -13.208 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.532 -13.992 -2.054 1.00 0.00 H new ATOM 849 N GLN A 54 -4.383 -13.763 1.919 1.00 0.00 N ATOM 850 CA GLN A 54 -3.677 -14.606 0.961 1.00 0.00 C ATOM 851 C GLN A 54 -4.602 -15.031 -0.175 1.00 0.00 C ATOM 852 O GLN A 54 -5.825 -15.028 -0.029 1.00 0.00 O ATOM 853 CB GLN A 54 -3.106 -15.841 1.659 1.00 0.00 C ATOM 854 CG GLN A 54 -2.047 -16.566 0.844 1.00 0.00 C ATOM 855 CD GLN A 54 -1.575 -17.845 1.507 1.00 0.00 C ATOM 856 OE1 GLN A 54 -2.361 -18.764 1.740 1.00 0.00 O ATOM 857 NE2 GLN A 54 -0.285 -17.911 1.814 1.00 0.00 N ATOM 0 H GLN A 54 -4.692 -14.249 2.761 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.857 -14.025 0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.675 -15.541 2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.920 -16.532 1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.449 -16.799 -0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.195 -15.904 0.692 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.330 -17.125 1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.091 -18.747 2.261 1.00 0.00 H new ATOM 866 N THR A 55 -4.010 -15.396 -1.308 1.00 0.00 N ATOM 867 CA THR A 55 -4.781 -15.822 -2.470 1.00 0.00 C ATOM 868 C THR A 55 -4.725 -17.336 -2.641 1.00 0.00 C ATOM 869 O THR A 55 -5.724 -17.968 -2.983 1.00 0.00 O ATOM 870 CB THR A 55 -4.270 -15.152 -3.759 1.00 0.00 C ATOM 871 OG1 THR A 55 -2.897 -15.495 -3.979 1.00 0.00 O ATOM 872 CG2 THR A 55 -4.413 -13.639 -3.676 1.00 0.00 C ATOM 0 H THR A 55 -2.999 -15.405 -1.446 1.00 0.00 H new ATOM 0 HA THR A 55 -5.813 -15.516 -2.295 1.00 0.00 H new ATOM 0 HB THR A 55 -4.872 -15.513 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.359 -15.198 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.046 -13.188 -4.598 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.463 -13.380 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.833 -13.264 -2.832 1.00 0.00 H new ATOM 880 N SER A 56 -3.551 -17.911 -2.401 1.00 0.00 N ATOM 881 CA SER A 56 -3.365 -19.351 -2.533 1.00 0.00 C ATOM 882 C SER A 56 -2.472 -19.887 -1.418 1.00 0.00 C ATOM 883 O SER A 56 -1.852 -19.121 -0.681 1.00 0.00 O ATOM 884 CB SER A 56 -2.756 -19.686 -3.895 1.00 0.00 C ATOM 885 OG SER A 56 -3.627 -19.312 -4.949 1.00 0.00 O ATOM 0 H SER A 56 -2.715 -17.402 -2.114 1.00 0.00 H new ATOM 0 HA SER A 56 -4.342 -19.827 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.802 -19.171 -4.007 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.549 -20.755 -3.952 1.00 0.00 H new ATOM 0 HG SER A 56 -3.214 -19.535 -5.809 1.00 0.00 H new ATOM 891 N GLY A 57 -2.411 -21.211 -1.301 1.00 0.00 N ATOM 892 CA GLY A 57 -1.592 -21.828 -0.274 1.00 0.00 C ATOM 893 C GLY A 57 -2.420 -22.434 0.842 1.00 0.00 C ATOM 894 O GLY A 57 -3.323 -23.233 0.591 1.00 0.00 O ATOM 0 H GLY A 57 -2.914 -21.866 -1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.973 -22.603 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.915 -21.082 0.144 1.00 0.00 H new ATOM 898 N LEU A 58 -2.111 -22.055 2.077 1.00 0.00 N ATOM 899 CA LEU A 58 -2.833 -22.568 3.237 1.00 0.00 C ATOM 900 C LEU A 58 -3.809 -21.526 3.775 1.00 0.00 C ATOM 901 O LEU A 58 -4.992 -21.809 3.962 1.00 0.00 O ATOM 902 CB LEU A 58 -1.849 -22.976 4.334 1.00 0.00 C ATOM 903 CG LEU A 58 -2.308 -24.101 5.263 1.00 0.00 C ATOM 904 CD1 LEU A 58 -3.375 -23.599 6.223 1.00 0.00 C ATOM 905 CD2 LEU A 58 -2.827 -25.281 4.455 1.00 0.00 C ATOM 0 H LEU A 58 -1.366 -21.395 2.301 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.402 -23.443 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.915 -23.280 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.628 -22.098 4.941 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.451 -24.436 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.689 -24.413 6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.969 -22.787 6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.233 -23.237 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.149 -26.072 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.671 -24.961 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.033 -25.657 3.809 1.00 0.00 H new ATOM 917 N GLN A 59 -3.304 -20.321 4.020 1.00 0.00 N ATOM 918 CA GLN A 59 -4.133 -19.237 4.535 1.00 0.00 C ATOM 919 C GLN A 59 -4.857 -18.519 3.401 1.00 0.00 C ATOM 920 O GLN A 59 -5.196 -17.342 3.516 1.00 0.00 O ATOM 921 CB GLN A 59 -3.277 -18.242 5.321 1.00 0.00 C ATOM 922 CG GLN A 59 -3.026 -18.660 6.761 1.00 0.00 C ATOM 923 CD GLN A 59 -1.902 -17.875 7.409 1.00 0.00 C ATOM 924 OE1 GLN A 59 -2.141 -16.898 8.118 1.00 0.00 O ATOM 925 NE2 GLN A 59 -0.667 -18.300 7.168 1.00 0.00 N ATOM 0 H GLN A 59 -2.327 -20.071 3.871 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.880 -19.669 5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.319 -18.120 4.815 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.768 -17.269 5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.940 -18.524 7.339 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.786 -19.723 6.790 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.515 -19.115 6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.129 -17.811 7.577 1.00 0.00 H new ATOM 934 N ALA A 60 -5.090 -19.236 2.307 1.00 0.00 N ATOM 935 CA ALA A 60 -5.774 -18.667 1.153 1.00 0.00 C ATOM 936 C ALA A 60 -7.262 -18.484 1.433 1.00 0.00 C ATOM 937 O ALA A 60 -7.938 -19.408 1.887 1.00 0.00 O ATOM 938 CB ALA A 60 -5.570 -19.550 -0.070 1.00 0.00 C ATOM 0 H ALA A 60 -4.815 -20.212 2.196 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.344 -17.685 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.086 -19.113 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.505 -19.627 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.972 -20.544 0.127 1.00 0.00 H new ATOM 944 N THR A 61 -7.768 -17.286 1.159 1.00 0.00 N ATOM 945 CA THR A 61 -9.175 -16.981 1.384 1.00 0.00 C ATOM 946 C THR A 61 -9.672 -17.600 2.685 1.00 0.00 C ATOM 947 O THR A 61 -10.861 -17.877 2.838 1.00 0.00 O ATOM 948 CB THR A 61 -10.052 -17.485 0.221 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.389 -16.995 0.367 1.00 0.00 O ATOM 950 CG2 THR A 61 -10.066 -19.006 0.176 1.00 0.00 C ATOM 0 H THR A 61 -7.224 -16.511 0.781 1.00 0.00 H new ATOM 0 HA THR A 61 -9.256 -15.896 1.448 1.00 0.00 H new ATOM 0 HB THR A 61 -9.630 -17.112 -0.712 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.682 -17.115 1.294 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.691 -19.340 -0.652 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.050 -19.375 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.467 -19.394 1.112 1.00 0.00 H new ATOM 958 N SER A 62 -8.753 -17.815 3.621 1.00 0.00 N ATOM 959 CA SER A 62 -9.097 -18.404 4.910 1.00 0.00 C ATOM 960 C SER A 62 -9.687 -17.355 5.847 1.00 0.00 C ATOM 961 O SER A 62 -10.797 -17.515 6.355 1.00 0.00 O ATOM 962 CB SER A 62 -7.861 -19.040 5.550 1.00 0.00 C ATOM 963 OG SER A 62 -8.182 -19.638 6.794 1.00 0.00 O ATOM 0 H SER A 62 -7.764 -17.590 3.511 1.00 0.00 H new ATOM 0 HA SER A 62 -9.847 -19.176 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.445 -19.791 4.878 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.092 -18.282 5.695 1.00 0.00 H new ATOM 0 HG SER A 62 -7.376 -20.039 7.182 1.00 0.00 H new ATOM 969 N SER A 63 -8.936 -16.282 6.072 1.00 0.00 N ATOM 970 CA SER A 63 -9.381 -15.207 6.951 1.00 0.00 C ATOM 971 C SER A 63 -8.725 -13.885 6.568 1.00 0.00 C ATOM 972 O SER A 63 -7.515 -13.820 6.351 1.00 0.00 O ATOM 973 CB SER A 63 -9.061 -15.546 8.408 1.00 0.00 C ATOM 974 OG SER A 63 -9.851 -16.630 8.865 1.00 0.00 O ATOM 0 H SER A 63 -8.016 -16.134 5.657 1.00 0.00 H new ATOM 0 HA SER A 63 -10.460 -15.102 6.839 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.004 -15.797 8.503 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.239 -14.673 9.035 1.00 0.00 H new ATOM 0 HG SER A 63 -10.373 -16.991 8.119 1.00 0.00 H new ATOM 980 N TRP A 64 -9.531 -12.833 6.488 1.00 0.00 N ATOM 981 CA TRP A 64 -9.030 -11.511 6.131 1.00 0.00 C ATOM 982 C TRP A 64 -8.331 -10.855 7.317 1.00 0.00 C ATOM 983 O TRP A 64 -8.531 -11.255 8.464 1.00 0.00 O ATOM 984 CB TRP A 64 -10.175 -10.622 5.643 1.00 0.00 C ATOM 985 CG TRP A 64 -10.397 -10.698 4.163 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.301 -11.487 3.509 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.702 -9.960 3.153 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.209 -11.282 2.153 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.236 -10.350 1.909 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.681 -9.005 3.178 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.782 -9.819 0.705 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.232 -8.479 1.982 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.782 -8.886 0.759 1.00 0.00 C ATOM 0 H TRP A 64 -10.535 -12.870 6.666 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.305 -11.631 5.326 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.093 -10.910 6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -9.966 -9.588 5.919 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.987 -12.171 3.987 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.774 -11.749 1.443 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.251 -8.684 4.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -10.204 -10.132 -0.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.443 -7.741 1.990 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.410 -8.455 -0.159 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.512 -9.848 7.033 1.00 0.00 N ATOM 1005 CA GLN A 65 -6.784 -9.138 8.078 1.00 0.00 C ATOM 1006 C GLN A 65 -7.179 -7.665 8.113 1.00 0.00 C ATOM 1007 O GLN A 65 -8.053 -7.230 7.366 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.276 -9.269 7.857 1.00 0.00 C ATOM 1009 CG GLN A 65 -4.686 -10.548 8.429 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.478 -11.032 7.651 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -2.389 -11.184 8.204 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -3.666 -11.277 6.359 1.00 0.00 N ATOM 0 H GLN A 65 -7.336 -9.505 6.089 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.044 -9.587 9.036 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.069 -9.230 6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.775 -8.413 8.310 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.401 -10.379 9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.449 -11.327 8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.586 -11.137 5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.890 -11.605 5.784 1.00 0.00 H new ATOM 1021 N ASN A 66 -6.528 -6.904 8.987 1.00 0.00 N ATOM 1022 CA ASN A 66 -6.813 -5.480 9.119 1.00 0.00 C ATOM 1023 C ASN A 66 -5.671 -4.761 9.831 1.00 0.00 C ATOM 1024 O ASN A 66 -5.268 -5.146 10.929 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.120 -5.269 9.887 1.00 0.00 C ATOM 1026 CG ASN A 66 -8.327 -6.308 10.972 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -7.389 -6.681 11.677 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -9.560 -6.780 11.110 1.00 0.00 N ATOM 0 H ASN A 66 -5.801 -7.249 9.613 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.916 -5.061 8.118 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.119 -4.275 10.335 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.957 -5.304 9.190 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.761 -7.481 11.823 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.307 -6.442 10.503 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.152 -3.714 9.198 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.056 -2.940 9.770 1.00 0.00 C ATOM 1037 C LEU A 67 -4.423 -1.462 9.862 1.00 0.00 C ATOM 1038 O LEU A 67 -4.326 -0.726 8.880 1.00 0.00 O ATOM 1039 CB LEU A 67 -2.791 -3.111 8.928 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.546 -2.378 9.430 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -0.783 -3.241 10.424 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.651 -1.987 8.263 1.00 0.00 C ATOM 0 H LEU A 67 -5.473 -3.382 8.289 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.868 -3.312 10.777 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.561 -4.175 8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.004 -2.771 7.915 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.864 -1.468 9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.100 -2.703 10.770 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.425 -3.471 11.274 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.476 -4.168 9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.230 -1.466 8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.341 -2.883 7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.200 -1.331 7.588 1.00 0.00 H new ATOM 1054 N ASP A 68 -4.844 -1.035 11.047 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.222 0.356 11.269 1.00 0.00 C ATOM 1056 C ASP A 68 -3.997 1.264 11.239 1.00 0.00 C ATOM 1057 O ASP A 68 -3.025 1.036 11.959 1.00 0.00 O ATOM 1058 CB ASP A 68 -5.948 0.502 12.607 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.051 0.192 13.789 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.237 -0.749 13.684 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -5.164 0.889 14.819 1.00 0.00 O ATOM 0 H ASP A 68 -4.932 -1.632 11.869 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.894 0.657 10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.330 1.519 12.701 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.810 -0.165 12.624 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.049 2.293 10.400 1.00 0.00 N ATOM 1067 CA ALA A 69 -2.945 3.236 10.276 1.00 0.00 C ATOM 1068 C ALA A 69 -2.978 4.270 11.396 1.00 0.00 C ATOM 1069 O ALA A 69 -2.008 4.996 11.615 1.00 0.00 O ATOM 1070 CB ALA A 69 -2.986 3.923 8.920 1.00 0.00 C ATOM 0 H ALA A 69 -4.845 2.495 9.795 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.013 2.678 10.359 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.155 4.624 8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.905 3.176 8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.927 4.462 8.814 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.101 4.333 12.104 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.261 5.278 13.203 1.00 0.00 C ATOM 1078 C LYS A 70 -3.755 6.662 12.809 1.00 0.00 C ATOM 1079 O LYS A 70 -3.318 7.439 13.658 1.00 0.00 O ATOM 1080 CB LYS A 70 -3.512 4.783 14.442 1.00 0.00 C ATOM 1081 CG LYS A 70 -3.894 3.374 14.862 1.00 0.00 C ATOM 1082 CD LYS A 70 -2.954 2.835 15.926 1.00 0.00 C ATOM 1083 CE LYS A 70 -1.635 2.376 15.324 1.00 0.00 C ATOM 1084 NZ LYS A 70 -0.629 2.052 16.374 1.00 0.00 N ATOM 0 H LYS A 70 -4.914 3.740 11.936 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.324 5.351 13.434 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.440 4.817 14.246 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.706 5.465 15.270 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.915 3.371 15.243 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.876 2.717 13.993 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.766 3.607 16.672 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.429 2.001 16.444 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.806 1.498 14.701 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.242 3.157 14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.256 1.743 15.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.447 2.897 16.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.993 1.289 16.980 1.00 0.00 H new ATOM 1098 N VAL A 71 -3.817 6.964 11.516 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.367 8.255 11.010 1.00 0.00 C ATOM 1100 C VAL A 71 -4.135 8.651 9.753 1.00 0.00 C ATOM 1101 O VAL A 71 -3.908 8.122 8.665 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.860 8.239 10.693 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.440 9.541 10.027 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.052 7.995 11.959 1.00 0.00 C ATOM 0 H VAL A 71 -4.175 6.332 10.800 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.558 8.987 11.795 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.662 7.423 9.999 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.372 9.511 9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.995 9.670 9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.652 10.376 10.695 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.011 7.987 11.716 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.254 8.789 12.678 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.333 7.034 12.391 1.00 0.00 H new ATOM 1114 N PRO A 72 -5.066 9.604 9.905 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.887 10.093 8.793 1.00 0.00 C ATOM 1116 C PRO A 72 -5.077 10.907 7.790 1.00 0.00 C ATOM 1117 O PRO A 72 -5.619 11.428 6.814 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.928 10.978 9.483 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.274 11.417 10.747 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.390 10.278 11.174 1.00 0.00 C ATOM 0 HA PRO A 72 -6.318 9.276 8.214 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.198 11.831 8.860 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.846 10.426 9.683 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.692 12.325 10.590 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.016 11.643 11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.493 10.634 11.681 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.902 9.609 11.865 1.00 0.00 H new ATOM 1128 N THR A 73 -3.774 11.013 8.034 1.00 0.00 N ATOM 1129 CA THR A 73 -2.890 11.764 7.153 1.00 0.00 C ATOM 1130 C THR A 73 -1.860 10.850 6.498 1.00 0.00 C ATOM 1131 O THR A 73 -0.993 11.309 5.756 1.00 0.00 O ATOM 1132 CB THR A 73 -2.155 12.883 7.914 1.00 0.00 C ATOM 1133 OG1 THR A 73 -1.032 12.341 8.618 1.00 0.00 O ATOM 1134 CG2 THR A 73 -3.090 13.573 8.896 1.00 0.00 C ATOM 0 H THR A 73 -3.308 10.587 8.835 1.00 0.00 H new ATOM 0 HA THR A 73 -3.518 12.211 6.382 1.00 0.00 H new ATOM 0 HB THR A 73 -1.808 13.618 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.569 13.059 9.098 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.549 14.360 9.422 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.929 14.009 8.354 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.463 12.845 9.616 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.963 9.554 6.777 1.00 0.00 N ATOM 1143 CA GLU A 74 -1.040 8.576 6.214 1.00 0.00 C ATOM 1144 C GLU A 74 -1.717 7.754 5.122 1.00 0.00 C ATOM 1145 O GLU A 74 -2.655 7.002 5.389 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.511 7.650 7.312 1.00 0.00 C ATOM 1147 CG GLU A 74 0.750 8.163 7.986 1.00 0.00 C ATOM 1148 CD GLU A 74 1.534 7.061 8.673 1.00 0.00 C ATOM 1149 OE1 GLU A 74 1.058 6.552 9.709 1.00 0.00 O ATOM 1150 OE2 GLU A 74 2.623 6.709 8.173 1.00 0.00 O ATOM 0 H GLU A 74 -2.676 9.158 7.389 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.204 9.117 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.286 7.515 8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.310 6.669 6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.384 8.646 7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.482 8.924 8.719 1.00 0.00 H new ATOM 1157 N ARG A 75 -1.236 7.903 3.893 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.796 7.176 2.759 1.00 0.00 C ATOM 1159 C ARG A 75 -0.893 6.012 2.361 1.00 0.00 C ATOM 1160 O ARG A 75 -0.836 5.630 1.192 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.989 8.117 1.568 1.00 0.00 C ATOM 1162 CG ARG A 75 -2.877 9.312 1.874 1.00 0.00 C ATOM 1163 CD ARG A 75 -4.307 8.884 2.163 1.00 0.00 C ATOM 1164 NE ARG A 75 -4.450 8.323 3.504 1.00 0.00 N ATOM 1165 CZ ARG A 75 -4.498 9.060 4.608 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -4.414 10.381 4.531 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -4.629 8.476 5.792 1.00 0.00 N ATOM 0 H ARG A 75 -0.460 8.521 3.656 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.765 6.776 3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.014 8.475 1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.421 7.556 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.478 9.853 2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.866 10.001 1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.971 9.742 2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.620 8.145 1.426 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.517 7.310 3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.312 10.833 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.451 10.945 5.380 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.693 7.460 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.666 9.043 6.639 1.00 0.00 H new ATOM 1181 N SER A 76 -0.189 5.454 3.341 1.00 0.00 N ATOM 1182 CA SER A 76 0.714 4.336 3.092 1.00 0.00 C ATOM 1183 C SER A 76 0.845 3.457 4.331 1.00 0.00 C ATOM 1184 O SER A 76 0.548 3.888 5.445 1.00 0.00 O ATOM 1185 CB SER A 76 2.092 4.851 2.670 1.00 0.00 C ATOM 1186 OG SER A 76 1.976 5.928 1.756 1.00 0.00 O ATOM 0 H SER A 76 -0.226 5.758 4.314 1.00 0.00 H new ATOM 0 HA SER A 76 0.295 3.735 2.285 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.648 5.175 3.550 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.662 4.042 2.213 1.00 0.00 H new ATOM 0 HG SER A 76 2.870 6.240 1.503 1.00 0.00 H new ATOM 1192 N ALA A 77 1.292 2.222 4.129 1.00 0.00 N ATOM 1193 CA ALA A 77 1.464 1.282 5.229 1.00 0.00 C ATOM 1194 C ALA A 77 2.304 0.083 4.801 1.00 0.00 C ATOM 1195 O ALA A 77 2.597 -0.091 3.618 1.00 0.00 O ATOM 1196 CB ALA A 77 0.110 0.821 5.747 1.00 0.00 C ATOM 0 H ALA A 77 1.542 1.849 3.213 1.00 0.00 H new ATOM 0 HA ALA A 77 1.993 1.795 6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.254 0.119 6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.457 1.682 6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.439 0.331 4.943 1.00 0.00 H new ATOM 1202 N VAL A 78 2.691 -0.740 5.770 1.00 0.00 N ATOM 1203 CA VAL A 78 3.497 -1.922 5.493 1.00 0.00 C ATOM 1204 C VAL A 78 2.899 -3.162 6.148 1.00 0.00 C ATOM 1205 O VAL A 78 2.545 -3.144 7.328 1.00 0.00 O ATOM 1206 CB VAL A 78 4.945 -1.742 5.987 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.762 -2.996 5.713 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.584 -0.527 5.332 1.00 0.00 C ATOM 0 H VAL A 78 2.459 -0.609 6.755 1.00 0.00 H new ATOM 0 HA VAL A 78 3.503 -2.054 4.411 1.00 0.00 H new ATOM 0 HB VAL A 78 4.925 -1.577 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.782 -2.851 6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.314 -3.843 6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.776 -3.194 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.607 -0.415 5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.593 -0.660 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.011 0.365 5.583 1.00 0.00 H new ATOM 1218 N LEU A 79 2.788 -4.237 5.376 1.00 0.00 N ATOM 1219 CA LEU A 79 2.232 -5.488 5.882 1.00 0.00 C ATOM 1220 C LEU A 79 3.338 -6.500 6.165 1.00 0.00 C ATOM 1221 O LEU A 79 3.999 -6.986 5.248 1.00 0.00 O ATOM 1222 CB LEU A 79 1.238 -6.070 4.876 1.00 0.00 C ATOM 1223 CG LEU A 79 0.140 -5.122 4.392 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.521 -5.668 3.136 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.893 -4.899 5.487 1.00 0.00 C ATOM 0 H LEU A 79 3.075 -4.268 4.398 1.00 0.00 H new ATOM 0 HA LEU A 79 1.712 -5.275 6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.795 -6.422 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.765 -6.942 5.326 1.00 0.00 H new ATOM 0 HG LEU A 79 0.596 -4.162 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.300 -4.980 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.226 -5.775 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.963 -6.641 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.667 -4.222 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.344 -5.853 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.409 -4.463 6.361 1.00 0.00 H new ATOM 1237 N VAL A 80 3.532 -6.814 7.442 1.00 0.00 N ATOM 1238 CA VAL A 80 4.555 -7.771 7.847 1.00 0.00 C ATOM 1239 C VAL A 80 3.942 -9.132 8.160 1.00 0.00 C ATOM 1240 O VAL A 80 2.722 -9.272 8.233 1.00 0.00 O ATOM 1241 CB VAL A 80 5.331 -7.274 9.080 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.143 -6.035 8.737 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.378 -6.995 10.233 1.00 0.00 C ATOM 0 H VAL A 80 2.994 -6.420 8.214 1.00 0.00 H new ATOM 0 HA VAL A 80 5.245 -7.871 7.009 1.00 0.00 H new ATOM 0 HB VAL A 80 6.022 -8.057 9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.685 -5.699 9.621 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.853 -6.273 7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.474 -5.244 8.398 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.944 -6.645 11.096 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.660 -6.231 9.935 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.846 -7.910 10.495 1.00 0.00 H new ATOM 1253 N ASN A 81 4.797 -10.132 8.344 1.00 0.00 N ATOM 1254 CA ASN A 81 4.340 -11.482 8.649 1.00 0.00 C ATOM 1255 C ASN A 81 3.524 -12.055 7.495 1.00 0.00 C ATOM 1256 O ASN A 81 2.387 -12.492 7.680 1.00 0.00 O ATOM 1257 CB ASN A 81 3.502 -11.482 9.930 1.00 0.00 C ATOM 1258 CG ASN A 81 4.138 -10.663 11.036 1.00 0.00 C ATOM 1259 OD1 ASN A 81 5.353 -10.464 11.058 1.00 0.00 O ATOM 1260 ND2 ASN A 81 3.317 -10.182 11.963 1.00 0.00 N ATOM 0 H ASN A 81 5.811 -10.033 8.287 1.00 0.00 H new ATOM 0 HA ASN A 81 5.218 -12.111 8.796 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.510 -11.086 9.712 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.367 -12.508 10.273 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.687 -9.623 12.732 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.316 -10.371 11.906 1.00 0.00 H new ATOM 1267 N LEU A 82 4.111 -12.049 6.303 1.00 0.00 N ATOM 1268 CA LEU A 82 3.439 -12.568 5.117 1.00 0.00 C ATOM 1269 C LEU A 82 4.059 -13.889 4.674 1.00 0.00 C ATOM 1270 O LEU A 82 5.093 -14.308 5.194 1.00 0.00 O ATOM 1271 CB LEU A 82 3.513 -11.550 3.978 1.00 0.00 C ATOM 1272 CG LEU A 82 2.844 -10.200 4.240 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.172 -9.216 3.128 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.337 -10.369 4.377 1.00 0.00 C ATOM 0 H LEU A 82 5.051 -11.691 6.132 1.00 0.00 H new ATOM 0 HA LEU A 82 2.394 -12.745 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.563 -11.373 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.058 -11.992 3.092 1.00 0.00 H new ATOM 0 HG LEU A 82 3.232 -9.800 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.687 -8.261 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.251 -9.071 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.813 -9.609 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.877 -9.398 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.933 -10.791 3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.120 -11.039 5.209 1.00 0.00 H new ATOM 1286 N LYS A 83 3.422 -14.542 3.707 1.00 0.00 N ATOM 1287 CA LYS A 83 3.912 -15.814 3.190 1.00 0.00 C ATOM 1288 C LYS A 83 4.889 -15.594 2.040 1.00 0.00 C ATOM 1289 O LYS A 83 4.809 -14.593 1.326 1.00 0.00 O ATOM 1290 CB LYS A 83 2.742 -16.681 2.720 1.00 0.00 C ATOM 1291 CG LYS A 83 3.160 -18.063 2.249 1.00 0.00 C ATOM 1292 CD LYS A 83 3.428 -18.995 3.419 1.00 0.00 C ATOM 1293 CE LYS A 83 4.099 -20.282 2.965 1.00 0.00 C ATOM 1294 NZ LYS A 83 3.103 -21.307 2.545 1.00 0.00 N ATOM 0 H LYS A 83 2.564 -14.210 3.266 1.00 0.00 H new ATOM 0 HA LYS A 83 4.437 -16.327 3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.027 -16.785 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.226 -16.170 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.378 -18.485 1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.056 -17.983 1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.062 -18.491 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.489 -19.230 3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.772 -20.068 2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.709 -20.679 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.599 -22.170 2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.476 -21.530 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.537 -20.938 1.754 1.00 0.00 H new ATOM 1308 N LYS A 84 5.810 -16.535 1.864 1.00 0.00 N ATOM 1309 CA LYS A 84 6.802 -16.446 0.799 1.00 0.00 C ATOM 1310 C LYS A 84 6.391 -17.297 -0.399 1.00 0.00 C ATOM 1311 O LYS A 84 6.033 -18.464 -0.250 1.00 0.00 O ATOM 1312 CB LYS A 84 8.172 -16.894 1.311 1.00 0.00 C ATOM 1313 CG LYS A 84 8.536 -16.311 2.665 1.00 0.00 C ATOM 1314 CD LYS A 84 9.982 -16.606 3.030 1.00 0.00 C ATOM 1315 CE LYS A 84 10.269 -16.270 4.485 1.00 0.00 C ATOM 1316 NZ LYS A 84 11.534 -16.897 4.959 1.00 0.00 N ATOM 0 H LYS A 84 5.890 -17.369 2.446 1.00 0.00 H new ATOM 0 HA LYS A 84 6.864 -15.406 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.188 -17.982 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.933 -16.608 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.376 -15.233 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.876 -16.723 3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.196 -17.659 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.646 -16.031 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.334 -15.188 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.440 -16.609 5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.695 -16.644 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.463 -17.931 4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.329 -16.554 4.382 1.00 0.00 H new ATOM 1330 N GLY A 85 6.448 -16.704 -1.588 1.00 0.00 N ATOM 1331 CA GLY A 85 6.080 -17.423 -2.793 1.00 0.00 C ATOM 1332 C GLY A 85 4.580 -17.584 -2.938 1.00 0.00 C ATOM 1333 O GLY A 85 4.077 -18.701 -3.060 1.00 0.00 O ATOM 0 H GLY A 85 6.742 -15.739 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.471 -16.893 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.548 -18.407 -2.782 1.00 0.00 H new ATOM 1337 N VAL A 86 3.862 -16.465 -2.924 1.00 0.00 N ATOM 1338 CA VAL A 86 2.410 -16.487 -3.054 1.00 0.00 C ATOM 1339 C VAL A 86 1.858 -15.084 -3.282 1.00 0.00 C ATOM 1340 O VAL A 86 2.414 -14.099 -2.796 1.00 0.00 O ATOM 1341 CB VAL A 86 1.744 -17.092 -1.805 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.015 -16.228 -0.583 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.248 -17.260 -2.028 1.00 0.00 C ATOM 0 H VAL A 86 4.262 -15.532 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 86 2.179 -17.110 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 86 2.175 -18.077 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.536 -16.672 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.090 -16.164 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.613 -15.228 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.207 -17.689 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.201 -16.288 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.079 -17.924 -2.876 1.00 0.00 H new ATOM 1353 N THR A 87 0.759 -15.000 -4.026 1.00 0.00 N ATOM 1354 CA THR A 87 0.131 -13.719 -4.320 1.00 0.00 C ATOM 1355 C THR A 87 -0.743 -13.256 -3.160 1.00 0.00 C ATOM 1356 O THR A 87 -1.386 -14.067 -2.492 1.00 0.00 O ATOM 1357 CB THR A 87 -0.727 -13.793 -5.597 1.00 0.00 C ATOM 1358 OG1 THR A 87 -0.172 -14.750 -6.505 1.00 0.00 O ATOM 1359 CG2 THR A 87 -0.809 -12.433 -6.273 1.00 0.00 C ATOM 0 H THR A 87 0.286 -15.805 -4.436 1.00 0.00 H new ATOM 0 HA THR A 87 0.936 -13.001 -4.474 1.00 0.00 H new ATOM 0 HB THR A 87 -1.733 -14.102 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.724 -14.792 -7.314 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.420 -12.510 -7.172 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.259 -11.713 -5.589 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.193 -12.100 -6.543 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.764 -11.949 -2.925 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.559 -11.379 -1.844 1.00 0.00 C ATOM 1369 C TYR A 88 -2.392 -10.202 -2.343 1.00 0.00 C ATOM 1370 O TYR A 88 -1.860 -9.248 -2.910 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.652 -10.927 -0.699 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.364 -12.015 0.311 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.230 -12.252 1.372 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.773 -12.806 0.205 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -0.972 -13.245 2.297 1.00 0.00 C ATOM 1376 CE2 TYR A 88 1.039 -13.802 1.125 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.164 -14.017 2.169 1.00 0.00 C ATOM 1378 OH TYR A 88 0.426 -15.007 3.088 1.00 0.00 O ATOM 0 H TYR A 88 -0.239 -11.264 -3.469 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.236 -12.151 -1.479 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.290 -10.569 -1.113 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.118 -10.084 -0.189 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.120 -11.649 1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.461 -12.640 -0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.656 -13.416 3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.927 -14.409 1.027 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.418 -15.358 3.440 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.701 -10.277 -2.125 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.608 -9.218 -2.552 1.00 0.00 C ATOM 1390 C GLU A 89 -4.871 -8.235 -1.415 1.00 0.00 C ATOM 1391 O GLU A 89 -5.390 -8.611 -0.363 1.00 0.00 O ATOM 1392 CB GLU A 89 -5.930 -9.814 -3.041 1.00 0.00 C ATOM 1393 CG GLU A 89 -6.862 -8.793 -3.670 1.00 0.00 C ATOM 1394 CD GLU A 89 -7.998 -9.437 -4.442 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -7.726 -10.057 -5.491 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -9.158 -9.321 -3.996 1.00 0.00 O ATOM 0 H GLU A 89 -4.157 -11.059 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.135 -8.679 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.718 -10.597 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.438 -10.288 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.275 -8.154 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.291 -8.150 -4.340 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.508 -6.976 -1.634 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.705 -5.939 -0.628 1.00 0.00 C ATOM 1405 C ILE A 90 -5.396 -4.718 -1.225 1.00 0.00 C ATOM 1406 O ILE A 90 -5.178 -4.373 -2.387 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.367 -5.502 -0.001 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.568 -6.725 0.453 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.613 -4.559 1.168 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.656 -7.282 -0.617 1.00 0.00 C ATOM 0 H ILE A 90 -4.076 -6.649 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.338 -6.369 0.148 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.785 -4.971 -0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.971 -6.456 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.261 -7.504 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.659 -4.259 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.146 -3.675 0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.211 -5.066 1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.121 -8.147 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.249 -7.583 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.939 -6.518 -0.918 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.231 -4.066 -0.423 1.00 0.00 N ATOM 1423 CA LYS A 91 -6.953 -2.881 -0.869 1.00 0.00 C ATOM 1424 C LYS A 91 -7.031 -1.840 0.243 1.00 0.00 C ATOM 1425 O LYS A 91 -6.598 -2.087 1.369 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.364 -3.260 -1.326 1.00 0.00 C ATOM 1427 CG LYS A 91 -8.913 -4.499 -0.640 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.353 -4.200 0.783 1.00 0.00 C ATOM 1429 CE LYS A 91 -10.200 -5.327 1.353 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.511 -5.443 0.657 1.00 0.00 N ATOM 0 H LYS A 91 -6.424 -4.339 0.541 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.408 -2.450 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.035 -2.422 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.356 -3.425 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.758 -4.887 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.151 -5.278 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.476 -4.049 1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.922 -3.271 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.658 -6.269 1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.367 -5.153 2.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.179 -5.964 1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.887 -4.493 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.384 -5.954 -0.240 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.586 -0.676 -0.079 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.722 0.402 0.893 1.00 0.00 C ATOM 1446 C VAL A 92 -9.120 1.008 0.848 1.00 0.00 C ATOM 1447 O VAL A 92 -9.693 1.195 -0.225 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.684 1.513 0.649 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.951 2.702 1.559 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.274 0.979 0.856 1.00 0.00 C ATOM 0 H VAL A 92 -7.949 -0.455 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.550 -0.035 1.877 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.773 1.849 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.208 3.477 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.946 3.098 1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.891 2.384 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.553 1.777 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.169 0.615 1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.088 0.162 0.159 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.664 1.315 2.022 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.995 1.901 2.117 1.00 0.00 C ATOM 1462 C ARG A 93 -11.074 2.888 3.278 1.00 0.00 C ATOM 1463 O ARG A 93 -10.830 2.543 4.435 1.00 0.00 O ATOM 1464 CB ARG A 93 -12.047 0.804 2.293 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.898 0.021 3.588 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.577 -1.337 3.498 1.00 0.00 C ATOM 1467 NE ARG A 93 -12.788 -1.931 4.815 1.00 0.00 N ATOM 1468 CZ ARG A 93 -13.621 -2.941 5.041 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -14.318 -3.465 4.043 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -13.759 -3.428 6.268 1.00 0.00 N ATOM 0 H ARG A 93 -9.203 1.167 2.920 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.194 2.440 1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -13.039 1.255 2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.985 0.114 1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.840 -0.114 3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -12.329 0.591 4.411 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.536 -1.230 2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.968 -2.007 2.891 1.00 0.00 H new ATOM 0 HE ARG A 93 -12.267 -1.550 5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.216 -3.093 3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.957 -4.240 4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.225 -3.027 7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.399 -4.203 6.440 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.422 4.145 2.965 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.541 5.207 3.969 1.00 0.00 C ATOM 1486 C PRO A 94 -12.737 5.001 4.891 1.00 0.00 C ATOM 1487 O PRO A 94 -13.880 5.242 4.505 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.726 6.471 3.126 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.313 5.990 1.845 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.727 4.626 1.607 1.00 0.00 C ATOM 0 HA PRO A 94 -10.676 5.242 4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.386 7.184 3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.776 6.979 2.960 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.400 5.942 1.908 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.070 6.667 1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.432 3.969 1.097 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.832 4.676 0.988 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.466 4.554 6.113 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.521 4.315 7.090 1.00 0.00 C ATOM 1500 C TYR A 95 -13.505 5.381 8.182 1.00 0.00 C ATOM 1501 O TYR A 95 -12.443 5.848 8.594 1.00 0.00 O ATOM 1502 CB TYR A 95 -13.361 2.927 7.715 1.00 0.00 C ATOM 1503 CG TYR A 95 -12.418 2.900 8.896 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.829 3.342 10.148 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -11.116 2.434 8.761 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.970 3.319 11.231 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -10.251 2.407 9.838 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.683 2.851 11.071 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.824 2.826 12.146 1.00 0.00 O ATOM 0 H TYR A 95 -11.525 4.350 6.450 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.479 4.366 6.572 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -14.339 2.566 8.033 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.998 2.235 6.955 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.836 3.710 10.277 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.774 2.087 7.797 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.305 3.666 12.197 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.243 2.040 9.716 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.957 2.467 11.864 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.690 5.760 8.647 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.815 6.771 9.690 1.00 0.00 C ATOM 1521 C PHE A 96 -15.006 6.120 11.057 1.00 0.00 C ATOM 1522 O PHE A 96 -14.184 6.290 11.957 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.989 7.704 9.388 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.247 8.712 10.471 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.307 9.686 10.768 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.429 8.686 11.193 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.542 10.616 11.764 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.670 9.613 12.190 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.724 10.578 12.476 1.00 0.00 C ATOM 0 H PHE A 96 -15.578 5.382 8.318 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.894 7.353 9.709 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.794 8.229 8.453 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.888 7.107 9.237 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.380 9.719 10.215 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.171 7.932 10.974 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.802 11.371 11.985 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.596 9.583 12.744 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.909 11.302 13.256 1.00 0.00 H new ATOM 1539 N ASN A 97 -16.097 5.376 11.205 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.398 4.701 12.462 1.00 0.00 C ATOM 1541 C ASN A 97 -16.576 3.201 12.245 1.00 0.00 C ATOM 1542 O ASN A 97 -15.759 2.398 12.694 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.662 5.290 13.092 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.387 6.581 13.839 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -16.279 7.115 13.793 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -18.399 7.089 14.534 1.00 0.00 N ATOM 0 H ASN A 97 -16.788 5.225 10.470 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.557 4.855 13.139 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.401 5.475 12.313 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.096 4.562 13.777 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.274 7.955 15.058 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.301 6.613 14.544 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.650 2.833 11.553 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.935 1.429 11.277 1.00 0.00 C ATOM 1555 C GLU A 98 -18.055 1.184 9.775 1.00 0.00 C ATOM 1556 O GLU A 98 -17.764 0.091 9.288 1.00 0.00 O ATOM 1557 CB GLU A 98 -19.224 1.000 11.980 1.00 0.00 C ATOM 1558 CG GLU A 98 -20.475 1.636 11.398 1.00 0.00 C ATOM 1559 CD GLU A 98 -20.847 2.932 12.092 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -19.945 3.580 12.663 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -22.041 3.299 12.063 1.00 0.00 O ATOM 0 H GLU A 98 -18.336 3.486 11.174 1.00 0.00 H new ATOM 0 HA GLU A 98 -17.106 0.834 11.660 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -19.317 -0.084 11.921 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -19.154 1.257 13.037 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.320 1.828 10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -21.305 0.934 11.477 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.487 2.208 9.047 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.648 2.104 7.602 1.00 0.00 C ATOM 1570 C PHE A 99 -17.319 2.335 6.888 1.00 0.00 C ATOM 1571 O PHE A 99 -16.402 2.940 7.443 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.686 3.115 7.109 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.507 4.489 7.689 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -20.014 4.797 8.941 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.833 5.472 6.982 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -19.851 6.061 9.478 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.667 6.736 7.515 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.178 7.032 8.764 1.00 0.00 C ATOM 0 H PHE A 99 -18.732 3.119 9.434 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.994 1.096 7.372 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.632 3.178 6.022 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.683 2.751 7.358 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.542 4.042 9.504 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.433 5.248 6.004 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.250 6.288 10.455 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -18.138 7.493 6.955 1.00 0.00 H new ATOM 0 HZ PHE A 99 -19.051 8.020 9.181 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.223 1.847 5.656 1.00 0.00 N ATOM 1589 CA GLN A 100 -16.006 1.998 4.867 1.00 0.00 C ATOM 1590 C GLN A 100 -16.322 2.541 3.477 1.00 0.00 C ATOM 1591 O GLN A 100 -17.206 2.033 2.788 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.278 0.658 4.751 1.00 0.00 C ATOM 1593 CG GLN A 100 -16.101 -0.424 4.070 1.00 0.00 C ATOM 1594 CD GLN A 100 -17.266 -0.894 4.919 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -18.384 -0.395 4.790 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -17.009 -1.858 5.795 1.00 0.00 N ATOM 0 H GLN A 100 -17.973 1.344 5.182 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.359 2.711 5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.352 0.804 4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.000 0.318 5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.478 -0.044 3.121 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.458 -1.274 3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.067 -2.243 5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.753 -2.214 6.395 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.594 3.576 3.071 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.812 4.171 1.765 1.00 0.00 C ATOM 1607 C GLY A 101 -15.605 3.181 0.636 1.00 0.00 C ATOM 1608 O GLY A 101 -15.266 2.022 0.872 1.00 0.00 O ATOM 0 H GLY A 101 -14.857 4.014 3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.826 4.568 1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.133 5.013 1.635 1.00 0.00 H new ATOM 1612 N MET A 102 -15.811 3.638 -0.595 1.00 0.00 N ATOM 1613 CA MET A 102 -15.646 2.784 -1.765 1.00 0.00 C ATOM 1614 C MET A 102 -14.244 2.183 -1.806 1.00 0.00 C ATOM 1615 O MET A 102 -13.272 2.873 -2.114 1.00 0.00 O ATOM 1616 CB MET A 102 -15.910 3.579 -3.045 1.00 0.00 C ATOM 1617 CG MET A 102 -17.328 4.118 -3.144 1.00 0.00 C ATOM 1618 SD MET A 102 -17.532 5.291 -4.498 1.00 0.00 S ATOM 1619 CE MET A 102 -17.222 4.235 -5.911 1.00 0.00 C ATOM 0 H MET A 102 -16.092 4.595 -0.808 1.00 0.00 H new ATOM 0 HA MET A 102 -16.369 1.971 -1.695 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.209 4.412 -3.097 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.711 2.941 -3.906 1.00 0.00 H new ATOM 0 HG2 MET A 102 -18.020 3.287 -3.281 1.00 0.00 H new ATOM 0 HG3 MET A 102 -17.595 4.603 -2.205 1.00 0.00 H new ATOM 0 HE1 MET A 102 -17.516 4.753 -6.824 1.00 0.00 H new ATOM 0 HE2 MET A 102 -16.160 3.992 -5.958 1.00 0.00 H new ATOM 0 HE3 MET A 102 -17.800 3.316 -5.813 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.148 0.896 -1.493 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.865 0.203 -1.494 1.00 0.00 C ATOM 1631 C ASP A 103 -12.079 0.517 -2.764 1.00 0.00 C ATOM 1632 O ASP A 103 -12.655 0.671 -3.840 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.077 -1.307 -1.372 1.00 0.00 C ATOM 1634 CG ASP A 103 -13.850 -1.880 -2.543 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -14.701 -1.158 -3.103 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -13.604 -3.052 -2.900 1.00 0.00 O ATOM 0 H ASP A 103 -14.943 0.311 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.290 0.552 -0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.109 -1.802 -1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.612 -1.522 -0.447 1.00 0.00 H new ATOM 1641 N SER A 104 -10.760 0.613 -2.629 1.00 0.00 N ATOM 1642 CA SER A 104 -9.896 0.914 -3.763 1.00 0.00 C ATOM 1643 C SER A 104 -9.645 -0.336 -4.602 1.00 0.00 C ATOM 1644 O SER A 104 -10.018 -1.442 -4.213 1.00 0.00 O ATOM 1645 CB SER A 104 -8.564 1.491 -3.278 1.00 0.00 C ATOM 1646 OG SER A 104 -7.921 2.224 -4.307 1.00 0.00 O ATOM 0 H SER A 104 -10.267 0.487 -1.745 1.00 0.00 H new ATOM 0 HA SER A 104 -10.400 1.654 -4.385 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.736 2.139 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.914 0.683 -2.943 1.00 0.00 H new ATOM 0 HG SER A 104 -8.588 2.735 -4.811 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.011 -0.150 -5.756 1.00 0.00 N ATOM 1653 CA GLU A 105 -8.711 -1.261 -6.650 1.00 0.00 C ATOM 1654 C GLU A 105 -7.845 -2.305 -5.950 1.00 0.00 C ATOM 1655 O GLU A 105 -6.752 -2.000 -5.474 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.004 -0.756 -7.909 1.00 0.00 C ATOM 1657 CG GLU A 105 -8.898 0.066 -8.822 1.00 0.00 C ATOM 1658 CD GLU A 105 -9.938 -0.778 -9.533 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -9.569 -1.840 -10.076 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -11.120 -0.376 -9.547 1.00 0.00 O ATOM 0 H GLU A 105 -8.696 0.760 -6.093 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.654 -1.729 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.145 -0.152 -7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.618 -1.610 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.399 0.836 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.283 0.578 -9.562 1.00 0.00 H new ATOM 1667 N SER A 106 -8.342 -3.536 -5.893 1.00 0.00 N ATOM 1668 CA SER A 106 -7.617 -4.624 -5.248 1.00 0.00 C ATOM 1669 C SER A 106 -6.369 -4.992 -6.044 1.00 0.00 C ATOM 1670 O SER A 106 -6.457 -5.561 -7.132 1.00 0.00 O ATOM 1671 CB SER A 106 -8.520 -5.850 -5.098 1.00 0.00 C ATOM 1672 OG SER A 106 -9.056 -6.243 -6.350 1.00 0.00 O ATOM 0 H SER A 106 -9.244 -3.805 -6.286 1.00 0.00 H new ATOM 0 HA SER A 106 -7.309 -4.286 -4.259 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.951 -6.674 -4.667 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.331 -5.626 -4.405 1.00 0.00 H new ATOM 0 HG SER A 106 -8.337 -6.286 -7.015 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.205 -4.662 -5.494 1.00 0.00 N ATOM 1679 CA LYS A 107 -3.937 -4.958 -6.150 1.00 0.00 C ATOM 1680 C LYS A 107 -3.319 -6.235 -5.590 1.00 0.00 C ATOM 1681 O LYS A 107 -3.305 -6.451 -4.378 1.00 0.00 O ATOM 1682 CB LYS A 107 -2.964 -3.789 -5.976 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.370 -2.541 -6.740 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.215 -2.730 -8.239 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.563 -1.459 -9.000 1.00 0.00 C ATOM 1686 NZ LYS A 107 -3.054 -1.494 -10.399 1.00 0.00 N ATOM 0 H LYS A 107 -5.114 -4.189 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.132 -5.106 -7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.886 -3.547 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.973 -4.100 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.406 -2.293 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.760 -1.699 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.190 -3.022 -8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.859 -3.543 -8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.645 -1.326 -9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.141 -0.598 -8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.311 -0.611 -10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.019 -1.595 -10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.476 -2.301 -10.902 1.00 0.00 H new ATOM 1700 N THR A 108 -2.807 -7.079 -6.481 1.00 0.00 N ATOM 1701 CA THR A 108 -2.188 -8.334 -6.075 1.00 0.00 C ATOM 1702 C THR A 108 -0.669 -8.208 -6.027 1.00 0.00 C ATOM 1703 O THR A 108 -0.057 -7.611 -6.913 1.00 0.00 O ATOM 1704 CB THR A 108 -2.566 -9.482 -7.031 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.702 -8.982 -8.366 1.00 0.00 O ATOM 1706 CG2 THR A 108 -3.865 -10.143 -6.596 1.00 0.00 C ATOM 0 H THR A 108 -2.809 -6.916 -7.488 1.00 0.00 H new ATOM 0 HA THR A 108 -2.563 -8.563 -5.077 1.00 0.00 H new ATOM 0 HB THR A 108 -1.771 -10.227 -7.002 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.941 -9.718 -8.968 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.111 -10.950 -7.286 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.748 -10.548 -5.591 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.667 -9.405 -6.599 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.065 -8.774 -4.987 1.00 0.00 N ATOM 1715 CA VAL A 109 1.383 -8.726 -4.824 1.00 0.00 C ATOM 1716 C VAL A 109 1.976 -10.129 -4.766 1.00 0.00 C ATOM 1717 O VAL A 109 1.616 -10.932 -3.905 1.00 0.00 O ATOM 1718 CB VAL A 109 1.779 -7.960 -3.548 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.239 -8.665 -2.313 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.290 -7.807 -3.466 1.00 0.00 C ATOM 0 H VAL A 109 -0.556 -9.271 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 109 1.782 -8.202 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 109 1.338 -6.964 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.529 -8.109 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.152 -8.718 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.649 -9.674 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.552 -7.263 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.755 -8.793 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.648 -7.255 -4.335 1.00 0.00 H new ATOM 1730 N ARG A 110 2.887 -10.419 -5.689 1.00 0.00 N ATOM 1731 CA ARG A 110 3.531 -11.726 -5.744 1.00 0.00 C ATOM 1732 C ARG A 110 4.850 -11.715 -4.978 1.00 0.00 C ATOM 1733 O ARG A 110 5.825 -11.097 -5.408 1.00 0.00 O ATOM 1734 CB ARG A 110 3.775 -12.137 -7.197 1.00 0.00 C ATOM 1735 CG ARG A 110 3.813 -13.642 -7.406 1.00 0.00 C ATOM 1736 CD ARG A 110 4.116 -13.996 -8.854 1.00 0.00 C ATOM 1737 NE ARG A 110 2.982 -13.721 -9.732 1.00 0.00 N ATOM 1738 CZ ARG A 110 3.071 -13.687 -11.057 1.00 0.00 C ATOM 1739 NH1 ARG A 110 4.234 -13.910 -11.653 1.00 0.00 N ATOM 1740 NH2 ARG A 110 1.994 -13.430 -11.789 1.00 0.00 N ATOM 0 H ARG A 110 3.196 -9.766 -6.409 1.00 0.00 H new ATOM 0 HA ARG A 110 2.866 -12.451 -5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.990 -11.712 -7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.719 -11.708 -7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.570 -14.082 -6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.855 -14.075 -7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.983 -13.428 -9.192 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.380 -15.051 -8.922 1.00 0.00 H new ATOM 0 HE ARG A 110 2.073 -13.546 -9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.064 -14.108 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.299 -13.883 -12.671 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.097 -13.258 -11.334 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.063 -13.404 -12.806 1.00 0.00 H new ATOM 1754 N THR A 111 4.875 -12.403 -3.841 1.00 0.00 N ATOM 1755 CA THR A 111 6.073 -12.471 -3.014 1.00 0.00 C ATOM 1756 C THR A 111 7.071 -13.478 -3.574 1.00 0.00 C ATOM 1757 O THR A 111 6.875 -14.689 -3.463 1.00 0.00 O ATOM 1758 CB THR A 111 5.733 -12.855 -1.562 1.00 0.00 C ATOM 1759 OG1 THR A 111 4.957 -14.058 -1.542 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.963 -11.738 -0.873 1.00 0.00 C ATOM 0 H THR A 111 4.078 -12.922 -3.472 1.00 0.00 H new ATOM 0 HA THR A 111 6.520 -11.477 -3.023 1.00 0.00 H new ATOM 0 HB THR A 111 6.667 -13.017 -1.024 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.819 -14.343 -0.615 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.734 -12.032 0.151 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.568 -10.831 -0.864 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.035 -11.549 -1.412 1.00 0.00 H new ATOM 1768 N THR A 112 8.142 -12.972 -4.175 1.00 0.00 N ATOM 1769 CA THR A 112 9.171 -13.827 -4.753 1.00 0.00 C ATOM 1770 C THR A 112 9.598 -14.913 -3.772 1.00 0.00 C ATOM 1771 O THR A 112 9.289 -14.843 -2.583 1.00 0.00 O ATOM 1772 CB THR A 112 10.410 -13.013 -5.171 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.495 -13.895 -5.478 1.00 0.00 O ATOM 1774 CG2 THR A 112 10.826 -12.055 -4.065 1.00 0.00 C ATOM 0 H THR A 112 8.320 -11.973 -4.274 1.00 0.00 H new ATOM 0 HA THR A 112 8.735 -14.291 -5.638 1.00 0.00 H new ATOM 0 HB THR A 112 10.154 -12.431 -6.057 1.00 0.00 H new ATOM 0 HG1 THR A 112 12.278 -13.370 -5.744 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.703 -11.491 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.008 -11.366 -3.854 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.065 -12.621 -3.165 1.00 0.00 H new ATOM 1782 N GLU A 113 10.309 -15.915 -4.278 1.00 0.00 N ATOM 1783 CA GLU A 113 10.778 -17.016 -3.444 1.00 0.00 C ATOM 1784 C GLU A 113 12.300 -17.008 -3.337 1.00 0.00 C ATOM 1785 O GLU A 113 12.855 -16.935 -2.241 1.00 0.00 O ATOM 1786 CB GLU A 113 10.303 -18.355 -4.013 1.00 0.00 C ATOM 1787 CG GLU A 113 8.948 -18.795 -3.484 1.00 0.00 C ATOM 1788 CD GLU A 113 8.658 -20.255 -3.769 1.00 0.00 C ATOM 1789 OE1 GLU A 113 8.884 -20.694 -4.916 1.00 0.00 O ATOM 1790 OE2 GLU A 113 8.203 -20.960 -2.844 1.00 0.00 O ATOM 0 H GLU A 113 10.573 -15.988 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 113 10.360 -16.885 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.253 -18.281 -5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.041 -19.122 -3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.909 -18.624 -2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.169 -18.179 -3.933 1.00 0.00 H new ATOM 1797 N GLU A 114 12.968 -17.083 -4.484 1.00 0.00 N ATOM 1798 CA GLU A 114 14.426 -17.085 -4.519 1.00 0.00 C ATOM 1799 C GLU A 114 14.970 -15.667 -4.662 1.00 0.00 C ATOM 1800 O GLU A 114 14.770 -15.015 -5.687 1.00 0.00 O ATOM 1801 CB GLU A 114 14.929 -17.955 -5.672 1.00 0.00 C ATOM 1802 CG GLU A 114 16.444 -18.044 -5.752 1.00 0.00 C ATOM 1803 CD GLU A 114 16.916 -19.199 -6.614 1.00 0.00 C ATOM 1804 OE1 GLU A 114 16.848 -20.355 -6.147 1.00 0.00 O ATOM 1805 OE2 GLU A 114 17.354 -18.945 -7.756 1.00 0.00 O ATOM 0 H GLU A 114 12.523 -17.143 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 114 14.785 -17.499 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.520 -18.959 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.547 -17.555 -6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.838 -17.111 -6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 114 16.851 -18.155 -4.747 1.00 0.00 H new ATOM 1812 N SER A 115 15.657 -15.195 -3.627 1.00 0.00 N ATOM 1813 CA SER A 115 16.225 -13.852 -3.635 1.00 0.00 C ATOM 1814 C SER A 115 17.711 -13.889 -3.289 1.00 0.00 C ATOM 1815 O SER A 115 18.085 -13.980 -2.121 1.00 0.00 O ATOM 1816 CB SER A 115 15.481 -12.954 -2.645 1.00 0.00 C ATOM 1817 OG SER A 115 15.619 -11.587 -2.993 1.00 0.00 O ATOM 0 H SER A 115 15.834 -15.723 -2.772 1.00 0.00 H new ATOM 0 HA SER A 115 16.113 -13.443 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 115 14.425 -13.223 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 115 15.868 -13.117 -1.639 1.00 0.00 H new ATOM 0 HG SER A 115 15.133 -11.034 -2.346 1.00 0.00 H new ATOM 1823 N GLY A 116 18.553 -13.818 -4.315 1.00 0.00 N ATOM 1824 CA GLY A 116 19.988 -13.845 -4.100 1.00 0.00 C ATOM 1825 C GLY A 116 20.383 -14.730 -2.934 1.00 0.00 C ATOM 1826 O GLY A 116 20.700 -14.252 -1.844 1.00 0.00 O ATOM 0 H GLY A 116 18.267 -13.742 -5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 116 20.481 -14.200 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 116 20.344 -12.831 -3.919 1.00 0.00 H new ATOM 1830 N PRO A 117 20.366 -16.052 -3.158 1.00 0.00 N ATOM 1831 CA PRO A 117 20.722 -17.033 -2.129 1.00 0.00 C ATOM 1832 C PRO A 117 22.209 -17.010 -1.794 1.00 0.00 C ATOM 1833 O PRO A 117 23.056 -17.146 -2.677 1.00 0.00 O ATOM 1834 CB PRO A 117 20.338 -18.371 -2.766 1.00 0.00 C ATOM 1835 CG PRO A 117 20.407 -18.125 -4.234 1.00 0.00 C ATOM 1836 CD PRO A 117 20.000 -16.691 -4.433 1.00 0.00 C ATOM 0 HA PRO A 117 20.216 -16.834 -1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 117 21.023 -19.164 -2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 117 19.338 -18.681 -2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 117 21.414 -18.301 -4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 117 19.741 -18.798 -4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 117 20.524 -16.238 -5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 117 18.933 -16.601 -4.636 1.00 0.00 H new ATOM 1844 N SER A 118 22.521 -16.837 -0.514 1.00 0.00 N ATOM 1845 CA SER A 118 23.907 -16.792 -0.063 1.00 0.00 C ATOM 1846 C SER A 118 24.473 -18.200 0.092 1.00 0.00 C ATOM 1847 O SER A 118 25.501 -18.537 -0.497 1.00 0.00 O ATOM 1848 CB SER A 118 24.010 -16.040 1.265 1.00 0.00 C ATOM 1849 OG SER A 118 25.352 -15.984 1.716 1.00 0.00 O ATOM 0 H SER A 118 21.832 -16.726 0.230 1.00 0.00 H new ATOM 0 HA SER A 118 24.491 -16.264 -0.817 1.00 0.00 H new ATOM 0 HB2 SER A 118 23.621 -15.029 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 118 23.391 -16.533 2.015 1.00 0.00 H new ATOM 0 HG SER A 118 25.392 -15.497 2.566 1.00 0.00 H new ATOM 1855 N SER A 119 23.795 -19.020 0.889 1.00 0.00 N ATOM 1856 CA SER A 119 24.231 -20.391 1.126 1.00 0.00 C ATOM 1857 C SER A 119 24.664 -21.056 -0.177 1.00 0.00 C ATOM 1858 O SER A 119 24.178 -20.712 -1.254 1.00 0.00 O ATOM 1859 CB SER A 119 23.108 -21.201 1.777 1.00 0.00 C ATOM 1860 OG SER A 119 23.537 -22.518 2.076 1.00 0.00 O ATOM 0 H SER A 119 22.941 -18.758 1.382 1.00 0.00 H new ATOM 0 HA SER A 119 25.086 -20.362 1.801 1.00 0.00 H new ATOM 0 HB2 SER A 119 22.781 -20.705 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 119 22.248 -21.238 1.109 1.00 0.00 H new ATOM 0 HG SER A 119 22.802 -23.015 2.493 1.00 0.00 H new ATOM 1866 N GLY A 120 25.582 -22.012 -0.070 1.00 0.00 N ATOM 1867 CA GLY A 120 26.066 -22.711 -1.247 1.00 0.00 C ATOM 1868 C GLY A 120 27.555 -22.525 -1.460 1.00 0.00 C ATOM 1869 O GLY A 120 27.994 -21.480 -1.941 1.00 0.00 O ATOM 0 H GLY A 120 25.999 -22.315 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 120 25.846 -23.774 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 120 25.529 -22.353 -2.125 1.00 0.00 H new TER 1873 GLY A 120