USER MOD reduce.3.24.130724 H: found=0, std=0, add=1093, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1089 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 102 GLN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Set 1.2: A 125 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 60 SER OG : rot 180:sc= -0.161 USER MOD Set 2.2: A 63 HIS : no HD1:sc= -2.14 K(o=-2.3,f=-4.9!) USER MOD Set 3.1: A 39 THR OG1 : rot -150:sc= 0.0128 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 3 SER OG : rot 132:sc= 0.168 USER MOD Set 4.2: A 6 SER OG : rot -172:sc= 0.148 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -36:sc= -0.112 USER MOD Single : A 25 MET CE :methyl 170:sc=-0.00138 (180deg=-0.169) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -0.29 USER MOD Single : A 48 TYR OH : rot -178:sc= 0.136 USER MOD Single : A 49 GLN : amide:sc= -0.0651 X(o=-0.065,f=-0.23) USER MOD Single : A 52 SER OG : rot 90:sc= -0.88 USER MOD Single : A 53 LYS NZ :NH3+ -129:sc= 0.343 (180deg=-1.52!) USER MOD Single : A 55 CYS SG : rot 25:sc= -0.378 USER MOD Single : A 58 MET CE :methyl 132:sc= -0.293 (180deg=-1.15) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.896 K(o=-0.9,f=-8!) USER MOD Single : A 69 ASN : amide:sc= -0.0824 K(o=-0.082,f=-11!) USER MOD Single : A 73 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.7!) USER MOD Single : A 75 THR OG1 : rot -9:sc= 0.287 USER MOD Single : A 77 MET CE :methyl -130:sc= -1.09 (180deg=-3.17!) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -100:sc= 0.00385 USER MOD Single : A 83 ASN : amide:sc=-0.00377 X(o=-0.0038,f=-0.045) USER MOD Single : A 88 ASN : amide:sc= -1.38 K(o=-1.4,f=-8.1!) USER MOD Single : A 98 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0605 USER MOD Single : A 101 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.019) USER MOD Single : A 105 TYR OH : rot 150:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0.034) USER MOD Single : A 114 ASN : amide:sc= -0.642 K(o=-0.64,f=-2.9!) USER MOD Single : A 115 LYS NZ :NH3+ 144:sc= 1.22 (180deg=0.225) USER MOD Single : A 117 ASN : amide:sc= 0.00221 X(o=0.0022,f=-0.028) USER MOD Single : A 120 TYR OH : rot 150:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 CYS SG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot -113:sc= 0.58 USER MOD Single : A 139 LYS NZ :NH3+ -149:sc= -0.308 (180deg=-1.69!) USER MOD Single : A 140 SER OG : rot -107:sc= 0.0113 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 6:sc= 0.354! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.999 -31.661 -2.545 1.00 0.00 N ATOM 2 CA GLY A 1 38.340 -32.849 -1.785 1.00 0.00 C ATOM 3 C GLY A 1 38.700 -32.534 -0.347 1.00 0.00 C ATOM 4 O GLY A 1 37.827 -32.226 0.466 1.00 0.00 O ATOM 0 H1 GLY A 1 37.761 -31.930 -3.521 1.00 0.00 H new ATOM 0 H2 GLY A 1 37.182 -31.191 -2.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 38.810 -31.010 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.498 -33.541 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 1 39.179 -33.355 -2.264 1.00 0.00 H new ATOM 8 N SER A 2 39.989 -32.611 -0.030 1.00 0.00 N ATOM 9 CA SER A 2 40.461 -32.337 1.322 1.00 0.00 C ATOM 10 C SER A 2 40.832 -30.866 1.480 1.00 0.00 C ATOM 11 O SER A 2 42.000 -30.493 1.367 1.00 0.00 O ATOM 12 CB SER A 2 41.668 -33.217 1.652 1.00 0.00 C ATOM 13 OG SER A 2 41.874 -33.298 3.051 1.00 0.00 O ATOM 0 H SER A 2 40.725 -32.861 -0.691 1.00 0.00 H new ATOM 0 HA SER A 2 39.652 -32.567 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 2 41.515 -34.217 1.246 1.00 0.00 H new ATOM 0 HB3 SER A 2 42.559 -32.811 1.173 1.00 0.00 H new ATOM 0 HG SER A 2 42.650 -33.867 3.235 1.00 0.00 H new ATOM 19 N SER A 3 39.829 -30.034 1.742 1.00 0.00 N ATOM 20 CA SER A 3 40.048 -28.602 1.912 1.00 0.00 C ATOM 21 C SER A 3 39.540 -28.132 3.272 1.00 0.00 C ATOM 22 O SER A 3 38.921 -28.894 4.013 1.00 0.00 O ATOM 23 CB SER A 3 39.349 -27.822 0.797 1.00 0.00 C ATOM 24 OG SER A 3 37.941 -27.931 0.903 1.00 0.00 O ATOM 0 H SER A 3 38.857 -30.327 1.841 1.00 0.00 H new ATOM 0 HA SER A 3 41.121 -28.415 1.860 1.00 0.00 H new ATOM 0 HB2 SER A 3 39.640 -26.773 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 3 39.674 -28.198 -0.173 1.00 0.00 H new ATOM 0 HG SER A 3 37.537 -27.042 0.822 1.00 0.00 H new ATOM 30 N GLY A 4 39.808 -26.870 3.593 1.00 0.00 N ATOM 31 CA GLY A 4 39.372 -26.319 4.862 1.00 0.00 C ATOM 32 C GLY A 4 37.875 -26.085 4.909 1.00 0.00 C ATOM 33 O GLY A 4 37.118 -26.950 5.351 1.00 0.00 O ATOM 0 H GLY A 4 40.319 -26.220 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 4 39.656 -26.998 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 4 39.890 -25.377 5.043 1.00 0.00 H new ATOM 37 N SER A 5 37.446 -24.912 4.454 1.00 0.00 N ATOM 38 CA SER A 5 36.030 -24.565 4.451 1.00 0.00 C ATOM 39 C SER A 5 35.523 -24.364 3.026 1.00 0.00 C ATOM 40 O SER A 5 36.181 -23.724 2.205 1.00 0.00 O ATOM 41 CB SER A 5 35.793 -23.296 5.272 1.00 0.00 C ATOM 42 OG SER A 5 36.861 -22.378 5.113 1.00 0.00 O ATOM 0 H SER A 5 38.059 -24.186 4.083 1.00 0.00 H new ATOM 0 HA SER A 5 35.478 -25.390 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 5 34.858 -22.828 4.962 1.00 0.00 H new ATOM 0 HB3 SER A 5 35.686 -23.555 6.325 1.00 0.00 H new ATOM 0 HG SER A 5 36.684 -21.575 5.646 1.00 0.00 H new ATOM 48 N SER A 6 34.348 -24.916 2.739 1.00 0.00 N ATOM 49 CA SER A 6 33.753 -24.802 1.413 1.00 0.00 C ATOM 50 C SER A 6 32.232 -24.734 1.504 1.00 0.00 C ATOM 51 O SER A 6 31.661 -24.791 2.592 1.00 0.00 O ATOM 52 CB SER A 6 34.170 -25.987 0.540 1.00 0.00 C ATOM 53 OG SER A 6 35.580 -26.129 0.513 1.00 0.00 O ATOM 0 H SER A 6 33.789 -25.447 3.407 1.00 0.00 H new ATOM 0 HA SER A 6 34.114 -23.880 0.958 1.00 0.00 H new ATOM 0 HB2 SER A 6 33.716 -26.902 0.922 1.00 0.00 H new ATOM 0 HB3 SER A 6 33.796 -25.845 -0.474 1.00 0.00 H new ATOM 0 HG SER A 6 35.828 -26.809 -0.147 1.00 0.00 H new ATOM 59 N GLY A 7 31.581 -24.611 0.351 1.00 0.00 N ATOM 60 CA GLY A 7 30.132 -24.537 0.322 1.00 0.00 C ATOM 61 C GLY A 7 29.590 -24.335 -1.080 1.00 0.00 C ATOM 62 O GLY A 7 30.354 -24.175 -2.032 1.00 0.00 O ATOM 0 H GLY A 7 32.031 -24.561 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 7 29.716 -25.453 0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.800 -23.717 0.958 1.00 0.00 H new ATOM 66 N VAL A 8 28.267 -24.344 -1.208 1.00 0.00 N ATOM 67 CA VAL A 8 27.623 -24.161 -2.503 1.00 0.00 C ATOM 68 C VAL A 8 26.136 -23.868 -2.342 1.00 0.00 C ATOM 69 O VAL A 8 25.483 -24.390 -1.436 1.00 0.00 O ATOM 70 CB VAL A 8 27.796 -25.404 -3.397 1.00 0.00 C ATOM 71 CG1 VAL A 8 27.231 -26.638 -2.710 1.00 0.00 C ATOM 72 CG2 VAL A 8 27.133 -25.185 -4.748 1.00 0.00 C ATOM 0 H VAL A 8 27.620 -24.476 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 8 28.108 -23.309 -2.979 1.00 0.00 H new ATOM 0 HB VAL A 8 28.861 -25.566 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 8 27.362 -27.506 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 8 27.756 -26.803 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 8 26.169 -26.490 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 8 27.265 -26.073 -5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 8 26.069 -24.997 -4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 8 27.589 -24.327 -5.242 1.00 0.00 H new ATOM 82 N THR A 9 25.604 -23.030 -3.226 1.00 0.00 N ATOM 83 CA THR A 9 24.193 -22.667 -3.181 1.00 0.00 C ATOM 84 C THR A 9 23.550 -22.790 -4.558 1.00 0.00 C ATOM 85 O THR A 9 24.235 -23.007 -5.557 1.00 0.00 O ATOM 86 CB THR A 9 23.999 -21.229 -2.664 1.00 0.00 C ATOM 87 OG1 THR A 9 24.989 -20.366 -3.234 1.00 0.00 O ATOM 88 CG2 THR A 9 24.093 -21.183 -1.146 1.00 0.00 C ATOM 0 H THR A 9 26.129 -22.590 -3.982 1.00 0.00 H new ATOM 0 HA THR A 9 23.710 -23.361 -2.493 1.00 0.00 H new ATOM 0 HB THR A 9 23.007 -20.890 -2.962 1.00 0.00 H new ATOM 0 HG1 THR A 9 24.858 -19.453 -2.902 1.00 0.00 H new ATOM 0 HG21 THR A 9 23.953 -20.158 -0.804 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.320 -21.819 -0.714 1.00 0.00 H new ATOM 0 HG23 THR A 9 25.074 -21.540 -0.831 1.00 0.00 H new ATOM 96 N GLY A 10 22.228 -22.651 -4.603 1.00 0.00 N ATOM 97 CA GLY A 10 21.515 -22.749 -5.863 1.00 0.00 C ATOM 98 C GLY A 10 20.901 -21.430 -6.287 1.00 0.00 C ATOM 99 O GLY A 10 21.382 -20.363 -5.904 1.00 0.00 O ATOM 0 H GLY A 10 21.639 -22.472 -3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.200 -23.093 -6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.730 -23.500 -5.775 1.00 0.00 H new ATOM 103 N ASP A 11 19.837 -21.501 -7.080 1.00 0.00 N ATOM 104 CA ASP A 11 19.157 -20.302 -7.556 1.00 0.00 C ATOM 105 C ASP A 11 17.724 -20.620 -7.971 1.00 0.00 C ATOM 106 O ASP A 11 17.458 -21.655 -8.581 1.00 0.00 O ATOM 107 CB ASP A 11 19.919 -19.692 -8.734 1.00 0.00 C ATOM 108 CG ASP A 11 20.994 -18.721 -8.288 1.00 0.00 C ATOM 109 OD1 ASP A 11 20.686 -17.520 -8.146 1.00 0.00 O ATOM 110 OD2 ASP A 11 22.144 -19.163 -8.082 1.00 0.00 O ATOM 0 H ASP A 11 19.427 -22.376 -7.407 1.00 0.00 H new ATOM 0 HA ASP A 11 19.129 -19.581 -6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 11 20.375 -20.490 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 11 19.217 -19.176 -9.389 1.00 0.00 H new ATOM 115 N ARG A 12 16.803 -19.722 -7.634 1.00 0.00 N ATOM 116 CA ARG A 12 15.397 -19.907 -7.969 1.00 0.00 C ATOM 117 C ARG A 12 14.826 -18.656 -8.630 1.00 0.00 C ATOM 118 O ARG A 12 14.384 -17.730 -7.951 1.00 0.00 O ATOM 119 CB ARG A 12 14.592 -20.246 -6.713 1.00 0.00 C ATOM 120 CG ARG A 12 15.111 -21.464 -5.966 1.00 0.00 C ATOM 121 CD ARG A 12 14.611 -22.756 -6.593 1.00 0.00 C ATOM 122 NE ARG A 12 15.269 -23.930 -6.026 1.00 0.00 N ATOM 123 CZ ARG A 12 15.000 -24.412 -4.818 1.00 0.00 C ATOM 124 NH1 ARG A 12 14.090 -23.824 -4.054 1.00 0.00 N ATOM 125 NH2 ARG A 12 15.642 -25.484 -4.372 1.00 0.00 N ATOM 0 H ARG A 12 17.006 -18.859 -7.129 1.00 0.00 H new ATOM 0 HA ARG A 12 15.323 -20.735 -8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.603 -19.387 -6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.553 -20.418 -6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 12 16.201 -21.456 -5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.793 -21.417 -4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.534 -22.837 -6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.784 -22.728 -7.669 1.00 0.00 H new ATOM 0 HE ARG A 12 15.974 -24.406 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.595 -23.000 -4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.885 -24.196 -3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.343 -25.939 -4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.435 -25.853 -3.444 1.00 0.00 H new ATOM 139 N ALA A 13 14.840 -18.637 -9.959 1.00 0.00 N ATOM 140 CA ALA A 13 14.322 -17.501 -10.712 1.00 0.00 C ATOM 141 C ALA A 13 13.064 -17.881 -11.484 1.00 0.00 C ATOM 142 O ALA A 13 13.136 -18.521 -12.532 1.00 0.00 O ATOM 143 CB ALA A 13 15.386 -16.969 -11.661 1.00 0.00 C ATOM 0 H ALA A 13 15.204 -19.395 -10.536 1.00 0.00 H new ATOM 0 HA ALA A 13 14.057 -16.717 -10.003 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.986 -16.121 -12.217 1.00 0.00 H new ATOM 0 HB2 ALA A 13 16.257 -16.650 -11.089 1.00 0.00 H new ATOM 0 HB3 ALA A 13 15.678 -17.755 -12.358 1.00 0.00 H new ATOM 149 N GLY A 14 11.909 -17.484 -10.957 1.00 0.00 N ATOM 150 CA GLY A 14 10.650 -17.794 -11.610 1.00 0.00 C ATOM 151 C GLY A 14 9.463 -17.642 -10.680 1.00 0.00 C ATOM 152 O GLY A 14 9.594 -17.123 -9.573 1.00 0.00 O ATOM 0 H GLY A 14 11.823 -16.954 -10.090 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.520 -17.138 -12.471 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.682 -18.815 -11.989 1.00 0.00 H new ATOM 156 N GLY A 15 8.297 -18.095 -11.133 1.00 0.00 N ATOM 157 CA GLY A 15 7.098 -17.996 -10.322 1.00 0.00 C ATOM 158 C GLY A 15 6.476 -16.614 -10.373 1.00 0.00 C ATOM 159 O GLY A 15 7.179 -15.615 -10.524 1.00 0.00 O ATOM 0 H GLY A 15 8.162 -18.528 -12.046 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.370 -18.732 -10.664 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.340 -18.244 -9.289 1.00 0.00 H new ATOM 163 N ARG A 16 5.154 -16.557 -10.248 1.00 0.00 N ATOM 164 CA ARG A 16 4.437 -15.288 -10.284 1.00 0.00 C ATOM 165 C ARG A 16 4.623 -14.522 -8.977 1.00 0.00 C ATOM 166 O ARG A 16 4.995 -15.099 -7.955 1.00 0.00 O ATOM 167 CB ARG A 16 2.948 -15.525 -10.541 1.00 0.00 C ATOM 168 CG ARG A 16 2.571 -15.490 -12.013 1.00 0.00 C ATOM 169 CD ARG A 16 2.189 -16.870 -12.524 1.00 0.00 C ATOM 170 NE ARG A 16 0.773 -16.953 -12.870 1.00 0.00 N ATOM 171 CZ ARG A 16 0.237 -16.346 -13.922 1.00 0.00 C ATOM 172 NH1 ARG A 16 0.995 -15.615 -14.728 1.00 0.00 N ATOM 173 NH2 ARG A 16 -1.061 -16.469 -14.172 1.00 0.00 N ATOM 0 H ARG A 16 4.558 -17.375 -10.121 1.00 0.00 H new ATOM 0 HA ARG A 16 4.848 -14.690 -11.098 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.666 -16.492 -10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.371 -14.769 -10.009 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.738 -14.803 -12.160 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.408 -15.104 -12.595 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.791 -17.112 -13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.420 -17.615 -11.763 1.00 0.00 H new ATOM 0 HE ARG A 16 0.162 -17.508 -12.271 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.993 -15.518 -14.541 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.580 -15.150 -15.535 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.648 -17.031 -13.555 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.471 -16.002 -14.981 1.00 0.00 H new ATOM 187 N SER A 17 4.362 -13.219 -9.018 1.00 0.00 N ATOM 188 CA SER A 17 4.505 -12.373 -7.839 1.00 0.00 C ATOM 189 C SER A 17 3.540 -11.193 -7.898 1.00 0.00 C ATOM 190 O SER A 17 3.713 -10.275 -8.699 1.00 0.00 O ATOM 191 CB SER A 17 5.943 -11.865 -7.721 1.00 0.00 C ATOM 192 OG SER A 17 6.622 -12.501 -6.652 1.00 0.00 O ATOM 0 H SER A 17 4.050 -12.726 -9.855 1.00 0.00 H new ATOM 0 HA SER A 17 4.266 -12.972 -6.961 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.475 -12.049 -8.655 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.939 -10.786 -7.563 1.00 0.00 H new ATOM 0 HG SER A 17 7.539 -12.161 -6.598 1.00 0.00 H new ATOM 198 N TRP A 18 2.523 -11.225 -7.043 1.00 0.00 N ATOM 199 CA TRP A 18 1.530 -10.159 -6.997 1.00 0.00 C ATOM 200 C TRP A 18 2.199 -8.797 -6.852 1.00 0.00 C ATOM 201 O TRP A 18 3.357 -8.705 -6.441 1.00 0.00 O ATOM 202 CB TRP A 18 0.558 -10.389 -5.838 1.00 0.00 C ATOM 203 CG TRP A 18 -0.326 -11.583 -6.033 1.00 0.00 C ATOM 204 CD1 TRP A 18 -0.007 -12.888 -5.787 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.674 -11.582 -6.516 1.00 0.00 C ATOM 206 NE1 TRP A 18 -1.076 -13.698 -6.088 1.00 0.00 N ATOM 207 CE2 TRP A 18 -2.111 -12.921 -6.537 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.555 -10.580 -6.932 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.388 -13.281 -6.958 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.822 -10.939 -7.350 1.00 0.00 C ATOM 211 CH2 TRP A 18 -4.230 -12.279 -7.360 1.00 0.00 C ATOM 0 H TRP A 18 2.365 -11.978 -6.373 1.00 0.00 H new ATOM 0 HA TRP A 18 0.976 -10.173 -7.935 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.126 -10.513 -4.916 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.063 -9.502 -5.713 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.945 -13.233 -5.411 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.095 -14.713 -5.992 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.251 -9.544 -6.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.703 -14.314 -6.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.510 -10.173 -7.675 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.228 -12.526 -7.691 1.00 0.00 H new ATOM 222 N CYS A 19 1.466 -7.743 -7.190 1.00 0.00 N ATOM 223 CA CYS A 19 1.990 -6.385 -7.098 1.00 0.00 C ATOM 224 C CYS A 19 0.872 -5.359 -7.250 1.00 0.00 C ATOM 225 O CYS A 19 -0.290 -5.716 -7.450 1.00 0.00 O ATOM 226 CB CYS A 19 3.059 -6.155 -8.167 1.00 0.00 C ATOM 227 SG CYS A 19 2.407 -6.033 -9.849 1.00 0.00 S ATOM 0 H CYS A 19 0.506 -7.802 -7.531 1.00 0.00 H new ATOM 0 HA CYS A 19 2.440 -6.262 -6.113 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.602 -5.239 -7.932 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.780 -6.972 -8.127 1.00 0.00 H new ATOM 0 HG CYS A 19 1.410 -6.855 -9.989 1.00 0.00 H new ATOM 233 N LEU A 20 1.230 -4.083 -7.154 1.00 0.00 N ATOM 234 CA LEU A 20 0.256 -3.004 -7.279 1.00 0.00 C ATOM 235 C LEU A 20 0.525 -2.171 -8.528 1.00 0.00 C ATOM 236 O LEU A 20 1.027 -1.050 -8.443 1.00 0.00 O ATOM 237 CB LEU A 20 0.293 -2.110 -6.038 1.00 0.00 C ATOM 238 CG LEU A 20 -0.140 -2.764 -4.726 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.013 -1.791 -3.568 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.577 -3.257 -4.825 1.00 0.00 C ATOM 0 H LEU A 20 2.187 -3.770 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.735 -3.450 -7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.309 -1.735 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.346 -1.246 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 20 0.506 -3.622 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.300 -2.275 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.056 -1.487 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.607 -0.913 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.869 -3.720 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.237 -2.415 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.656 -3.989 -5.628 1.00 0.00 H new ATOM 252 N ARG A 21 0.185 -2.725 -9.687 1.00 0.00 N ATOM 253 CA ARG A 21 0.389 -2.033 -10.954 1.00 0.00 C ATOM 254 C ARG A 21 -0.218 -0.633 -10.913 1.00 0.00 C ATOM 255 O ARG A 21 -1.438 -0.475 -10.922 1.00 0.00 O ATOM 256 CB ARG A 21 -0.228 -2.834 -12.102 1.00 0.00 C ATOM 257 CG ARG A 21 0.786 -3.302 -13.133 1.00 0.00 C ATOM 258 CD ARG A 21 0.110 -3.732 -14.425 1.00 0.00 C ATOM 259 NE ARG A 21 0.213 -2.709 -15.463 1.00 0.00 N ATOM 260 CZ ARG A 21 0.075 -2.961 -16.759 1.00 0.00 C ATOM 261 NH1 ARG A 21 -0.171 -4.196 -17.176 1.00 0.00 N ATOM 262 NH2 ARG A 21 0.181 -1.977 -17.643 1.00 0.00 N ATOM 0 H ARG A 21 -0.233 -3.651 -9.775 1.00 0.00 H new ATOM 0 HA ARG A 21 1.462 -1.941 -11.120 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.743 -3.702 -11.692 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.981 -2.221 -12.598 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.492 -2.498 -13.341 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.361 -4.135 -12.727 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.564 -4.657 -14.781 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.941 -3.947 -14.230 1.00 0.00 H new ATOM 0 HE ARG A 21 0.401 -1.748 -15.176 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.255 -4.955 -16.500 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.277 -4.386 -18.173 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.369 -1.026 -17.327 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.075 -2.172 -18.639 1.00 0.00 H new ATOM 276 N ARG A 22 0.644 0.378 -10.866 1.00 0.00 N ATOM 277 CA ARG A 22 0.193 1.764 -10.821 1.00 0.00 C ATOM 278 C ARG A 22 -0.615 2.113 -12.067 1.00 0.00 C ATOM 279 O ARG A 22 -0.082 2.150 -13.176 1.00 0.00 O ATOM 280 CB ARG A 22 1.390 2.708 -10.695 1.00 0.00 C ATOM 281 CG ARG A 22 1.000 4.162 -10.485 1.00 0.00 C ATOM 282 CD ARG A 22 1.472 4.675 -9.134 1.00 0.00 C ATOM 283 NE ARG A 22 1.601 6.130 -9.117 1.00 0.00 N ATOM 284 CZ ARG A 22 2.352 6.790 -8.242 1.00 0.00 C ATOM 285 NH1 ARG A 22 3.037 6.129 -7.319 1.00 0.00 N ATOM 286 NH2 ARG A 22 2.419 8.115 -8.290 1.00 0.00 N ATOM 0 H ARG A 22 1.658 0.263 -10.858 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.448 1.883 -9.948 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.012 2.383 -9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.999 2.631 -11.595 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.430 4.774 -11.278 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.083 4.263 -10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.768 4.364 -8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.433 4.223 -8.890 1.00 0.00 H new ATOM 0 HE ARG A 22 1.087 6.668 -9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.988 5.111 -7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.613 6.639 -6.649 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.894 8.627 -8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.996 8.621 -7.618 1.00 0.00 H new ATOM 300 N VAL A 23 -1.906 2.368 -11.877 1.00 0.00 N ATOM 301 CA VAL A 23 -2.788 2.715 -12.985 1.00 0.00 C ATOM 302 C VAL A 23 -2.367 4.030 -13.631 1.00 0.00 C ATOM 303 O VAL A 23 -2.163 5.033 -12.948 1.00 0.00 O ATOM 304 CB VAL A 23 -4.253 2.829 -12.521 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.177 3.020 -13.714 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.653 1.602 -11.717 1.00 0.00 C ATOM 0 H VAL A 23 -2.364 2.341 -10.966 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.708 1.912 -13.718 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.346 3.703 -11.877 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.207 3.099 -13.367 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.902 3.932 -14.245 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.084 2.167 -14.386 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.690 1.699 -11.397 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.546 0.711 -12.335 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.010 1.515 -10.841 1.00 0.00 H new ATOM 316 N GLY A 24 -2.239 4.018 -14.955 1.00 0.00 N ATOM 317 CA GLY A 24 -1.843 5.216 -15.673 1.00 0.00 C ATOM 318 C GLY A 24 -0.358 5.246 -15.976 1.00 0.00 C ATOM 319 O GLY A 24 0.059 5.759 -17.014 1.00 0.00 O ATOM 0 H GLY A 24 -2.402 3.200 -15.543 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.402 5.278 -16.606 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.108 6.094 -15.083 1.00 0.00 H new ATOM 323 N MET A 25 0.441 4.697 -15.067 1.00 0.00 N ATOM 324 CA MET A 25 1.888 4.663 -15.243 1.00 0.00 C ATOM 325 C MET A 25 2.377 3.234 -15.455 1.00 0.00 C ATOM 326 O MET A 25 1.732 2.277 -15.028 1.00 0.00 O ATOM 327 CB MET A 25 2.585 5.279 -14.028 1.00 0.00 C ATOM 328 CG MET A 25 2.799 6.779 -14.146 1.00 0.00 C ATOM 329 SD MET A 25 2.682 7.624 -12.557 1.00 0.00 S ATOM 330 CE MET A 25 3.906 6.726 -11.605 1.00 0.00 C ATOM 0 H MET A 25 0.111 4.270 -14.202 1.00 0.00 H new ATOM 0 HA MET A 25 2.135 5.247 -16.130 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.992 5.074 -13.137 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.550 4.792 -13.888 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.779 6.969 -14.583 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.059 7.195 -14.830 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.080 7.240 -10.660 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.545 5.716 -11.408 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.838 6.675 -12.167 1.00 0.00 H new ATOM 340 N SER A 26 3.521 3.097 -16.117 1.00 0.00 N ATOM 341 CA SER A 26 4.095 1.784 -16.389 1.00 0.00 C ATOM 342 C SER A 26 5.263 1.496 -15.451 1.00 0.00 C ATOM 343 O SER A 26 6.021 0.549 -15.659 1.00 0.00 O ATOM 344 CB SER A 26 4.561 1.699 -17.844 1.00 0.00 C ATOM 345 OG SER A 26 3.458 1.694 -18.734 1.00 0.00 O ATOM 0 H SER A 26 4.069 3.879 -16.475 1.00 0.00 H new ATOM 0 HA SER A 26 3.322 1.035 -16.218 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.211 2.544 -18.071 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.152 0.794 -17.987 1.00 0.00 H new ATOM 0 HG SER A 26 3.783 1.641 -19.657 1.00 0.00 H new ATOM 351 N ALA A 27 5.401 2.321 -14.418 1.00 0.00 N ATOM 352 CA ALA A 27 6.475 2.155 -13.447 1.00 0.00 C ATOM 353 C ALA A 27 5.944 2.252 -12.020 1.00 0.00 C ATOM 354 O ALA A 27 4.736 2.329 -11.801 1.00 0.00 O ATOM 355 CB ALA A 27 7.562 3.194 -13.679 1.00 0.00 C ATOM 0 H ALA A 27 4.783 3.111 -14.232 1.00 0.00 H new ATOM 0 HA ALA A 27 6.903 1.162 -13.582 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.358 3.058 -12.946 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.969 3.076 -14.683 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.139 4.193 -13.574 1.00 0.00 H new ATOM 361 N GLY A 28 6.856 2.246 -11.053 1.00 0.00 N ATOM 362 CA GLY A 28 6.459 2.333 -9.659 1.00 0.00 C ATOM 363 C GLY A 28 5.591 1.166 -9.230 1.00 0.00 C ATOM 364 O GLY A 28 4.675 1.330 -8.424 1.00 0.00 O ATOM 0 H GLY A 28 7.862 2.183 -11.209 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.350 2.369 -9.032 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.917 3.264 -9.496 1.00 0.00 H new ATOM 368 N TRP A 29 5.879 -0.013 -9.770 1.00 0.00 N ATOM 369 CA TRP A 29 5.116 -1.211 -9.438 1.00 0.00 C ATOM 370 C TRP A 29 5.565 -1.790 -8.101 1.00 0.00 C ATOM 371 O TRP A 29 6.678 -2.302 -7.978 1.00 0.00 O ATOM 372 CB TRP A 29 5.271 -2.260 -10.541 1.00 0.00 C ATOM 373 CG TRP A 29 4.654 -1.849 -11.843 1.00 0.00 C ATOM 374 CD1 TRP A 29 4.083 -0.644 -12.135 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.543 -2.645 -13.028 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.624 -0.642 -13.430 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.895 -1.858 -14.000 1.00 0.00 C ATOM 378 CE3 TRP A 29 4.930 -3.946 -13.363 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.626 -2.331 -15.281 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.662 -4.413 -14.635 1.00 0.00 C ATOM 381 CH2 TRP A 29 4.016 -3.607 -15.582 1.00 0.00 C ATOM 0 H TRP A 29 6.634 -0.165 -10.439 1.00 0.00 H new ATOM 0 HA TRP A 29 4.065 -0.932 -9.356 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.331 -2.459 -10.697 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.816 -3.194 -10.211 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.004 0.186 -11.449 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.157 0.138 -13.892 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.429 -4.574 -12.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.127 -1.712 -16.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 4.955 -5.417 -14.904 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.822 -4.001 -16.569 1.00 0.00 H new ATOM 392 N LEU A 30 4.693 -1.706 -7.103 1.00 0.00 N ATOM 393 CA LEU A 30 5.001 -2.223 -5.773 1.00 0.00 C ATOM 394 C LEU A 30 4.905 -3.745 -5.745 1.00 0.00 C ATOM 395 O LEU A 30 3.818 -4.312 -5.861 1.00 0.00 O ATOM 396 CB LEU A 30 4.048 -1.621 -4.738 1.00 0.00 C ATOM 397 CG LEU A 30 3.826 -0.111 -4.828 1.00 0.00 C ATOM 398 CD1 LEU A 30 2.716 0.322 -3.882 1.00 0.00 C ATOM 399 CD2 LEU A 30 5.114 0.637 -4.520 1.00 0.00 C ATOM 0 H LEU A 30 3.768 -1.285 -7.188 1.00 0.00 H new ATOM 0 HA LEU A 30 6.024 -1.938 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.082 -2.116 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.430 -1.853 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 30 3.523 0.133 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.572 1.400 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.791 -0.188 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.989 0.065 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.937 1.710 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.447 0.388 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.882 0.349 -5.238 1.00 0.00 H new ATOM 411 N LEU A 31 6.050 -4.401 -5.589 1.00 0.00 N ATOM 412 CA LEU A 31 6.096 -5.858 -5.543 1.00 0.00 C ATOM 413 C LEU A 31 5.456 -6.383 -4.262 1.00 0.00 C ATOM 414 O LEU A 31 5.598 -5.785 -3.194 1.00 0.00 O ATOM 415 CB LEU A 31 7.542 -6.346 -5.641 1.00 0.00 C ATOM 416 CG LEU A 31 7.755 -7.852 -5.487 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.443 -8.571 -6.791 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.179 -8.147 -5.041 1.00 0.00 C ATOM 0 H LEU A 31 6.958 -3.947 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 31 5.531 -6.241 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.943 -6.040 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.129 -5.836 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 31 7.073 -8.219 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.600 -9.642 -6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.405 -8.387 -7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.100 -8.200 -7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.312 -9.224 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.879 -7.765 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.368 -7.664 -4.082 1.00 0.00 H new ATOM 430 N LEU A 32 4.753 -7.505 -4.374 1.00 0.00 N ATOM 431 CA LEU A 32 4.093 -8.112 -3.223 1.00 0.00 C ATOM 432 C LEU A 32 4.551 -9.555 -3.032 1.00 0.00 C ATOM 433 O LEU A 32 3.777 -10.492 -3.222 1.00 0.00 O ATOM 434 CB LEU A 32 2.574 -8.067 -3.399 1.00 0.00 C ATOM 435 CG LEU A 32 1.929 -6.684 -3.303 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.523 -6.710 -3.882 1.00 0.00 C ATOM 437 CD2 LEU A 32 1.904 -6.207 -1.858 1.00 0.00 C ATOM 0 H LEU A 32 4.625 -8.013 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 32 4.367 -7.542 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.328 -8.494 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.121 -8.710 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 32 2.527 -5.983 -3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.079 -5.717 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.566 -7.008 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.086 -7.423 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.442 -5.221 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.329 -6.908 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.923 -6.149 -1.476 1.00 0.00 H new ATOM 449 N GLU A 33 5.814 -9.724 -2.653 1.00 0.00 N ATOM 450 CA GLU A 33 6.374 -11.052 -2.434 1.00 0.00 C ATOM 451 C GLU A 33 5.637 -11.776 -1.311 1.00 0.00 C ATOM 452 O GLU A 33 5.303 -11.178 -0.288 1.00 0.00 O ATOM 453 CB GLU A 33 7.864 -10.954 -2.100 1.00 0.00 C ATOM 454 CG GLU A 33 8.726 -11.945 -2.863 1.00 0.00 C ATOM 455 CD GLU A 33 8.984 -13.218 -2.079 1.00 0.00 C ATOM 456 OE1 GLU A 33 9.866 -13.202 -1.196 1.00 0.00 O ATOM 457 OE2 GLU A 33 8.303 -14.229 -2.350 1.00 0.00 O ATOM 0 H GLU A 33 6.468 -8.958 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 33 6.252 -11.624 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.210 -9.943 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.999 -11.116 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.238 -12.195 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.678 -11.477 -3.112 1.00 0.00 H new ATOM 464 N ASP A 34 5.385 -13.065 -1.511 1.00 0.00 N ATOM 465 CA ASP A 34 4.688 -13.871 -0.516 1.00 0.00 C ATOM 466 C ASP A 34 5.472 -13.918 0.792 1.00 0.00 C ATOM 467 O ASP A 34 6.651 -14.266 0.809 1.00 0.00 O ATOM 468 CB ASP A 34 4.465 -15.289 -1.042 1.00 0.00 C ATOM 469 CG ASP A 34 4.116 -16.269 0.061 1.00 0.00 C ATOM 470 OD1 ASP A 34 5.037 -16.694 0.791 1.00 0.00 O ATOM 471 OD2 ASP A 34 2.922 -16.609 0.196 1.00 0.00 O ATOM 0 H ASP A 34 5.653 -13.574 -2.353 1.00 0.00 H new ATOM 0 HA ASP A 34 3.721 -13.407 -0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.663 -15.277 -1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.365 -15.629 -1.554 1.00 0.00 H new ATOM 476 N GLY A 35 4.807 -13.563 1.888 1.00 0.00 N ATOM 477 CA GLY A 35 5.457 -13.570 3.185 1.00 0.00 C ATOM 478 C GLY A 35 6.311 -12.338 3.413 1.00 0.00 C ATOM 479 O GLY A 35 7.154 -12.315 4.311 1.00 0.00 O ATOM 0 H GLY A 35 3.830 -13.271 1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.700 -13.633 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.079 -14.461 3.271 1.00 0.00 H new ATOM 483 N CYS A 36 6.095 -11.312 2.597 1.00 0.00 N ATOM 484 CA CYS A 36 6.853 -10.071 2.712 1.00 0.00 C ATOM 485 C CYS A 36 5.920 -8.879 2.895 1.00 0.00 C ATOM 486 O CYS A 36 5.125 -8.559 2.011 1.00 0.00 O ATOM 487 CB CYS A 36 7.726 -9.866 1.473 1.00 0.00 C ATOM 488 SG CYS A 36 9.240 -10.853 1.465 1.00 0.00 S ATOM 0 H CYS A 36 5.402 -11.315 1.849 1.00 0.00 H new ATOM 0 HA CYS A 36 7.494 -10.145 3.591 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.142 -10.110 0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.992 -8.812 1.400 1.00 0.00 H new ATOM 0 HG CYS A 36 9.909 -10.612 0.377 1.00 0.00 H new ATOM 494 N GLU A 37 6.021 -8.226 4.049 1.00 0.00 N ATOM 495 CA GLU A 37 5.184 -7.070 4.348 1.00 0.00 C ATOM 496 C GLU A 37 5.464 -5.929 3.375 1.00 0.00 C ATOM 497 O GLU A 37 6.601 -5.726 2.949 1.00 0.00 O ATOM 498 CB GLU A 37 5.420 -6.600 5.785 1.00 0.00 C ATOM 499 CG GLU A 37 4.402 -7.137 6.776 1.00 0.00 C ATOM 500 CD GLU A 37 4.917 -8.335 7.551 1.00 0.00 C ATOM 501 OE1 GLU A 37 5.838 -8.155 8.376 1.00 0.00 O ATOM 502 OE2 GLU A 37 4.402 -9.451 7.332 1.00 0.00 O ATOM 0 H GLU A 37 6.674 -8.478 4.791 1.00 0.00 H new ATOM 0 HA GLU A 37 4.142 -7.370 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.417 -6.907 6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.399 -5.510 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.129 -6.347 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.494 -7.417 6.242 1.00 0.00 H new ATOM 509 N VAL A 38 4.418 -5.186 3.026 1.00 0.00 N ATOM 510 CA VAL A 38 4.550 -4.065 2.104 1.00 0.00 C ATOM 511 C VAL A 38 3.894 -2.809 2.668 1.00 0.00 C ATOM 512 O VAL A 38 2.732 -2.519 2.380 1.00 0.00 O ATOM 513 CB VAL A 38 3.923 -4.387 0.734 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.056 -3.200 -0.207 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.566 -5.629 0.134 1.00 0.00 C ATOM 0 H VAL A 38 3.470 -5.341 3.368 1.00 0.00 H new ATOM 0 HA VAL A 38 5.617 -3.887 1.974 1.00 0.00 H new ATOM 0 HB VAL A 38 2.861 -4.588 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.607 -3.447 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.545 -2.337 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.111 -2.964 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.112 -5.843 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.635 -5.458 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.413 -6.477 0.802 1.00 0.00 H new ATOM 525 N THR A 39 4.646 -2.065 3.473 1.00 0.00 N ATOM 526 CA THR A 39 4.138 -0.841 4.078 1.00 0.00 C ATOM 527 C THR A 39 4.366 0.359 3.165 1.00 0.00 C ATOM 528 O THR A 39 5.461 0.552 2.638 1.00 0.00 O ATOM 529 CB THR A 39 4.804 -0.569 5.440 1.00 0.00 C ATOM 530 OG1 THR A 39 6.225 -0.485 5.282 1.00 0.00 O ATOM 531 CG2 THR A 39 4.463 -1.666 6.437 1.00 0.00 C ATOM 0 H THR A 39 5.610 -2.289 3.721 1.00 0.00 H new ATOM 0 HA THR A 39 3.068 -0.983 4.227 1.00 0.00 H new ATOM 0 HB THR A 39 4.425 0.379 5.823 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.664 -0.786 6.105 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.944 -1.453 7.391 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.383 -1.708 6.577 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.817 -2.625 6.058 1.00 0.00 H new ATOM 539 N VAL A 40 3.324 1.164 2.983 1.00 0.00 N ATOM 540 CA VAL A 40 3.411 2.347 2.135 1.00 0.00 C ATOM 541 C VAL A 40 3.244 3.623 2.953 1.00 0.00 C ATOM 542 O VAL A 40 2.512 3.648 3.941 1.00 0.00 O ATOM 543 CB VAL A 40 2.345 2.320 1.023 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.567 3.462 0.043 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.359 0.980 0.304 1.00 0.00 C ATOM 0 H VAL A 40 2.410 1.018 3.411 1.00 0.00 H new ATOM 0 HA VAL A 40 4.401 2.338 1.679 1.00 0.00 H new ATOM 0 HB VAL A 40 1.364 2.451 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.805 3.427 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.502 4.413 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.553 3.366 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.600 0.979 -0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.340 0.817 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.147 0.183 1.016 1.00 0.00 H new ATOM 555 N GLY A 41 3.930 4.682 2.533 1.00 0.00 N ATOM 556 CA GLY A 41 3.844 5.948 3.238 1.00 0.00 C ATOM 557 C GLY A 41 4.873 6.951 2.755 1.00 0.00 C ATOM 558 O GLY A 41 5.484 6.766 1.702 1.00 0.00 O ATOM 0 H GLY A 41 4.543 4.686 1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.845 6.365 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.982 5.776 4.306 1.00 0.00 H new ATOM 562 N ARG A 42 5.064 8.017 3.525 1.00 0.00 N ATOM 563 CA ARG A 42 6.024 9.055 3.168 1.00 0.00 C ATOM 564 C ARG A 42 7.241 9.009 4.088 1.00 0.00 C ATOM 565 O ARG A 42 7.911 10.019 4.299 1.00 0.00 O ATOM 566 CB ARG A 42 5.367 10.435 3.242 1.00 0.00 C ATOM 567 CG ARG A 42 4.899 10.812 4.638 1.00 0.00 C ATOM 568 CD ARG A 42 4.811 12.320 4.808 1.00 0.00 C ATOM 569 NE ARG A 42 4.655 12.706 6.208 1.00 0.00 N ATOM 570 CZ ARG A 42 4.741 13.959 6.639 1.00 0.00 C ATOM 571 NH1 ARG A 42 4.981 14.943 5.784 1.00 0.00 N ATOM 572 NH2 ARG A 42 4.586 14.230 7.929 1.00 0.00 N ATOM 0 H ARG A 42 4.567 8.185 4.400 1.00 0.00 H new ATOM 0 HA ARG A 42 6.355 8.873 2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.076 11.185 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.515 10.459 2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.923 10.366 4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.587 10.401 5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.710 12.783 4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.968 12.701 4.231 1.00 0.00 H new ATOM 0 HE ARG A 42 4.470 11.973 6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.100 14.739 4.792 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.046 15.904 6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.401 13.476 8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.652 15.193 8.259 1.00 0.00 H new ATOM 586 N GLY A 43 7.521 7.829 4.633 1.00 0.00 N ATOM 587 CA GLY A 43 8.656 7.673 5.523 1.00 0.00 C ATOM 588 C GLY A 43 9.743 6.799 4.930 1.00 0.00 C ATOM 589 O GLY A 43 9.556 6.194 3.874 1.00 0.00 O ATOM 0 H GLY A 43 6.982 6.978 4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.070 8.655 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.319 7.239 6.464 1.00 0.00 H new ATOM 593 N PHE A 44 10.883 6.732 5.610 1.00 0.00 N ATOM 594 CA PHE A 44 12.005 5.927 5.143 1.00 0.00 C ATOM 595 C PHE A 44 11.919 4.504 5.689 1.00 0.00 C ATOM 596 O PHE A 44 12.420 3.562 5.077 1.00 0.00 O ATOM 597 CB PHE A 44 13.330 6.567 5.563 1.00 0.00 C ATOM 598 CG PHE A 44 13.394 8.043 5.293 1.00 0.00 C ATOM 599 CD1 PHE A 44 13.679 8.517 4.022 1.00 0.00 C ATOM 600 CD2 PHE A 44 13.169 8.957 6.309 1.00 0.00 C ATOM 601 CE1 PHE A 44 13.740 9.874 3.771 1.00 0.00 C ATOM 602 CE2 PHE A 44 13.228 10.317 6.064 1.00 0.00 C ATOM 603 CZ PHE A 44 13.512 10.775 4.793 1.00 0.00 C ATOM 0 H PHE A 44 11.054 7.226 6.486 1.00 0.00 H new ATOM 0 HA PHE A 44 11.959 5.883 4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 44 13.487 6.393 6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 44 14.146 6.073 5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.855 7.817 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.945 8.604 7.305 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.966 10.230 2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.052 11.019 6.865 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.556 11.836 4.598 1.00 0.00 H new ATOM 613 N GLY A 45 11.280 4.359 6.846 1.00 0.00 N ATOM 614 CA GLY A 45 11.140 3.049 7.456 1.00 0.00 C ATOM 615 C GLY A 45 10.293 2.109 6.622 1.00 0.00 C ATOM 616 O GLY A 45 10.617 0.929 6.483 1.00 0.00 O ATOM 0 H GLY A 45 10.857 5.124 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.128 2.611 7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.692 3.157 8.444 1.00 0.00 H new ATOM 620 N VAL A 46 9.204 2.630 6.067 1.00 0.00 N ATOM 621 CA VAL A 46 8.307 1.829 5.243 1.00 0.00 C ATOM 622 C VAL A 46 9.052 1.201 4.071 1.00 0.00 C ATOM 623 O VAL A 46 10.134 1.653 3.694 1.00 0.00 O ATOM 624 CB VAL A 46 7.138 2.673 4.702 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.136 2.968 5.808 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.654 3.962 4.081 1.00 0.00 C ATOM 0 H VAL A 46 8.921 3.604 6.173 1.00 0.00 H new ATOM 0 HA VAL A 46 7.910 1.040 5.882 1.00 0.00 H new ATOM 0 HB VAL A 46 6.629 2.102 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.317 3.565 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.743 2.031 6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.629 3.520 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.814 4.546 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.189 4.540 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.329 3.725 3.259 1.00 0.00 H new ATOM 636 N THR A 47 8.466 0.156 3.495 1.00 0.00 N ATOM 637 CA THR A 47 9.073 -0.535 2.365 1.00 0.00 C ATOM 638 C THR A 47 9.037 0.328 1.109 1.00 0.00 C ATOM 639 O THR A 47 9.979 0.326 0.316 1.00 0.00 O ATOM 640 CB THR A 47 8.364 -1.872 2.077 1.00 0.00 C ATOM 641 OG1 THR A 47 8.181 -2.602 3.295 1.00 0.00 O ATOM 642 CG2 THR A 47 9.168 -2.709 1.093 1.00 0.00 C ATOM 0 H THR A 47 7.570 -0.230 3.793 1.00 0.00 H new ATOM 0 HA THR A 47 10.110 -0.734 2.636 1.00 0.00 H new ATOM 0 HB THR A 47 7.391 -1.655 1.635 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.728 -3.450 3.103 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.648 -3.648 0.905 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.280 -2.162 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.153 -2.917 1.512 1.00 0.00 H new ATOM 650 N TYR A 48 7.946 1.064 0.934 1.00 0.00 N ATOM 651 CA TYR A 48 7.787 1.931 -0.227 1.00 0.00 C ATOM 652 C TYR A 48 7.452 3.357 0.199 1.00 0.00 C ATOM 653 O TYR A 48 6.404 3.608 0.794 1.00 0.00 O ATOM 654 CB TYR A 48 6.690 1.391 -1.146 1.00 0.00 C ATOM 655 CG TYR A 48 7.034 0.064 -1.785 1.00 0.00 C ATOM 656 CD1 TYR A 48 8.196 -0.089 -2.532 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.197 -1.036 -1.642 1.00 0.00 C ATOM 658 CE1 TYR A 48 8.514 -1.299 -3.118 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.508 -2.250 -2.223 1.00 0.00 C ATOM 660 CZ TYR A 48 7.667 -2.376 -2.960 1.00 0.00 C ATOM 661 OH TYR A 48 7.980 -3.584 -3.541 1.00 0.00 O ATOM 0 H TYR A 48 7.158 1.078 1.582 1.00 0.00 H new ATOM 0 HA TYR A 48 8.732 1.946 -0.769 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.769 1.281 -0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.492 2.122 -1.930 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.862 0.752 -2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.288 -0.940 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.420 -1.401 -3.696 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.847 -3.096 -2.101 1.00 0.00 H new ATOM 0 HH TYR A 48 7.265 -4.229 -3.360 1.00 0.00 H new ATOM 671 N GLN A 49 8.351 4.287 -0.110 1.00 0.00 N ATOM 672 CA GLN A 49 8.151 5.688 0.241 1.00 0.00 C ATOM 673 C GLN A 49 7.575 6.467 -0.937 1.00 0.00 C ATOM 674 O GLN A 49 7.864 6.166 -2.095 1.00 0.00 O ATOM 675 CB GLN A 49 9.473 6.317 0.687 1.00 0.00 C ATOM 676 CG GLN A 49 9.362 7.797 1.014 1.00 0.00 C ATOM 677 CD GLN A 49 10.625 8.352 1.642 1.00 0.00 C ATOM 678 OE1 GLN A 49 10.627 8.759 2.804 1.00 0.00 O ATOM 679 NE2 GLN A 49 11.709 8.371 0.875 1.00 0.00 N ATOM 0 H GLN A 49 9.224 4.095 -0.602 1.00 0.00 H new ATOM 0 HA GLN A 49 7.439 5.733 1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.841 5.786 1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.214 6.182 -0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.141 8.351 0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.524 7.953 1.693 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.662 8.024 -0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.588 8.733 1.244 1.00 0.00 H new ATOM 688 N LEU A 50 6.759 7.470 -0.633 1.00 0.00 N ATOM 689 CA LEU A 50 6.141 8.294 -1.666 1.00 0.00 C ATOM 690 C LEU A 50 6.158 9.767 -1.272 1.00 0.00 C ATOM 691 O LEU A 50 5.834 10.120 -0.138 1.00 0.00 O ATOM 692 CB LEU A 50 4.702 7.838 -1.917 1.00 0.00 C ATOM 693 CG LEU A 50 4.499 6.335 -2.113 1.00 0.00 C ATOM 694 CD1 LEU A 50 3.017 5.996 -2.134 1.00 0.00 C ATOM 695 CD2 LEU A 50 5.174 5.868 -3.394 1.00 0.00 C ATOM 0 H LEU A 50 6.510 7.732 0.321 1.00 0.00 H new ATOM 0 HA LEU A 50 6.719 8.176 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.088 8.161 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.328 8.353 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 50 4.958 5.813 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.891 4.922 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.562 6.294 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.534 6.528 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.019 4.796 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.745 6.397 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.243 6.076 -3.339 1.00 0.00 H new ATOM 707 N VAL A 51 6.537 10.623 -2.216 1.00 0.00 N ATOM 708 CA VAL A 51 6.594 12.058 -1.968 1.00 0.00 C ATOM 709 C VAL A 51 6.029 12.842 -3.147 1.00 0.00 C ATOM 710 O VAL A 51 6.276 12.505 -4.305 1.00 0.00 O ATOM 711 CB VAL A 51 8.036 12.525 -1.699 1.00 0.00 C ATOM 712 CG1 VAL A 51 8.069 14.017 -1.405 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.646 11.734 -0.551 1.00 0.00 C ATOM 0 H VAL A 51 6.809 10.347 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 51 5.987 12.250 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 51 8.631 12.342 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.097 14.328 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.674 14.565 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.460 14.228 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.665 12.077 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.051 11.883 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.659 10.674 -0.806 1.00 0.00 H new ATOM 723 N SER A 52 5.270 13.891 -2.845 1.00 0.00 N ATOM 724 CA SER A 52 4.667 14.722 -3.881 1.00 0.00 C ATOM 725 C SER A 52 5.011 16.193 -3.665 1.00 0.00 C ATOM 726 O SER A 52 5.622 16.560 -2.661 1.00 0.00 O ATOM 727 CB SER A 52 3.149 14.538 -3.892 1.00 0.00 C ATOM 728 OG SER A 52 2.543 15.230 -2.814 1.00 0.00 O ATOM 0 H SER A 52 5.058 14.185 -1.892 1.00 0.00 H new ATOM 0 HA SER A 52 5.071 14.410 -4.844 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.742 14.901 -4.836 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.908 13.477 -3.828 1.00 0.00 H new ATOM 0 HG SER A 52 2.317 16.141 -3.096 1.00 0.00 H new ATOM 734 N LYS A 53 4.614 17.032 -4.616 1.00 0.00 N ATOM 735 CA LYS A 53 4.878 18.463 -4.533 1.00 0.00 C ATOM 736 C LYS A 53 3.598 19.235 -4.229 1.00 0.00 C ATOM 737 O LYS A 53 3.637 20.308 -3.625 1.00 0.00 O ATOM 738 CB LYS A 53 5.491 18.967 -5.841 1.00 0.00 C ATOM 739 CG LYS A 53 6.872 18.401 -6.123 1.00 0.00 C ATOM 740 CD LYS A 53 7.875 18.826 -5.064 1.00 0.00 C ATOM 741 CE LYS A 53 8.058 17.749 -4.005 1.00 0.00 C ATOM 742 NZ LYS A 53 7.842 18.281 -2.631 1.00 0.00 N ATOM 0 H LYS A 53 4.108 16.745 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 53 5.585 18.630 -3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.827 18.710 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.553 20.055 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.820 17.313 -6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.211 18.738 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.834 19.041 -5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.538 19.749 -4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.360 16.933 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.063 17.333 -4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.648 18.020 -2.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.759 19.317 -2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.969 17.878 -2.236 1.00 0.00 H new ATOM 756 N ILE A 54 2.465 18.683 -4.649 1.00 0.00 N ATOM 757 CA ILE A 54 1.174 19.319 -4.419 1.00 0.00 C ATOM 758 C ILE A 54 0.711 19.118 -2.980 1.00 0.00 C ATOM 759 O ILE A 54 0.588 20.077 -2.217 1.00 0.00 O ATOM 760 CB ILE A 54 0.097 18.770 -5.374 1.00 0.00 C ATOM 761 CG1 ILE A 54 0.516 18.989 -6.829 1.00 0.00 C ATOM 762 CG2 ILE A 54 -1.244 19.433 -5.098 1.00 0.00 C ATOM 763 CD1 ILE A 54 1.256 17.813 -7.429 1.00 0.00 C ATOM 0 H ILE A 54 2.415 17.796 -5.151 1.00 0.00 H new ATOM 0 HA ILE A 54 1.309 20.384 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.008 17.699 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.372 19.193 -7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.149 19.874 -6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.994 19.034 -5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.545 19.231 -4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.155 20.509 -5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.522 18.039 -8.462 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.162 17.622 -6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.617 16.930 -7.404 1.00 0.00 H new ATOM 775 N CYS A 55 0.457 17.866 -2.616 1.00 0.00 N ATOM 776 CA CYS A 55 0.008 17.539 -1.267 1.00 0.00 C ATOM 777 C CYS A 55 0.710 16.287 -0.749 1.00 0.00 C ATOM 778 O CYS A 55 0.127 15.206 -0.671 1.00 0.00 O ATOM 779 CB CYS A 55 -1.507 17.333 -1.247 1.00 0.00 C ATOM 780 SG CYS A 55 -2.450 18.828 -0.863 1.00 0.00 S ATOM 0 H CYS A 55 0.554 17.061 -3.235 1.00 0.00 H new ATOM 0 HA CYS A 55 0.263 18.374 -0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.825 16.956 -2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.749 16.565 -0.512 1.00 0.00 H new ATOM 0 HG CYS A 55 -1.752 19.876 -1.186 1.00 0.00 H new ATOM 786 N PRO A 56 1.993 16.435 -0.388 1.00 0.00 N ATOM 787 CA PRO A 56 2.803 15.327 0.127 1.00 0.00 C ATOM 788 C PRO A 56 2.361 14.883 1.517 1.00 0.00 C ATOM 789 O PRO A 56 2.733 13.806 1.984 1.00 0.00 O ATOM 790 CB PRO A 56 4.216 15.914 0.177 1.00 0.00 C ATOM 791 CG PRO A 56 4.012 17.384 0.306 1.00 0.00 C ATOM 792 CD PRO A 56 2.753 17.695 -0.455 1.00 0.00 C ATOM 0 HA PRO A 56 2.718 14.436 -0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.780 15.517 1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.778 15.670 -0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.918 17.675 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.861 17.933 -0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.203 18.520 -0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.966 17.981 -1.485 1.00 0.00 H new ATOM 800 N LEU A 57 1.565 15.720 2.175 1.00 0.00 N ATOM 801 CA LEU A 57 1.071 15.413 3.513 1.00 0.00 C ATOM 802 C LEU A 57 -0.096 14.433 3.451 1.00 0.00 C ATOM 803 O LEU A 57 -0.386 13.736 4.423 1.00 0.00 O ATOM 804 CB LEU A 57 0.638 16.696 4.224 1.00 0.00 C ATOM 805 CG LEU A 57 1.721 17.760 4.407 1.00 0.00 C ATOM 806 CD1 LEU A 57 1.094 19.133 4.592 1.00 0.00 C ATOM 807 CD2 LEU A 57 2.613 17.416 5.590 1.00 0.00 C ATOM 0 H LEU A 57 1.248 16.616 1.804 1.00 0.00 H new ATOM 0 HA LEU A 57 1.881 14.949 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.186 17.138 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.249 16.429 5.207 1.00 0.00 H new ATOM 0 HG LEU A 57 2.337 17.782 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.880 19.877 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.498 19.382 3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.454 19.125 5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.378 18.184 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.011 17.365 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.091 16.452 5.417 1.00 0.00 H new ATOM 819 N MET A 58 -0.761 14.385 2.301 1.00 0.00 N ATOM 820 CA MET A 58 -1.895 13.488 2.112 1.00 0.00 C ATOM 821 C MET A 58 -1.527 12.058 2.497 1.00 0.00 C ATOM 822 O MET A 58 -2.350 11.320 3.039 1.00 0.00 O ATOM 823 CB MET A 58 -2.370 13.531 0.659 1.00 0.00 C ATOM 824 CG MET A 58 -3.557 12.623 0.380 1.00 0.00 C ATOM 825 SD MET A 58 -5.116 13.322 0.956 1.00 0.00 S ATOM 826 CE MET A 58 -5.217 14.801 -0.050 1.00 0.00 C ATOM 0 H MET A 58 -0.534 14.956 1.487 1.00 0.00 H new ATOM 0 HA MET A 58 -2.704 13.824 2.761 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.639 14.556 0.404 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.544 13.246 0.007 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.622 12.435 -0.692 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.394 11.660 0.864 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.210 14.872 -0.494 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.034 15.677 0.572 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.468 14.755 -0.841 1.00 0.00 H new ATOM 836 N ILE A 59 -0.287 11.674 2.212 1.00 0.00 N ATOM 837 CA ILE A 59 0.188 10.333 2.529 1.00 0.00 C ATOM 838 C ILE A 59 0.854 10.296 3.901 1.00 0.00 C ATOM 839 O ILE A 59 1.752 11.088 4.188 1.00 0.00 O ATOM 840 CB ILE A 59 1.187 9.825 1.472 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.580 9.933 0.072 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.590 8.389 1.772 1.00 0.00 C ATOM 843 CD1 ILE A 59 -0.716 9.168 -0.085 1.00 0.00 C ATOM 0 H ILE A 59 0.406 12.272 1.763 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.686 9.681 2.534 1.00 0.00 H new ATOM 0 HB ILE A 59 2.081 10.448 1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.403 10.984 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.301 9.564 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.296 8.044 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.058 8.340 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.705 7.753 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.089 9.289 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.541 8.111 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.453 9.552 0.620 1.00 0.00 H new ATOM 855 N SER A 60 0.409 9.370 4.744 1.00 0.00 N ATOM 856 CA SER A 60 0.960 9.230 6.087 1.00 0.00 C ATOM 857 C SER A 60 2.080 8.194 6.109 1.00 0.00 C ATOM 858 O SER A 60 2.251 7.428 5.161 1.00 0.00 O ATOM 859 CB SER A 60 -0.139 8.832 7.073 1.00 0.00 C ATOM 860 OG SER A 60 -0.867 7.711 6.600 1.00 0.00 O ATOM 0 H SER A 60 -0.332 8.705 4.521 1.00 0.00 H new ATOM 0 HA SER A 60 1.374 10.193 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.304 8.600 8.042 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.817 9.672 7.225 1.00 0.00 H new ATOM 0 HG SER A 60 -1.563 7.475 7.249 1.00 0.00 H new ATOM 866 N ARG A 61 2.840 8.178 7.199 1.00 0.00 N ATOM 867 CA ARG A 61 3.944 7.237 7.346 1.00 0.00 C ATOM 868 C ARG A 61 3.479 5.807 7.088 1.00 0.00 C ATOM 869 O ARG A 61 4.183 5.019 6.459 1.00 0.00 O ATOM 870 CB ARG A 61 4.549 7.343 8.747 1.00 0.00 C ATOM 871 CG ARG A 61 5.591 8.442 8.879 1.00 0.00 C ATOM 872 CD ARG A 61 6.323 8.359 10.209 1.00 0.00 C ATOM 873 NE ARG A 61 7.160 7.166 10.300 1.00 0.00 N ATOM 874 CZ ARG A 61 8.003 6.934 11.300 1.00 0.00 C ATOM 875 NH1 ARG A 61 8.121 7.809 12.289 1.00 0.00 N ATOM 876 NH2 ARG A 61 8.731 5.825 11.312 1.00 0.00 N ATOM 0 H ARG A 61 2.712 8.806 7.993 1.00 0.00 H new ATOM 0 HA ARG A 61 4.705 7.491 6.608 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.750 7.523 9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.005 6.388 9.010 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.309 8.364 8.062 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.108 9.415 8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.942 9.247 10.338 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.597 8.356 11.022 1.00 0.00 H new ATOM 0 HE ARG A 61 7.094 6.473 9.555 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.564 8.663 12.283 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.769 7.628 13.055 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.644 5.149 10.553 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.378 5.648 12.080 1.00 0.00 H new ATOM 890 N ASN A 62 2.288 5.480 7.579 1.00 0.00 N ATOM 891 CA ASN A 62 1.728 4.145 7.403 1.00 0.00 C ATOM 892 C ASN A 62 0.299 4.219 6.874 1.00 0.00 C ATOM 893 O ASN A 62 -0.636 3.730 7.509 1.00 0.00 O ATOM 894 CB ASN A 62 1.755 3.380 8.728 1.00 0.00 C ATOM 895 CG ASN A 62 3.166 3.113 9.213 1.00 0.00 C ATOM 896 OD1 ASN A 62 3.801 3.978 9.816 1.00 0.00 O ATOM 897 ND2 ASN A 62 3.664 1.910 8.951 1.00 0.00 N ATOM 0 H ASN A 62 1.692 6.121 8.102 1.00 0.00 H new ATOM 0 HA ASN A 62 2.339 3.615 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.216 3.950 9.484 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.230 2.433 8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.609 1.672 9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.102 1.224 8.448 1.00 0.00 H new ATOM 904 N HIS A 63 0.137 4.835 5.707 1.00 0.00 N ATOM 905 CA HIS A 63 -1.178 4.972 5.092 1.00 0.00 C ATOM 906 C HIS A 63 -1.879 3.620 5.001 1.00 0.00 C ATOM 907 O HIS A 63 -3.105 3.539 5.087 1.00 0.00 O ATOM 908 CB HIS A 63 -1.050 5.589 3.698 1.00 0.00 C ATOM 909 CG HIS A 63 -2.236 6.410 3.295 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.283 7.781 3.431 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.423 6.046 2.756 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.448 8.225 2.994 1.00 0.00 C ATOM 913 NE2 HIS A 63 -4.159 7.192 2.579 1.00 0.00 N ATOM 0 H HIS A 63 0.900 5.247 5.169 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.779 5.631 5.719 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.158 6.215 3.667 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.906 4.792 2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.734 5.041 2.511 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.765 9.257 2.979 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.101 7.238 2.190 1.00 0.00 H new ATOM 921 N CYS A 64 -1.095 2.563 4.826 1.00 0.00 N ATOM 922 CA CYS A 64 -1.641 1.215 4.721 1.00 0.00 C ATOM 923 C CYS A 64 -0.551 0.169 4.934 1.00 0.00 C ATOM 924 O CYS A 64 0.638 0.489 4.944 1.00 0.00 O ATOM 925 CB CYS A 64 -2.299 1.013 3.355 1.00 0.00 C ATOM 926 SG CYS A 64 -1.130 0.919 1.979 1.00 0.00 S ATOM 0 H CYS A 64 -0.079 2.613 4.754 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.394 1.093 5.500 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.889 0.097 3.380 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.993 1.834 3.173 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.781 0.745 0.867 1.00 0.00 H new ATOM 932 N VAL A 65 -0.965 -1.083 5.105 1.00 0.00 N ATOM 933 CA VAL A 65 -0.024 -2.176 5.318 1.00 0.00 C ATOM 934 C VAL A 65 -0.554 -3.480 4.731 1.00 0.00 C ATOM 935 O VAL A 65 -1.510 -4.062 5.246 1.00 0.00 O ATOM 936 CB VAL A 65 0.267 -2.382 6.816 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.262 -3.516 7.016 1.00 0.00 C ATOM 938 CG2 VAL A 65 0.783 -1.094 7.440 1.00 0.00 C ATOM 0 H VAL A 65 -1.945 -1.365 5.100 1.00 0.00 H new ATOM 0 HA VAL A 65 0.900 -1.901 4.810 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.663 -2.654 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.455 -3.647 8.081 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.850 -4.438 6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.194 -3.276 6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.984 -1.258 8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.702 -0.790 6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.033 -0.310 7.330 1.00 0.00 H new ATOM 948 N LEU A 66 0.072 -3.934 3.651 1.00 0.00 N ATOM 949 CA LEU A 66 -0.336 -5.170 2.993 1.00 0.00 C ATOM 950 C LEU A 66 0.373 -6.373 3.606 1.00 0.00 C ATOM 951 O LEU A 66 1.517 -6.273 4.052 1.00 0.00 O ATOM 952 CB LEU A 66 -0.036 -5.097 1.495 1.00 0.00 C ATOM 953 CG LEU A 66 -1.031 -4.299 0.650 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.506 -2.895 0.392 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.310 -5.016 -0.663 1.00 0.00 C ATOM 0 H LEU A 66 0.864 -3.465 3.212 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.410 -5.291 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.954 -4.660 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.009 -6.113 1.104 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.967 -4.219 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.227 -2.342 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.358 -2.382 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.443 -2.954 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.020 -4.434 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.381 -5.127 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.730 -6.001 -0.458 1.00 0.00 H new ATOM 967 N LYS A 67 -0.312 -7.511 3.625 1.00 0.00 N ATOM 968 CA LYS A 67 0.252 -8.736 4.180 1.00 0.00 C ATOM 969 C LYS A 67 -0.706 -9.908 3.996 1.00 0.00 C ATOM 970 O LYS A 67 -1.924 -9.733 4.007 1.00 0.00 O ATOM 971 CB LYS A 67 0.566 -8.549 5.666 1.00 0.00 C ATOM 972 CG LYS A 67 -0.626 -8.090 6.487 1.00 0.00 C ATOM 973 CD LYS A 67 -0.304 -6.838 7.286 1.00 0.00 C ATOM 974 CE LYS A 67 0.183 -7.180 8.686 1.00 0.00 C ATOM 975 NZ LYS A 67 -0.321 -6.213 9.700 1.00 0.00 N ATOM 0 H LYS A 67 -1.260 -7.611 3.262 1.00 0.00 H new ATOM 0 HA LYS A 67 1.175 -8.957 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.935 -9.491 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.370 -7.820 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.470 -7.894 5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.931 -8.887 7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.459 -6.259 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.192 -6.209 7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.145 -8.186 8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.273 -7.186 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.033 -6.480 10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.013 -5.257 9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.361 -6.226 9.705 1.00 0.00 H new ATOM 989 N GLN A 68 -0.148 -11.103 3.829 1.00 0.00 N ATOM 990 CA GLN A 68 -0.954 -12.303 3.643 1.00 0.00 C ATOM 991 C GLN A 68 -1.401 -12.871 4.986 1.00 0.00 C ATOM 992 O GLN A 68 -0.579 -13.297 5.796 1.00 0.00 O ATOM 993 CB GLN A 68 -0.163 -13.359 2.868 1.00 0.00 C ATOM 994 CG GLN A 68 0.263 -12.903 1.482 1.00 0.00 C ATOM 995 CD GLN A 68 1.077 -13.950 0.748 1.00 0.00 C ATOM 996 OE1 GLN A 68 2.190 -14.285 1.154 1.00 0.00 O ATOM 997 NE2 GLN A 68 0.525 -14.474 -0.341 1.00 0.00 N ATOM 0 H GLN A 68 0.859 -11.265 3.819 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.840 -12.030 3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.724 -13.630 3.441 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.770 -14.260 2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.623 -12.660 0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.849 -11.988 1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.400 -14.167 -0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.026 -15.183 -0.876 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.710 -12.873 5.215 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.267 -13.388 6.461 1.00 0.00 C ATOM 1008 C ASN A 69 -2.735 -14.787 6.758 1.00 0.00 C ATOM 1009 O ASN A 69 -2.233 -15.486 5.878 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.795 -13.417 6.387 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.302 -14.236 5.216 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.642 -15.173 4.767 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.480 -13.884 4.714 1.00 0.00 N ATOM 0 H ASN A 69 -3.405 -12.524 4.555 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.961 -12.723 7.269 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.193 -13.829 7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.171 -12.397 6.304 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.872 -14.397 3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.993 -13.100 5.118 1.00 0.00 H new ATOM 1020 N PRO A 70 -2.847 -15.205 8.028 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.384 -16.523 8.470 1.00 0.00 C ATOM 1022 C PRO A 70 -2.900 -17.648 7.580 1.00 0.00 C ATOM 1023 O PRO A 70 -2.288 -18.713 7.492 1.00 0.00 O ATOM 1024 CB PRO A 70 -2.965 -16.648 9.881 1.00 0.00 C ATOM 1025 CG PRO A 70 -3.114 -15.244 10.355 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.435 -14.423 9.128 1.00 0.00 C ATOM 0 HA PRO A 70 -1.298 -16.607 8.432 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.924 -17.166 9.870 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.303 -17.218 10.533 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.909 -15.165 11.097 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.198 -14.893 10.831 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.510 -14.296 9.000 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.001 -13.425 9.188 1.00 0.00 H new ATOM 1034 N GLU A 71 -4.028 -17.405 6.920 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.626 -18.399 6.037 1.00 0.00 C ATOM 1036 C GLU A 71 -3.765 -18.610 4.795 1.00 0.00 C ATOM 1037 O GLU A 71 -3.601 -19.735 4.324 1.00 0.00 O ATOM 1038 CB GLU A 71 -6.035 -17.967 5.626 1.00 0.00 C ATOM 1039 CG GLU A 71 -6.875 -17.453 6.782 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.362 -17.490 6.485 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -8.859 -18.562 6.080 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -9.028 -16.448 6.658 1.00 0.00 O ATOM 0 H GLU A 71 -4.546 -16.528 6.980 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.687 -19.341 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.960 -17.188 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.545 -18.813 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.671 -18.052 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.580 -16.430 7.014 1.00 0.00 H new ATOM 1049 N GLY A 72 -3.216 -17.519 4.269 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.379 -17.606 3.086 1.00 0.00 C ATOM 1051 C GLY A 72 -2.919 -16.783 1.933 1.00 0.00 C ATOM 1052 O GLY A 72 -2.646 -17.080 0.770 1.00 0.00 O ATOM 0 H GLY A 72 -3.336 -16.577 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.373 -17.267 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.298 -18.648 2.778 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.687 -15.748 2.255 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.268 -14.882 1.236 1.00 0.00 C ATOM 1058 C GLN A 73 -3.908 -13.422 1.492 1.00 0.00 C ATOM 1059 O GLN A 73 -3.879 -12.972 2.638 1.00 0.00 O ATOM 1060 CB GLN A 73 -5.789 -15.046 1.203 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.492 -14.027 0.321 1.00 0.00 C ATOM 1062 CD GLN A 73 -6.113 -14.160 -1.141 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -5.305 -15.012 -1.510 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -6.697 -13.315 -1.983 1.00 0.00 N ATOM 0 H GLN A 73 -3.922 -15.488 3.213 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.857 -15.175 0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.030 -16.048 0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.177 -14.964 2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.571 -14.145 0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.246 -13.023 0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.361 -12.624 -1.634 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.481 -13.357 -2.979 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.635 -12.688 0.420 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.276 -11.279 0.529 1.00 0.00 C ATOM 1075 C TRP A 74 -4.458 -10.453 1.025 1.00 0.00 C ATOM 1076 O TRP A 74 -5.563 -10.547 0.489 1.00 0.00 O ATOM 1077 CB TRP A 74 -2.798 -10.747 -0.823 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.345 -11.008 -1.084 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -0.820 -11.885 -1.990 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.232 -10.389 -0.431 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.552 -11.848 -1.940 1.00 0.00 N ATOM 1082 CE2 TRP A 74 0.938 -10.938 -0.991 1.00 0.00 C ATOM 1083 CE3 TRP A 74 -0.109 -9.424 0.572 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 2.212 -10.553 -0.581 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 1.156 -9.043 0.979 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.302 -9.606 0.403 1.00 0.00 C ATOM 0 H TRP A 74 -3.655 -13.045 -0.535 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.466 -11.191 1.253 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.390 -11.205 -1.615 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.981 -9.673 -0.868 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.399 -12.515 -2.649 1.00 0.00 H new ATOM 0 HE1 TRP A 74 1.181 -12.407 -2.516 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -0.987 -8.984 1.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 3.097 -10.986 -1.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.262 -8.299 1.754 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.276 -9.286 0.742 1.00 0.00 H new ATOM 1097 N THR A 75 -4.220 -9.644 2.052 1.00 0.00 N ATOM 1098 CA THR A 75 -5.265 -8.802 2.621 1.00 0.00 C ATOM 1099 C THR A 75 -4.737 -7.407 2.935 1.00 0.00 C ATOM 1100 O THR A 75 -3.745 -7.254 3.647 1.00 0.00 O ATOM 1101 CB THR A 75 -5.846 -9.420 3.906 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.801 -9.640 4.860 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.549 -10.735 3.605 1.00 0.00 C ATOM 0 H THR A 75 -3.312 -9.554 2.507 1.00 0.00 H new ATOM 0 HA THR A 75 -6.054 -8.729 1.873 1.00 0.00 H new ATOM 0 HB THR A 75 -6.575 -8.723 4.320 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.932 -9.482 4.435 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.951 -11.152 4.528 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.363 -10.560 2.901 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.838 -11.437 3.169 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.408 -6.392 2.399 1.00 0.00 N ATOM 1112 CA ILE A 76 -5.006 -5.009 2.625 1.00 0.00 C ATOM 1113 C ILE A 76 -5.614 -4.463 3.912 1.00 0.00 C ATOM 1114 O ILE A 76 -6.828 -4.513 4.107 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.423 -4.104 1.450 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -4.986 -2.660 1.711 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -6.926 -4.177 1.232 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -4.742 -1.866 0.447 1.00 0.00 C ATOM 0 H ILE A 76 -6.231 -6.501 1.806 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.919 -5.005 2.709 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.928 -4.456 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.751 -2.159 2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.074 -2.667 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.205 -3.532 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.212 -5.205 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.441 -3.847 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.436 -0.853 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.956 -2.344 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.659 -1.828 -0.141 1.00 0.00 H new ATOM 1130 N MET A 77 -4.761 -3.941 4.788 1.00 0.00 N ATOM 1131 CA MET A 77 -5.215 -3.383 6.056 1.00 0.00 C ATOM 1132 C MET A 77 -4.603 -2.005 6.293 1.00 0.00 C ATOM 1133 O MET A 77 -3.391 -1.826 6.178 1.00 0.00 O ATOM 1134 CB MET A 77 -4.851 -4.320 7.210 1.00 0.00 C ATOM 1135 CG MET A 77 -5.265 -3.793 8.574 1.00 0.00 C ATOM 1136 SD MET A 77 -3.964 -3.970 9.810 1.00 0.00 S ATOM 1137 CE MET A 77 -2.978 -2.513 9.474 1.00 0.00 C ATOM 0 H MET A 77 -3.753 -3.893 4.643 1.00 0.00 H new ATOM 0 HA MET A 77 -6.299 -3.278 6.011 1.00 0.00 H new ATOM 0 HB2 MET A 77 -5.324 -5.288 7.045 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.774 -4.487 7.206 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.537 -2.741 8.486 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.155 -4.325 8.910 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.930 -2.797 9.377 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.316 -2.051 8.547 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.087 -1.803 10.294 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.450 -1.037 6.625 1.00 0.00 N ATOM 1148 CA ASP A 78 -4.992 0.325 6.879 1.00 0.00 C ATOM 1149 C ASP A 78 -4.489 0.470 8.312 1.00 0.00 C ATOM 1150 O ASP A 78 -4.950 -0.226 9.215 1.00 0.00 O ATOM 1151 CB ASP A 78 -6.122 1.322 6.618 1.00 0.00 C ATOM 1152 CG ASP A 78 -7.365 1.014 7.430 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -7.335 0.044 8.216 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -8.368 1.743 7.280 1.00 0.00 O ATOM 0 H ASP A 78 -6.456 -1.169 6.725 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.166 0.538 6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.777 2.328 6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.373 1.313 5.557 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.540 1.379 8.510 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.972 1.615 9.833 1.00 0.00 C ATOM 1161 C ASN A 79 -3.560 2.875 10.460 1.00 0.00 C ATOM 1162 O ASN A 79 -2.860 3.869 10.656 1.00 0.00 O ATOM 1163 CB ASN A 79 -1.450 1.739 9.743 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.760 1.329 11.030 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -1.292 1.525 12.122 1.00 0.00 O ATOM 1166 ND2 ASN A 79 0.433 0.758 10.906 1.00 0.00 N ATOM 0 H ASN A 79 -3.148 1.964 7.772 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.223 0.764 10.466 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.085 1.118 8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.185 2.769 9.504 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.946 0.463 11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.836 0.615 9.980 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.850 2.827 10.775 1.00 0.00 N ATOM 1174 CA LYS A 80 -5.533 3.963 11.382 1.00 0.00 C ATOM 1175 C LYS A 80 -5.302 5.234 10.571 1.00 0.00 C ATOM 1176 O LYS A 80 -4.798 6.230 11.091 1.00 0.00 O ATOM 1177 CB LYS A 80 -5.049 4.167 12.819 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.742 3.267 13.828 1.00 0.00 C ATOM 1179 CD LYS A 80 -5.906 3.957 15.172 1.00 0.00 C ATOM 1180 CE LYS A 80 -4.590 4.013 15.933 1.00 0.00 C ATOM 1181 NZ LYS A 80 -4.797 4.316 17.376 1.00 0.00 N ATOM 0 H LYS A 80 -5.444 2.012 10.620 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.602 3.749 11.392 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.975 3.986 12.861 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.208 5.207 13.103 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.720 2.976 13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.165 2.351 13.956 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.283 4.968 15.020 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.649 3.426 15.767 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.072 3.059 15.833 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.947 4.774 15.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.877 4.346 17.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.269 5.238 17.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.390 3.577 17.804 1.00 0.00 H new ATOM 1195 N SER A 81 -5.674 5.193 9.296 1.00 0.00 N ATOM 1196 CA SER A 81 -5.504 6.341 8.413 1.00 0.00 C ATOM 1197 C SER A 81 -6.468 7.462 8.789 1.00 0.00 C ATOM 1198 O SER A 81 -7.496 7.226 9.426 1.00 0.00 O ATOM 1199 CB SER A 81 -5.727 5.928 6.957 1.00 0.00 C ATOM 1200 OG SER A 81 -6.941 5.214 6.809 1.00 0.00 O ATOM 0 H SER A 81 -6.095 4.377 8.851 1.00 0.00 H new ATOM 0 HA SER A 81 -4.484 6.709 8.527 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.743 6.814 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.895 5.310 6.620 1.00 0.00 H new ATOM 0 HG SER A 81 -6.753 4.253 6.770 1.00 0.00 H new ATOM 1206 N LEU A 82 -6.129 8.683 8.390 1.00 0.00 N ATOM 1207 CA LEU A 82 -6.964 9.843 8.683 1.00 0.00 C ATOM 1208 C LEU A 82 -7.981 10.078 7.571 1.00 0.00 C ATOM 1209 O LEU A 82 -9.186 10.117 7.816 1.00 0.00 O ATOM 1210 CB LEU A 82 -6.094 11.088 8.867 1.00 0.00 C ATOM 1211 CG LEU A 82 -6.843 12.407 9.061 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -7.319 12.545 10.499 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -5.960 13.584 8.675 1.00 0.00 C ATOM 0 H LEU A 82 -5.282 8.895 7.863 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.506 9.646 9.608 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.447 10.930 9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.446 11.186 7.996 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.717 12.405 8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.850 13.490 10.618 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.989 11.720 10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.460 12.525 11.170 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.510 14.514 8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.067 13.589 9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.670 13.493 7.628 1.00 0.00 H new ATOM 1225 N ASN A 83 -7.486 10.233 6.347 1.00 0.00 N ATOM 1226 CA ASN A 83 -8.352 10.462 5.196 1.00 0.00 C ATOM 1227 C ASN A 83 -9.203 9.231 4.901 1.00 0.00 C ATOM 1228 O ASN A 83 -10.393 9.341 4.612 1.00 0.00 O ATOM 1229 CB ASN A 83 -7.516 10.825 3.967 1.00 0.00 C ATOM 1230 CG ASN A 83 -7.299 12.320 3.835 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -8.219 13.064 3.498 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -6.076 12.766 4.102 1.00 0.00 N ATOM 0 H ASN A 83 -6.490 10.204 6.127 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.017 11.292 5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.550 10.325 4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.012 10.452 3.071 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.870 13.762 4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.344 12.112 4.378 1.00 0.00 H new ATOM 1239 N GLY A 84 -8.582 8.057 4.977 1.00 0.00 N ATOM 1240 CA GLY A 84 -9.298 6.822 4.717 1.00 0.00 C ATOM 1241 C GLY A 84 -8.819 6.129 3.456 1.00 0.00 C ATOM 1242 O GLY A 84 -8.410 6.784 2.497 1.00 0.00 O ATOM 0 H GLY A 84 -7.597 7.940 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.177 6.149 5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.363 7.035 4.629 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.867 4.801 3.458 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.434 4.019 2.306 1.00 0.00 C ATOM 1248 C VAL A 85 -9.627 3.555 1.477 1.00 0.00 C ATOM 1249 O VAL A 85 -10.678 3.214 2.020 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.614 2.789 2.738 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -6.998 2.105 1.527 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -6.540 3.191 3.738 1.00 0.00 C ATOM 0 H VAL A 85 -9.201 4.244 4.244 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.805 4.671 1.700 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.284 2.079 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.422 1.238 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.789 1.782 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.341 2.804 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.970 2.310 4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.871 3.920 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.009 3.631 4.618 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.456 3.544 0.160 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.519 3.120 -0.744 1.00 0.00 C ATOM 1264 C TRP A 86 -10.130 1.845 -1.483 1.00 0.00 C ATOM 1265 O TRP A 86 -8.984 1.686 -1.906 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.835 4.230 -1.749 1.00 0.00 C ATOM 1267 CG TRP A 86 -11.135 5.549 -1.102 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -10.264 6.582 -0.904 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.394 5.974 -0.568 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -10.906 7.623 -0.278 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -12.213 7.276 -0.062 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.656 5.382 -0.469 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -13.247 7.993 0.534 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.681 6.095 0.123 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.472 7.390 0.617 1.00 0.00 C ATOM 0 H TRP A 86 -8.592 3.823 -0.305 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.408 2.915 -0.148 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -9.989 4.349 -2.426 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.689 3.929 -2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -9.224 6.581 -1.196 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.478 8.511 -0.016 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.827 4.385 -0.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -13.088 8.990 0.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.660 5.647 0.207 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.294 7.922 1.072 1.00 0.00 H new ATOM 1286 N LEU A 87 -11.089 0.938 -1.636 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.845 -0.324 -2.325 1.00 0.00 C ATOM 1288 C LEU A 87 -12.046 -0.719 -3.178 1.00 0.00 C ATOM 1289 O LEU A 87 -13.067 -1.168 -2.660 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.538 -1.429 -1.313 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.399 -2.842 -1.882 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -9.057 -3.006 -2.579 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -10.561 -3.879 -0.781 1.00 0.00 C ATOM 0 H LEU A 87 -12.042 1.053 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.985 -0.192 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.612 -1.174 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.329 -1.437 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.189 -2.997 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.975 -4.017 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.980 -2.287 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.252 -2.832 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.459 -4.878 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.794 -3.727 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.546 -3.776 -0.327 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.915 -0.551 -4.490 1.00 0.00 N ATOM 1306 CA ASN A 88 -12.989 -0.892 -5.416 1.00 0.00 C ATOM 1307 C ASN A 88 -14.257 -0.109 -5.089 1.00 0.00 C ATOM 1308 O ASN A 88 -15.336 -0.685 -4.950 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.276 -2.394 -5.365 1.00 0.00 C ATOM 1310 CG ASN A 88 -12.305 -3.197 -6.209 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.624 -2.653 -7.078 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -12.238 -4.499 -5.956 1.00 0.00 N ATOM 0 H ASN A 88 -11.076 -0.181 -4.936 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.667 -0.624 -6.422 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.224 -2.736 -4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.293 -2.579 -5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.603 -5.091 -6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.822 -4.907 -5.226 1.00 0.00 H new ATOM 1319 N ARG A 89 -14.119 1.207 -4.970 1.00 0.00 N ATOM 1320 CA ARG A 89 -15.253 2.070 -4.660 1.00 0.00 C ATOM 1321 C ARG A 89 -15.873 1.691 -3.318 1.00 0.00 C ATOM 1322 O ARG A 89 -17.094 1.632 -3.182 1.00 0.00 O ATOM 1323 CB ARG A 89 -16.307 1.979 -5.765 1.00 0.00 C ATOM 1324 CG ARG A 89 -15.747 2.193 -7.161 1.00 0.00 C ATOM 1325 CD ARG A 89 -15.191 3.599 -7.328 1.00 0.00 C ATOM 1326 NE ARG A 89 -15.211 4.033 -8.722 1.00 0.00 N ATOM 1327 CZ ARG A 89 -14.672 5.171 -9.146 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -14.074 5.985 -8.287 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -14.730 5.497 -10.431 1.00 0.00 N ATOM 0 H ARG A 89 -13.233 1.699 -5.084 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.891 3.096 -4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.784 1.000 -5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -17.083 2.721 -5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.960 1.464 -7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -16.530 2.020 -7.899 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.774 4.294 -6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.168 3.631 -6.953 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.664 3.429 -9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.027 5.738 -7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.661 6.858 -8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -15.189 4.874 -11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.316 6.371 -10.755 1.00 0.00 H new ATOM 1343 N ALA A 90 -15.021 1.435 -2.330 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.485 1.064 -0.999 1.00 0.00 C ATOM 1345 C ALA A 90 -14.529 1.570 0.076 1.00 0.00 C ATOM 1346 O ALA A 90 -13.311 1.455 -0.058 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.644 -0.446 -0.898 1.00 0.00 C ATOM 0 H ALA A 90 -14.006 1.478 -2.427 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.455 1.533 -0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.991 -0.709 0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.371 -0.785 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.684 -0.926 -1.087 1.00 0.00 H new ATOM 1353 N ARG A 91 -15.090 2.132 1.142 1.00 0.00 N ATOM 1354 CA ARG A 91 -14.287 2.658 2.240 1.00 0.00 C ATOM 1355 C ARG A 91 -13.779 1.529 3.132 1.00 0.00 C ATOM 1356 O ARG A 91 -14.470 0.532 3.344 1.00 0.00 O ATOM 1357 CB ARG A 91 -15.106 3.649 3.070 1.00 0.00 C ATOM 1358 CG ARG A 91 -14.294 4.368 4.135 1.00 0.00 C ATOM 1359 CD ARG A 91 -14.737 5.814 4.290 1.00 0.00 C ATOM 1360 NE ARG A 91 -14.585 6.288 5.663 1.00 0.00 N ATOM 1361 CZ ARG A 91 -15.238 7.335 6.155 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -16.083 8.013 5.391 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -15.047 7.705 7.415 1.00 0.00 N ATOM 0 H ARG A 91 -16.097 2.235 1.269 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.428 3.175 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -15.551 4.388 2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -15.928 3.117 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.401 3.849 5.088 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.237 4.336 3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -14.153 6.446 3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -15.780 5.908 3.987 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.943 5.788 6.278 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -16.233 7.731 4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.583 8.816 5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.398 7.185 8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.549 8.509 7.792 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.567 1.692 3.651 1.00 0.00 N ATOM 1378 CA LEU A 92 -11.966 0.686 4.520 1.00 0.00 C ATOM 1379 C LEU A 92 -11.750 1.239 5.925 1.00 0.00 C ATOM 1380 O LEU A 92 -11.137 2.291 6.100 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.634 0.211 3.936 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.658 -0.217 2.469 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -9.267 -0.120 1.861 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.203 -1.632 2.335 1.00 0.00 C ATOM 0 H LEU A 92 -11.981 2.511 3.485 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.651 -0.160 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.905 1.013 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.278 -0.629 4.533 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.318 0.459 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.304 -0.429 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.914 0.909 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.585 -0.771 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.213 -1.920 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.569 -2.320 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.218 -1.670 2.731 1.00 0.00 H new ATOM 1396 N GLU A 93 -12.257 0.521 6.922 1.00 0.00 N ATOM 1397 CA GLU A 93 -12.119 0.940 8.312 1.00 0.00 C ATOM 1398 C GLU A 93 -10.686 0.744 8.799 1.00 0.00 C ATOM 1399 O GLU A 93 -9.924 -0.059 8.259 1.00 0.00 O ATOM 1400 CB GLU A 93 -13.084 0.156 9.203 1.00 0.00 C ATOM 1401 CG GLU A 93 -14.518 0.653 9.133 1.00 0.00 C ATOM 1402 CD GLU A 93 -15.531 -0.464 9.288 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -15.310 -1.350 10.140 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -16.545 -0.452 8.559 1.00 0.00 O ATOM 0 H GLU A 93 -12.767 -0.353 6.793 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.363 2.001 8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.058 -0.895 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.739 0.212 10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.680 1.396 9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.679 1.154 8.178 1.00 0.00 H new ATOM 1411 N PRO A 94 -10.309 1.495 9.844 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.966 1.422 10.427 1.00 0.00 C ATOM 1413 C PRO A 94 -8.722 0.107 11.160 1.00 0.00 C ATOM 1414 O PRO A 94 -9.552 -0.336 11.955 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.943 2.594 11.412 1.00 0.00 C ATOM 1416 CG PRO A 94 -10.372 2.818 11.768 1.00 0.00 C ATOM 1417 CD PRO A 94 -11.164 2.473 10.537 1.00 0.00 C ATOM 0 HA PRO A 94 -8.188 1.471 9.665 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.348 2.358 12.294 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.504 3.483 10.959 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.667 2.192 12.610 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.543 3.853 12.065 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.136 2.049 10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.351 3.352 9.920 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.580 -0.514 10.887 1.00 0.00 N ATOM 1426 CA LEU A 95 -7.227 -1.779 11.521 1.00 0.00 C ATOM 1427 C LEU A 95 -8.213 -2.876 11.135 1.00 0.00 C ATOM 1428 O LEU A 95 -8.698 -3.618 11.989 1.00 0.00 O ATOM 1429 CB LEU A 95 -7.195 -1.619 13.042 1.00 0.00 C ATOM 1430 CG LEU A 95 -6.445 -0.397 13.573 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -6.370 -0.434 15.091 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -5.049 -0.324 12.970 1.00 0.00 C ATOM 0 H LEU A 95 -6.883 -0.162 10.231 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.236 -2.067 11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.222 -1.576 13.404 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.743 -2.513 13.472 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.994 0.498 13.279 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.833 0.444 15.450 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.378 -0.437 15.505 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.845 -1.335 15.407 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.530 0.552 13.359 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.492 -1.223 13.233 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.125 -0.249 11.885 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.504 -2.974 9.841 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.433 -3.981 9.341 1.00 0.00 C ATOM 1446 C ARG A 96 -8.789 -4.813 8.236 1.00 0.00 C ATOM 1447 O ARG A 96 -7.954 -4.317 7.478 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.707 -3.316 8.818 1.00 0.00 C ATOM 1449 CG ARG A 96 -11.930 -4.216 8.872 1.00 0.00 C ATOM 1450 CD ARG A 96 -12.772 -3.937 10.107 1.00 0.00 C ATOM 1451 NE ARG A 96 -13.673 -5.045 10.417 1.00 0.00 N ATOM 1452 CZ ARG A 96 -14.284 -5.190 11.587 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -14.093 -4.302 12.553 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -15.089 -6.225 11.793 1.00 0.00 N ATOM 0 H ARG A 96 -8.110 -2.369 9.121 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.691 -4.643 10.167 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.903 -2.416 9.401 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.545 -2.999 7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.534 -4.066 7.977 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.616 -5.260 8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.117 -3.753 10.959 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.354 -3.029 9.951 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.842 -5.745 9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.475 -3.505 12.398 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.564 -4.416 13.451 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.239 -6.910 11.052 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.558 -6.335 12.692 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.182 -6.079 8.150 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.644 -6.980 7.137 1.00 0.00 C ATOM 1470 C VAL A 97 -9.560 -7.047 5.919 1.00 0.00 C ATOM 1471 O VAL A 97 -10.774 -7.198 6.051 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.447 -8.401 7.697 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -7.708 -9.273 6.693 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -7.703 -8.352 9.023 1.00 0.00 C ATOM 0 H VAL A 97 -9.871 -6.505 8.770 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.676 -6.578 6.838 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.428 -8.843 7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.578 -10.273 7.106 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.285 -9.334 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.731 -8.838 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.572 -9.365 9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.726 -7.891 8.875 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.276 -7.765 9.740 1.00 0.00 H new ATOM 1484 N TYR A 98 -8.969 -6.935 4.735 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.731 -6.981 3.493 1.00 0.00 C ATOM 1486 C TYR A 98 -9.023 -7.842 2.451 1.00 0.00 C ATOM 1487 O TYR A 98 -7.988 -7.456 1.910 1.00 0.00 O ATOM 1488 CB TYR A 98 -9.941 -5.568 2.946 1.00 0.00 C ATOM 1489 CG TYR A 98 -10.937 -4.754 3.739 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.303 -4.974 3.611 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -10.513 -3.763 4.616 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -13.217 -4.232 4.334 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -11.420 -3.017 5.343 1.00 0.00 C ATOM 1494 CZ TYR A 98 -12.771 -3.255 5.199 1.00 0.00 C ATOM 1495 OH TYR A 98 -13.678 -2.513 5.920 1.00 0.00 O ATOM 0 H TYR A 98 -7.964 -6.812 4.609 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.702 -7.428 3.708 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.984 -5.046 2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.280 -5.634 1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.656 -5.738 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.456 -3.573 4.731 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.275 -4.416 4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.073 -2.251 6.021 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.477 -3.053 6.094 1.00 0.00 H new ATOM 1505 N SER A 99 -9.592 -9.012 2.175 1.00 0.00 N ATOM 1506 CA SER A 99 -9.015 -9.931 1.200 1.00 0.00 C ATOM 1507 C SER A 99 -9.020 -9.315 -0.196 1.00 0.00 C ATOM 1508 O SER A 99 -10.068 -8.926 -0.710 1.00 0.00 O ATOM 1509 CB SER A 99 -9.790 -11.250 1.191 1.00 0.00 C ATOM 1510 OG SER A 99 -10.520 -11.421 2.393 1.00 0.00 O ATOM 0 H SER A 99 -10.451 -9.345 2.612 1.00 0.00 H new ATOM 0 HA SER A 99 -7.982 -10.127 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.473 -11.268 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.097 -12.081 1.061 1.00 0.00 H new ATOM 0 HG SER A 99 -11.008 -12.270 2.361 1.00 0.00 H new ATOM 1516 N ILE A 100 -7.841 -9.231 -0.802 1.00 0.00 N ATOM 1517 CA ILE A 100 -7.708 -8.664 -2.138 1.00 0.00 C ATOM 1518 C ILE A 100 -7.435 -9.751 -3.172 1.00 0.00 C ATOM 1519 O ILE A 100 -6.729 -10.722 -2.897 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.578 -7.620 -2.198 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.274 -8.216 -1.663 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -6.962 -6.378 -1.406 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -4.066 -7.338 -1.901 1.00 0.00 C ATOM 0 H ILE A 100 -6.964 -9.548 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.655 -8.176 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.425 -7.332 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.378 -8.395 -0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.107 -9.185 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.153 -5.649 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.869 -5.944 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.139 -6.650 -0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.178 -7.823 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.937 -7.180 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.212 -6.377 -1.407 1.00 0.00 H new ATOM 1535 N HIS A 101 -7.998 -9.581 -4.365 1.00 0.00 N ATOM 1536 CA HIS A 101 -7.813 -10.547 -5.442 1.00 0.00 C ATOM 1537 C HIS A 101 -7.451 -9.843 -6.746 1.00 0.00 C ATOM 1538 O HIS A 101 -7.326 -8.620 -6.788 1.00 0.00 O ATOM 1539 CB HIS A 101 -9.081 -11.379 -5.632 1.00 0.00 C ATOM 1540 CG HIS A 101 -9.615 -11.958 -4.358 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -9.447 -13.281 -4.004 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -10.314 -11.386 -3.350 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -10.022 -13.497 -2.835 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -10.555 -12.364 -2.416 1.00 0.00 N ATOM 0 H HIS A 101 -8.585 -8.784 -4.610 1.00 0.00 H new ATOM 0 HA HIS A 101 -6.992 -11.209 -5.167 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.850 -10.755 -6.088 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -8.872 -12.190 -6.330 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.624 -10.353 -3.291 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -10.051 -14.441 -2.310 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.063 -12.236 -1.541 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.285 -10.625 -7.808 1.00 0.00 N ATOM 1553 CA GLN A 102 -6.936 -10.076 -9.113 1.00 0.00 C ATOM 1554 C GLN A 102 -8.064 -9.205 -9.657 1.00 0.00 C ATOM 1555 O GLN A 102 -9.061 -9.712 -10.170 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.627 -11.204 -10.099 1.00 0.00 C ATOM 1557 CG GLN A 102 -5.242 -11.109 -10.718 1.00 0.00 C ATOM 1558 CD GLN A 102 -5.283 -11.026 -12.231 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -5.668 -11.982 -12.906 1.00 0.00 O ATOM 1560 NE2 GLN A 102 -4.886 -9.881 -12.772 1.00 0.00 N ATOM 0 H GLN A 102 -7.386 -11.640 -7.790 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.048 -9.455 -8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.721 -12.161 -9.585 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.373 -11.195 -10.894 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.732 -10.230 -10.324 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.655 -11.978 -10.421 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.575 -9.115 -12.174 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.892 -9.767 -13.786 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.900 -7.891 -9.540 1.00 0.00 N ATOM 1570 CA GLY A 103 -8.913 -6.971 -10.023 1.00 0.00 C ATOM 1571 C GLY A 103 -9.424 -6.048 -8.935 1.00 0.00 C ATOM 1572 O GLY A 103 -10.633 -5.917 -8.740 1.00 0.00 O ATOM 0 H GLY A 103 -7.084 -7.447 -9.119 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.500 -6.375 -10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.747 -7.538 -10.436 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.503 -5.407 -8.224 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.868 -4.491 -7.149 1.00 0.00 C ATOM 1578 C ASP A 104 -8.167 -3.147 -7.319 1.00 0.00 C ATOM 1579 O ASP A 104 -6.990 -3.090 -7.676 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.511 -5.098 -5.791 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.691 -5.791 -5.138 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -10.104 -6.857 -5.639 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -10.202 -5.266 -4.126 1.00 0.00 O ATOM 0 H ASP A 104 -7.499 -5.505 -8.372 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.945 -4.327 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.698 -5.813 -5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.144 -4.313 -5.131 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.898 -2.068 -7.063 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.349 -0.724 -7.192 1.00 0.00 C ATOM 1590 C TYR A 105 -8.093 -0.106 -5.820 1.00 0.00 C ATOM 1591 O TYR A 105 -9.021 0.095 -5.036 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.301 0.165 -7.994 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.883 0.353 -9.435 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.829 -0.725 -10.310 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.543 1.609 -9.921 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.447 -0.557 -11.627 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -8.161 1.787 -11.237 1.00 0.00 C ATOM 1598 CZ TYR A 105 -8.114 0.701 -12.086 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.735 0.872 -13.397 1.00 0.00 O ATOM 0 H TYR A 105 -9.873 -2.098 -6.765 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.399 -0.797 -7.721 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.300 -0.270 -7.968 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.366 1.141 -7.513 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.090 -1.711 -9.955 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.578 2.461 -9.259 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.409 -1.406 -12.294 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.901 2.771 -11.599 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.990 1.769 -13.697 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.830 0.192 -5.539 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.452 0.789 -4.264 1.00 0.00 C ATOM 1611 C ILE A 106 -6.159 2.277 -4.418 1.00 0.00 C ATOM 1612 O ILE A 106 -5.390 2.681 -5.290 1.00 0.00 O ATOM 1613 CB ILE A 106 -5.216 0.094 -3.662 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.492 -1.397 -3.455 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.826 0.753 -2.347 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -5.170 -2.245 -4.665 1.00 0.00 C ATOM 0 H ILE A 106 -6.051 0.030 -6.177 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.299 0.656 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.384 0.197 -4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.907 -1.752 -2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.542 -1.531 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.951 0.251 -1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.593 1.803 -2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.654 0.677 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.390 -3.290 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.774 -1.916 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.113 -2.141 -4.912 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.776 3.088 -3.564 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.580 4.532 -3.605 1.00 0.00 C ATOM 1630 C GLN A 107 -6.205 5.070 -2.229 1.00 0.00 C ATOM 1631 O GLN A 107 -6.902 4.824 -1.243 1.00 0.00 O ATOM 1632 CB GLN A 107 -7.847 5.225 -4.109 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.577 6.536 -4.831 1.00 0.00 C ATOM 1634 CD GLN A 107 -8.835 7.153 -5.410 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -8.987 7.254 -6.627 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -9.745 7.570 -4.537 1.00 0.00 N ATOM 0 H GLN A 107 -7.415 2.769 -2.836 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.761 4.743 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.376 4.551 -4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.508 5.415 -3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.117 7.240 -4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -6.859 6.364 -5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.577 7.466 -3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.612 7.994 -4.867 1.00 0.00 H new ATOM 1645 N LEU A 108 -5.100 5.804 -2.167 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.631 6.378 -0.910 1.00 0.00 C ATOM 1647 C LEU A 108 -5.201 7.777 -0.704 1.00 0.00 C ATOM 1648 O LEU A 108 -4.856 8.712 -1.426 1.00 0.00 O ATOM 1649 CB LEU A 108 -3.103 6.429 -0.888 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.384 5.094 -1.085 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.880 5.305 -1.173 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -2.724 4.133 0.045 1.00 0.00 C ATOM 0 H LEU A 108 -4.511 6.016 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.978 5.741 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.771 7.116 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.787 6.852 0.066 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.724 4.655 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.385 4.344 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.653 5.957 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.523 5.766 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.203 3.188 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.413 4.565 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.799 3.956 0.061 1.00 0.00 H new ATOM 1664 N GLY A 109 -6.076 7.915 0.288 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.678 9.204 0.573 1.00 0.00 C ATOM 1666 C GLY A 109 -7.690 9.616 -0.478 1.00 0.00 C ATOM 1667 O GLY A 109 -8.098 8.805 -1.309 1.00 0.00 O ATOM 0 H GLY A 109 -6.378 7.157 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.165 9.167 1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.896 9.961 0.637 1.00 0.00 H new ATOM 1671 N VAL A 110 -8.098 10.881 -0.440 1.00 0.00 N ATOM 1672 CA VAL A 110 -9.069 11.399 -1.396 1.00 0.00 C ATOM 1673 C VAL A 110 -8.441 12.454 -2.300 1.00 0.00 C ATOM 1674 O VAL A 110 -7.448 13.094 -1.952 1.00 0.00 O ATOM 1675 CB VAL A 110 -10.288 12.011 -0.682 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -11.223 10.918 -0.188 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.840 12.900 0.469 1.00 0.00 C ATOM 0 H VAL A 110 -7.771 11.565 0.242 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.398 10.555 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 110 -10.834 12.627 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -12.078 11.370 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.570 10.326 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.691 10.273 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -10.714 13.324 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.270 12.308 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.214 13.705 0.084 1.00 0.00 H new ATOM 1687 N PRO A 111 -9.032 12.643 -3.489 1.00 0.00 N ATOM 1688 CA PRO A 111 -8.548 13.621 -4.468 1.00 0.00 C ATOM 1689 C PRO A 111 -8.781 15.058 -4.015 1.00 0.00 C ATOM 1690 O PRO A 111 -9.691 15.333 -3.232 1.00 0.00 O ATOM 1691 CB PRO A 111 -9.378 13.313 -5.717 1.00 0.00 C ATOM 1692 CG PRO A 111 -10.624 12.682 -5.198 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.219 11.915 -3.970 1.00 0.00 C ATOM 0 HA PRO A 111 -7.472 13.543 -4.624 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.598 14.220 -6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -8.845 12.642 -6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.373 13.437 -4.957 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.066 12.021 -5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.013 11.903 -3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -9.986 10.876 -4.204 1.00 0.00 H new ATOM 1701 N LEU A 112 -7.954 15.971 -4.512 1.00 0.00 N ATOM 1702 CA LEU A 112 -8.070 17.382 -4.159 1.00 0.00 C ATOM 1703 C LEU A 112 -8.909 18.133 -5.187 1.00 0.00 C ATOM 1704 O LEU A 112 -9.457 17.535 -6.112 1.00 0.00 O ATOM 1705 CB LEU A 112 -6.683 18.017 -4.053 1.00 0.00 C ATOM 1706 CG LEU A 112 -5.744 17.410 -3.009 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -4.296 17.545 -3.451 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -5.954 18.072 -1.655 1.00 0.00 C ATOM 0 H LEU A 112 -7.196 15.760 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.568 17.450 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.200 17.952 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.807 19.076 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.975 16.349 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.643 17.108 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.155 17.025 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.051 18.600 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.278 17.628 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.750 19.140 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.985 17.923 -1.333 1.00 0.00 H new ATOM 1720 N GLU A 113 -9.002 19.449 -5.019 1.00 0.00 N ATOM 1721 CA GLU A 113 -9.774 20.282 -5.935 1.00 0.00 C ATOM 1722 C GLU A 113 -9.125 20.318 -7.316 1.00 0.00 C ATOM 1723 O GLU A 113 -7.905 20.224 -7.442 1.00 0.00 O ATOM 1724 CB GLU A 113 -9.901 21.703 -5.382 1.00 0.00 C ATOM 1725 CG GLU A 113 -8.596 22.483 -5.401 1.00 0.00 C ATOM 1726 CD GLU A 113 -8.610 23.666 -4.454 1.00 0.00 C ATOM 1727 OE1 GLU A 113 -9.708 24.197 -4.184 1.00 0.00 O ATOM 1728 OE2 GLU A 113 -7.524 24.063 -3.983 1.00 0.00 O ATOM 0 H GLU A 113 -8.553 19.960 -4.259 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.769 19.847 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.647 22.245 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.270 21.654 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.775 21.818 -5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -8.403 22.836 -6.414 1.00 0.00 H new ATOM 1735 N ASN A 114 -9.951 20.454 -8.347 1.00 0.00 N ATOM 1736 CA ASN A 114 -9.459 20.501 -9.720 1.00 0.00 C ATOM 1737 C ASN A 114 -8.723 19.214 -10.078 1.00 0.00 C ATOM 1738 O ASN A 114 -7.743 19.233 -10.823 1.00 0.00 O ATOM 1739 CB ASN A 114 -8.531 21.703 -9.910 1.00 0.00 C ATOM 1740 CG ASN A 114 -9.201 23.014 -9.544 1.00 0.00 C ATOM 1741 OD1 ASN A 114 -8.881 23.623 -8.523 1.00 0.00 O ATOM 1742 ND2 ASN A 114 -10.135 23.454 -10.379 1.00 0.00 N ATOM 0 H ASN A 114 -10.964 20.534 -8.259 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.317 20.604 -10.384 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.639 21.570 -9.298 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -8.202 21.744 -10.948 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.620 24.330 -10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.368 22.916 -11.214 1.00 0.00 H new ATOM 1749 N LYS A 115 -9.202 18.096 -9.543 1.00 0.00 N ATOM 1750 CA LYS A 115 -8.592 16.798 -9.806 1.00 0.00 C ATOM 1751 C LYS A 115 -9.656 15.749 -10.113 1.00 0.00 C ATOM 1752 O LYS A 115 -10.356 15.282 -9.215 1.00 0.00 O ATOM 1753 CB LYS A 115 -7.753 16.353 -8.607 1.00 0.00 C ATOM 1754 CG LYS A 115 -6.594 17.285 -8.296 1.00 0.00 C ATOM 1755 CD LYS A 115 -5.495 17.176 -9.340 1.00 0.00 C ATOM 1756 CE LYS A 115 -4.554 18.369 -9.286 1.00 0.00 C ATOM 1757 NZ LYS A 115 -5.004 19.472 -10.180 1.00 0.00 N ATOM 0 H LYS A 115 -10.012 18.063 -8.924 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.944 16.899 -10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -8.397 16.282 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.363 15.353 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.954 18.313 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.188 17.047 -7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.930 16.258 -9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.940 17.107 -10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.490 18.735 -8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.551 18.054 -9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.792 20.388 -9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.506 19.406 -11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.029 19.393 -10.340 1.00 0.00 H new ATOM 1771 N GLU A 116 -9.771 15.383 -11.385 1.00 0.00 N ATOM 1772 CA GLU A 116 -10.749 14.388 -11.808 1.00 0.00 C ATOM 1773 C GLU A 116 -10.612 13.108 -10.990 1.00 0.00 C ATOM 1774 O GLU A 116 -11.584 12.382 -10.786 1.00 0.00 O ATOM 1775 CB GLU A 116 -10.582 14.076 -13.297 1.00 0.00 C ATOM 1776 CG GLU A 116 -11.071 15.187 -14.211 1.00 0.00 C ATOM 1777 CD GLU A 116 -10.585 15.025 -15.638 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -10.596 13.882 -16.141 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -10.195 16.040 -16.251 1.00 0.00 O ATOM 0 H GLU A 116 -9.199 15.760 -12.141 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.744 14.800 -11.640 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.529 13.884 -13.503 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.124 13.160 -13.531 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.161 15.206 -14.202 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.732 16.147 -13.823 1.00 0.00 H new ATOM 1786 N ASN A 117 -9.397 12.838 -10.524 1.00 0.00 N ATOM 1787 CA ASN A 117 -9.131 11.644 -9.729 1.00 0.00 C ATOM 1788 C ASN A 117 -7.761 11.729 -9.063 1.00 0.00 C ATOM 1789 O ASN A 117 -6.870 12.431 -9.540 1.00 0.00 O ATOM 1790 CB ASN A 117 -9.207 10.394 -10.608 1.00 0.00 C ATOM 1791 CG ASN A 117 -8.177 10.405 -11.721 1.00 0.00 C ATOM 1792 OD1 ASN A 117 -8.369 11.048 -12.753 1.00 0.00 O ATOM 1793 ND2 ASN A 117 -7.075 9.693 -11.515 1.00 0.00 N ATOM 0 H ASN A 117 -8.581 13.429 -10.683 1.00 0.00 H new ATOM 0 HA ASN A 117 -9.891 11.579 -8.950 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.060 9.509 -9.989 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.204 10.318 -11.041 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -6.346 9.664 -12.228 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -6.958 9.175 -10.644 1.00 0.00 H new ATOM 1800 N ALA A 118 -7.601 11.008 -7.958 1.00 0.00 N ATOM 1801 CA ALA A 118 -6.340 11.000 -7.227 1.00 0.00 C ATOM 1802 C ALA A 118 -5.181 10.609 -8.137 1.00 0.00 C ATOM 1803 O ALA A 118 -5.327 9.753 -9.009 1.00 0.00 O ATOM 1804 CB ALA A 118 -6.424 10.052 -6.040 1.00 0.00 C ATOM 0 H ALA A 118 -8.329 10.422 -7.550 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.155 12.009 -6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.475 10.056 -5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.221 10.377 -5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.636 9.043 -6.394 1.00 0.00 H new ATOM 1810 N GLU A 119 -4.031 11.242 -7.929 1.00 0.00 N ATOM 1811 CA GLU A 119 -2.847 10.960 -8.733 1.00 0.00 C ATOM 1812 C GLU A 119 -2.295 9.573 -8.419 1.00 0.00 C ATOM 1813 O GLU A 119 -1.716 8.913 -9.283 1.00 0.00 O ATOM 1814 CB GLU A 119 -1.771 12.018 -8.484 1.00 0.00 C ATOM 1815 CG GLU A 119 -1.116 11.911 -7.117 1.00 0.00 C ATOM 1816 CD GLU A 119 -0.395 13.182 -6.714 1.00 0.00 C ATOM 1817 OE1 GLU A 119 0.281 13.779 -7.578 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -0.505 13.580 -5.536 1.00 0.00 O ATOM 0 H GLU A 119 -3.894 11.953 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.137 10.988 -9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.003 11.931 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.216 13.008 -8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.876 11.677 -6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.408 11.082 -7.121 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.476 9.137 -7.178 1.00 0.00 N ATOM 1826 CA TYR A 120 -1.993 7.830 -6.749 1.00 0.00 C ATOM 1827 C TYR A 120 -3.061 6.759 -6.957 1.00 0.00 C ATOM 1828 O TYR A 120 -4.126 6.803 -6.342 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.580 7.874 -5.277 1.00 0.00 C ATOM 1830 CG TYR A 120 -0.259 8.571 -5.039 1.00 0.00 C ATOM 1831 CD1 TYR A 120 0.945 7.899 -5.215 1.00 0.00 C ATOM 1832 CD2 TYR A 120 -0.215 9.900 -4.639 1.00 0.00 C ATOM 1833 CE1 TYR A 120 2.154 8.532 -4.999 1.00 0.00 C ATOM 1834 CE2 TYR A 120 0.989 10.541 -4.422 1.00 0.00 C ATOM 1835 CZ TYR A 120 2.171 9.853 -4.603 1.00 0.00 C ATOM 1836 OH TYR A 120 3.372 10.488 -4.387 1.00 0.00 O ATOM 0 H TYR A 120 -2.954 9.669 -6.451 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.125 7.575 -7.356 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.357 8.381 -4.705 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -1.517 6.855 -4.895 1.00 0.00 H new ATOM 0 HD1 TYR A 120 0.935 6.865 -5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -1.138 10.442 -4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 120 3.081 7.995 -5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 120 1.005 11.575 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 120 3.278 11.443 -4.586 1.00 0.00 H new ATOM 1846 N GLU A 121 -2.765 5.799 -7.828 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.699 4.718 -8.117 1.00 0.00 C ATOM 1848 C GLU A 121 -2.954 3.455 -8.541 1.00 0.00 C ATOM 1849 O GLU A 121 -1.929 3.524 -9.219 1.00 0.00 O ATOM 1850 CB GLU A 121 -4.677 5.139 -9.216 1.00 0.00 C ATOM 1851 CG GLU A 121 -5.917 5.843 -8.690 1.00 0.00 C ATOM 1852 CD GLU A 121 -6.826 6.331 -9.801 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.590 5.955 -10.968 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -7.772 7.089 -9.504 1.00 0.00 O ATOM 0 H GLU A 121 -1.887 5.748 -8.345 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.258 4.502 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.163 5.799 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.982 4.256 -9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.471 5.161 -8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.615 6.690 -8.074 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.477 2.303 -8.136 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.861 1.024 -8.470 1.00 0.00 C ATOM 1863 C TYR A 122 -3.917 -0.002 -8.867 1.00 0.00 C ATOM 1864 O TYR A 122 -5.111 0.297 -8.891 1.00 0.00 O ATOM 1865 CB TYR A 122 -2.046 0.502 -7.286 1.00 0.00 C ATOM 1866 CG TYR A 122 -1.186 1.558 -6.629 1.00 0.00 C ATOM 1867 CD1 TYR A 122 -1.701 2.382 -5.635 1.00 0.00 C ATOM 1868 CD2 TYR A 122 0.140 1.734 -7.003 1.00 0.00 C ATOM 1869 CE1 TYR A 122 -0.920 3.349 -5.033 1.00 0.00 C ATOM 1870 CE2 TYR A 122 0.929 2.698 -6.406 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.395 3.503 -5.421 1.00 0.00 C ATOM 1872 OH TYR A 122 1.177 4.464 -4.824 1.00 0.00 O ATOM 0 H TYR A 122 -4.326 2.228 -7.576 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.196 1.181 -9.319 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.726 0.086 -6.543 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.408 -0.314 -7.626 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.730 2.264 -5.328 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.562 1.106 -7.774 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.336 3.981 -4.263 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.958 2.821 -6.709 1.00 0.00 H new ATOM 0 HH TYR A 122 2.077 4.440 -5.211 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.468 -1.214 -9.177 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.375 -2.286 -9.574 1.00 0.00 C ATOM 1884 C GLU A 123 -3.780 -3.652 -9.243 1.00 0.00 C ATOM 1885 O GLU A 123 -2.770 -4.058 -9.818 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.679 -2.199 -11.071 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.652 -3.260 -11.556 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.537 -3.519 -13.046 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -4.775 -2.792 -13.717 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -6.208 -4.449 -13.540 1.00 0.00 O ATOM 0 H GLU A 123 -2.483 -1.479 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.303 -2.168 -9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.088 -1.214 -11.294 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.747 -2.290 -11.629 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.471 -4.189 -11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.670 -2.948 -11.323 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.414 -4.356 -8.310 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.949 -5.676 -7.902 1.00 0.00 C ATOM 1899 C VAL A 124 -3.857 -6.620 -9.096 1.00 0.00 C ATOM 1900 O VAL A 124 -4.872 -7.079 -9.619 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.879 -6.296 -6.842 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -4.287 -7.589 -6.303 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -5.136 -5.307 -5.716 1.00 0.00 C ATOM 0 H VAL A 124 -5.250 -4.034 -7.823 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.957 -5.542 -7.471 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.833 -6.531 -7.313 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.958 -8.012 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.160 -8.299 -7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.319 -7.383 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.795 -5.761 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -4.191 -5.039 -5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.607 -4.411 -6.119 1.00 0.00 H new ATOM 1913 N THR A 125 -2.631 -6.907 -9.523 1.00 0.00 N ATOM 1914 CA THR A 125 -2.405 -7.795 -10.656 1.00 0.00 C ATOM 1915 C THR A 125 -1.255 -8.757 -10.380 1.00 0.00 C ATOM 1916 O THR A 125 -0.234 -8.371 -9.812 1.00 0.00 O ATOM 1917 CB THR A 125 -2.098 -7.002 -11.940 1.00 0.00 C ATOM 1918 OG1 THR A 125 -2.091 -7.881 -13.070 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.754 -6.296 -11.833 1.00 0.00 C ATOM 0 H THR A 125 -1.779 -6.537 -9.101 1.00 0.00 H new ATOM 0 HA THR A 125 -3.324 -8.363 -10.800 1.00 0.00 H new ATOM 0 HB THR A 125 -2.877 -6.250 -12.070 1.00 0.00 H new ATOM 0 HG1 THR A 125 -1.897 -7.368 -13.882 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.559 -5.743 -12.752 1.00 0.00 H new ATOM 0 HG22 THR A 125 -0.772 -5.605 -10.990 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.034 -7.034 -11.680 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.428 -10.011 -10.786 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.403 -11.028 -10.581 1.00 0.00 C ATOM 1929 C GLU A 126 0.500 -11.144 -11.806 1.00 0.00 C ATOM 1930 O GLU A 126 0.069 -11.594 -12.867 1.00 0.00 O ATOM 1931 CB GLU A 126 -1.049 -12.382 -10.280 1.00 0.00 C ATOM 1932 CG GLU A 126 -0.091 -13.391 -9.669 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.775 -14.690 -9.290 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -2.023 -14.725 -9.294 1.00 0.00 O ATOM 1935 OE2 GLU A 126 -0.063 -15.671 -8.990 1.00 0.00 O ATOM 0 H GLU A 126 -2.267 -10.347 -11.258 1.00 0.00 H new ATOM 0 HA GLU A 126 0.206 -10.727 -9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.888 -12.232 -9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.457 -12.794 -11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.711 -13.600 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.372 -12.957 -8.783 1.00 0.00 H new ATOM 1942 N GLU A 127 1.756 -10.736 -11.649 1.00 0.00 N ATOM 1943 CA GLU A 127 2.719 -10.794 -12.743 1.00 0.00 C ATOM 1944 C GLU A 127 4.029 -11.426 -12.281 1.00 0.00 C ATOM 1945 O GLU A 127 4.362 -11.393 -11.096 1.00 0.00 O ATOM 1946 CB GLU A 127 2.983 -9.391 -13.293 1.00 0.00 C ATOM 1947 CG GLU A 127 1.739 -8.704 -13.832 1.00 0.00 C ATOM 1948 CD GLU A 127 1.320 -9.236 -15.188 1.00 0.00 C ATOM 1949 OE1 GLU A 127 1.914 -8.813 -16.202 1.00 0.00 O ATOM 1950 OE2 GLU A 127 0.397 -10.077 -15.236 1.00 0.00 O ATOM 0 H GLU A 127 2.130 -10.362 -10.777 1.00 0.00 H new ATOM 0 HA GLU A 127 2.296 -11.413 -13.534 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.414 -8.776 -12.503 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.726 -9.456 -14.088 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.920 -8.837 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.924 -7.633 -13.908 1.00 0.00 H new ATOM 1957 N ASP A 128 4.767 -12.000 -13.224 1.00 0.00 N ATOM 1958 CA ASP A 128 6.041 -12.639 -12.916 1.00 0.00 C ATOM 1959 C ASP A 128 7.086 -11.603 -12.515 1.00 0.00 C ATOM 1960 O ASP A 128 7.018 -10.446 -12.930 1.00 0.00 O ATOM 1961 CB ASP A 128 6.537 -13.443 -14.119 1.00 0.00 C ATOM 1962 CG ASP A 128 5.677 -14.661 -14.395 1.00 0.00 C ATOM 1963 OD1 ASP A 128 4.634 -14.512 -15.066 1.00 0.00 O ATOM 1964 OD2 ASP A 128 6.048 -15.764 -13.941 1.00 0.00 O ATOM 0 H ASP A 128 4.505 -12.036 -14.209 1.00 0.00 H new ATOM 0 HA ASP A 128 5.886 -13.316 -12.076 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.548 -12.802 -15.001 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.565 -13.760 -13.942 1.00 0.00 H new ATOM 1969 N TRP A 129 8.051 -12.026 -11.706 1.00 0.00 N ATOM 1970 CA TRP A 129 9.110 -11.133 -11.249 1.00 0.00 C ATOM 1971 C TRP A 129 9.866 -10.535 -12.430 1.00 0.00 C ATOM 1972 O TRP A 129 10.321 -9.393 -12.372 1.00 0.00 O ATOM 1973 CB TRP A 129 10.079 -11.885 -10.335 1.00 0.00 C ATOM 1974 CG TRP A 129 11.372 -11.160 -10.115 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.582 -11.453 -10.677 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.584 -10.023 -9.272 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.533 -10.566 -10.234 1.00 0.00 N ATOM 1978 CE2 TRP A 129 12.946 -9.678 -9.372 1.00 0.00 C ATOM 1979 CE3 TRP A 129 10.756 -9.260 -8.444 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.496 -8.607 -8.673 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.303 -8.197 -7.751 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.662 -7.877 -7.870 1.00 0.00 C ATOM 0 H TRP A 129 8.122 -12.980 -11.353 1.00 0.00 H new ATOM 0 HA TRP A 129 8.649 -10.320 -10.688 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.599 -12.057 -9.372 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.288 -12.864 -10.766 1.00 0.00 H new ATOM 0 HD1 TRP A 129 12.764 -12.263 -11.368 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.517 -10.568 -10.503 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.707 -9.497 -8.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.544 -8.361 -8.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.672 -7.603 -7.107 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.059 -7.038 -7.317 1.00 0.00 H new ATOM 1993 N GLU A 130 9.996 -11.314 -13.499 1.00 0.00 N ATOM 1994 CA GLU A 130 10.699 -10.859 -14.693 1.00 0.00 C ATOM 1995 C GLU A 130 9.866 -9.834 -15.457 1.00 0.00 C ATOM 1996 O GLU A 130 10.336 -9.228 -16.421 1.00 0.00 O ATOM 1997 CB GLU A 130 11.026 -12.046 -15.602 1.00 0.00 C ATOM 1998 CG GLU A 130 11.612 -13.236 -14.862 1.00 0.00 C ATOM 1999 CD GLU A 130 12.839 -13.804 -15.549 1.00 0.00 C ATOM 2000 OE1 GLU A 130 13.956 -13.330 -15.254 1.00 0.00 O ATOM 2001 OE2 GLU A 130 12.682 -14.722 -16.381 1.00 0.00 O ATOM 0 H GLU A 130 9.624 -12.262 -13.563 1.00 0.00 H new ATOM 0 HA GLU A 130 11.628 -10.384 -14.378 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.118 -12.360 -16.116 1.00 0.00 H new ATOM 0 HB3 GLU A 130 11.730 -11.723 -16.368 1.00 0.00 H new ATOM 0 HG2 GLU A 130 11.875 -12.935 -13.848 1.00 0.00 H new ATOM 0 HG3 GLU A 130 10.854 -14.015 -14.777 1.00 0.00 H new ATOM 2008 N THR A 131 8.624 -9.645 -15.020 1.00 0.00 N ATOM 2009 CA THR A 131 7.724 -8.695 -15.662 1.00 0.00 C ATOM 2010 C THR A 131 7.678 -7.377 -14.897 1.00 0.00 C ATOM 2011 O THR A 131 7.519 -6.310 -15.490 1.00 0.00 O ATOM 2012 CB THR A 131 6.296 -9.261 -15.773 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.304 -10.460 -16.556 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.358 -8.244 -16.405 1.00 0.00 C ATOM 0 H THR A 131 8.219 -10.138 -14.224 1.00 0.00 H new ATOM 0 HA THR A 131 8.115 -8.517 -16.664 1.00 0.00 H new ATOM 0 HB THR A 131 5.939 -9.486 -14.768 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.393 -10.815 -16.620 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.356 -8.667 -16.473 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.331 -7.343 -15.792 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.714 -7.992 -17.404 1.00 0.00 H new ATOM 2022 N ILE A 132 7.820 -7.459 -13.579 1.00 0.00 N ATOM 2023 CA ILE A 132 7.796 -6.272 -12.733 1.00 0.00 C ATOM 2024 C ILE A 132 9.209 -5.791 -12.421 1.00 0.00 C ATOM 2025 O ILE A 132 9.408 -4.655 -11.991 1.00 0.00 O ATOM 2026 CB ILE A 132 7.052 -6.537 -11.411 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.685 -7.167 -11.687 1.00 0.00 C ATOM 2028 CG2 ILE A 132 6.896 -5.245 -10.623 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.131 -7.945 -10.515 1.00 0.00 C ATOM 0 H ILE A 132 7.953 -8.335 -13.073 1.00 0.00 H new ATOM 0 HA ILE A 132 7.266 -5.499 -13.289 1.00 0.00 H new ATOM 0 HB ILE A 132 7.639 -7.235 -10.814 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.980 -6.381 -11.957 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.767 -7.831 -12.547 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.368 -5.449 -9.691 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.880 -4.834 -10.400 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.327 -4.526 -11.212 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.161 -8.363 -10.782 1.00 0.00 H new ATOM 0 HD12 ILE A 132 5.816 -8.753 -10.258 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.016 -7.280 -9.659 1.00 0.00 H new ATOM 2041 N TYR A 133 10.187 -6.663 -12.641 1.00 0.00 N ATOM 2042 CA TYR A 133 11.582 -6.328 -12.383 1.00 0.00 C ATOM 2043 C TYR A 133 11.984 -5.057 -13.125 1.00 0.00 C ATOM 2044 O TYR A 133 12.451 -4.084 -12.534 1.00 0.00 O ATOM 2045 CB TYR A 133 12.492 -7.485 -12.800 1.00 0.00 C ATOM 2046 CG TYR A 133 13.875 -7.045 -13.222 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.629 -6.194 -12.422 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.429 -7.480 -14.420 1.00 0.00 C ATOM 2049 CE1 TYR A 133 15.893 -5.789 -12.804 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.693 -7.081 -14.808 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.422 -6.236 -13.997 1.00 0.00 C ATOM 2052 OH TYR A 133 17.681 -5.835 -14.381 1.00 0.00 O ATOM 0 H TYR A 133 10.039 -7.607 -12.997 1.00 0.00 H new ATOM 0 HA TYR A 133 11.695 -6.153 -11.313 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.580 -8.185 -11.969 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.025 -8.025 -13.623 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.219 -5.844 -11.486 1.00 0.00 H new ATOM 0 HD2 TYR A 133 13.862 -8.141 -15.058 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.464 -5.126 -12.172 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.109 -7.429 -15.742 1.00 0.00 H new ATOM 0 HH TYR A 133 17.904 -6.240 -15.245 1.00 0.00 H new ATOM 2062 N PRO A 134 11.797 -5.065 -14.453 1.00 0.00 N ATOM 2063 CA PRO A 134 12.132 -3.921 -15.307 1.00 0.00 C ATOM 2064 C PRO A 134 11.509 -2.622 -14.805 1.00 0.00 C ATOM 2065 O PRO A 134 12.179 -1.592 -14.727 1.00 0.00 O ATOM 2066 CB PRO A 134 11.542 -4.307 -16.665 1.00 0.00 C ATOM 2067 CG PRO A 134 11.529 -5.797 -16.663 1.00 0.00 C ATOM 2068 CD PRO A 134 11.244 -6.191 -15.225 1.00 0.00 C ATOM 0 HA PRO A 134 13.205 -3.731 -15.332 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.538 -3.903 -16.790 1.00 0.00 H new ATOM 0 HB3 PRO A 134 12.146 -3.918 -17.484 1.00 0.00 H new ATOM 0 HG2 PRO A 134 10.765 -6.185 -17.336 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.484 -6.200 -17.000 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.176 -6.317 -15.046 1.00 0.00 H new ATOM 0 HD3 PRO A 134 11.724 -7.134 -14.963 1.00 0.00 H new ATOM 2076 N CYS A 135 10.226 -2.679 -14.467 1.00 0.00 N ATOM 2077 CA CYS A 135 9.513 -1.506 -13.973 1.00 0.00 C ATOM 2078 C CYS A 135 9.118 -1.686 -12.511 1.00 0.00 C ATOM 2079 O CYS A 135 7.934 -1.691 -12.172 1.00 0.00 O ATOM 2080 CB CYS A 135 8.268 -1.246 -14.822 1.00 0.00 C ATOM 2081 SG CYS A 135 8.571 -1.275 -16.604 1.00 0.00 S ATOM 0 H CYS A 135 9.658 -3.524 -14.526 1.00 0.00 H new ATOM 0 HA CYS A 135 10.180 -0.647 -14.047 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.514 -1.995 -14.580 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.852 -0.276 -14.551 1.00 0.00 H new ATOM 0 HG CYS A 135 7.459 -1.047 -17.237 1.00 0.00 H new ATOM 2087 N LEU A 136 10.117 -1.834 -11.648 1.00 0.00 N ATOM 2088 CA LEU A 136 9.874 -2.016 -10.221 1.00 0.00 C ATOM 2089 C LEU A 136 9.715 -0.671 -9.519 1.00 0.00 C ATOM 2090 O LEU A 136 10.015 0.377 -10.091 1.00 0.00 O ATOM 2091 CB LEU A 136 11.022 -2.803 -9.584 1.00 0.00 C ATOM 2092 CG LEU A 136 10.679 -4.211 -9.094 1.00 0.00 C ATOM 2093 CD1 LEU A 136 11.875 -4.838 -8.394 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.474 -4.174 -8.165 1.00 0.00 C ATOM 0 H LEU A 136 11.102 -1.832 -11.911 1.00 0.00 H new ATOM 0 HA LEU A 136 8.947 -2.578 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.831 -2.880 -10.311 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.405 -2.229 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 136 10.427 -4.825 -9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.613 -5.839 -8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.712 -4.900 -9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.158 -4.225 -7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.245 -5.184 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.698 -3.545 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.615 -3.767 -8.699 1.00 0.00 H new ATOM 2106 N SER A 137 9.244 -0.709 -8.277 1.00 0.00 N ATOM 2107 CA SER A 137 9.044 0.507 -7.498 1.00 0.00 C ATOM 2108 C SER A 137 10.265 0.807 -6.635 1.00 0.00 C ATOM 2109 O SER A 137 11.091 -0.064 -6.360 1.00 0.00 O ATOM 2110 CB SER A 137 7.802 0.373 -6.615 1.00 0.00 C ATOM 2111 OG SER A 137 8.068 0.806 -5.292 1.00 0.00 O ATOM 0 H SER A 137 8.994 -1.569 -7.789 1.00 0.00 H new ATOM 0 HA SER A 137 8.900 1.334 -8.193 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.987 0.961 -7.037 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.472 -0.666 -6.602 1.00 0.00 H new ATOM 0 HG SER A 137 8.027 0.040 -4.683 1.00 0.00 H new ATOM 2117 N PRO A 138 10.384 2.069 -6.197 1.00 0.00 N ATOM 2118 CA PRO A 138 11.501 2.514 -5.359 1.00 0.00 C ATOM 2119 C PRO A 138 11.439 1.929 -3.952 1.00 0.00 C ATOM 2120 O PRO A 138 10.688 2.407 -3.102 1.00 0.00 O ATOM 2121 CB PRO A 138 11.327 4.034 -5.313 1.00 0.00 C ATOM 2122 CG PRO A 138 9.874 4.256 -5.556 1.00 0.00 C ATOM 2123 CD PRO A 138 9.437 3.159 -6.487 1.00 0.00 C ATOM 0 HA PRO A 138 12.463 2.193 -5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.633 4.439 -4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.935 4.525 -6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.313 4.222 -4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.698 5.236 -5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.407 2.858 -6.297 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.491 3.472 -7.530 1.00 0.00 H new ATOM 2131 N LYS A 139 12.234 0.891 -3.713 1.00 0.00 N ATOM 2132 CA LYS A 139 12.272 0.240 -2.409 1.00 0.00 C ATOM 2133 C LYS A 139 13.134 1.032 -1.430 1.00 0.00 C ATOM 2134 O LYS A 139 14.155 1.604 -1.811 1.00 0.00 O ATOM 2135 CB LYS A 139 12.812 -1.185 -2.542 1.00 0.00 C ATOM 2136 CG LYS A 139 11.728 -2.229 -2.753 1.00 0.00 C ATOM 2137 CD LYS A 139 12.283 -3.639 -2.641 1.00 0.00 C ATOM 2138 CE LYS A 139 12.292 -4.121 -1.199 1.00 0.00 C ATOM 2139 NZ LYS A 139 13.519 -3.684 -0.476 1.00 0.00 N ATOM 0 H LYS A 139 12.861 0.483 -4.406 1.00 0.00 H new ATOM 0 HA LYS A 139 11.254 0.201 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.510 -1.224 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 139 13.377 -1.436 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.938 -2.088 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.276 -2.092 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 139 11.683 -4.317 -3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 139 13.297 -3.665 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 139 11.411 -3.739 -0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 139 12.227 -5.209 -1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 13.768 -4.391 0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 14.304 -3.587 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 13.343 -2.768 -0.016 1.00 0.00 H new ATOM 2153 N SER A 140 12.717 1.059 -0.169 1.00 0.00 N ATOM 2154 CA SER A 140 13.450 1.782 0.864 1.00 0.00 C ATOM 2155 C SER A 140 13.728 0.882 2.064 1.00 0.00 C ATOM 2156 O SER A 140 12.832 0.208 2.570 1.00 0.00 O ATOM 2157 CB SER A 140 12.662 3.016 1.309 1.00 0.00 C ATOM 2158 OG SER A 140 13.501 3.943 1.976 1.00 0.00 O ATOM 0 H SER A 140 11.875 0.588 0.163 1.00 0.00 H new ATOM 0 HA SER A 140 14.403 2.101 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.206 3.492 0.441 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.850 2.714 1.971 1.00 0.00 H new ATOM 0 HG SER A 140 13.302 3.933 2.936 1.00 0.00 H new ATOM 2164 N GLY A 141 14.979 0.877 2.514 1.00 0.00 N ATOM 2165 CA GLY A 141 15.355 0.057 3.651 1.00 0.00 C ATOM 2166 C GLY A 141 16.508 -0.876 3.337 1.00 0.00 C ATOM 2167 O GLY A 141 17.043 -0.885 2.228 1.00 0.00 O ATOM 0 H GLY A 141 15.739 1.426 2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 141 15.631 0.702 4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 141 14.494 -0.529 3.973 1.00 0.00 H new ATOM 2171 N PRO A 142 16.909 -1.683 4.331 1.00 0.00 N ATOM 2172 CA PRO A 142 18.011 -2.637 4.179 1.00 0.00 C ATOM 2173 C PRO A 142 17.653 -3.794 3.253 1.00 0.00 C ATOM 2174 O PRO A 142 16.484 -4.157 3.121 1.00 0.00 O ATOM 2175 CB PRO A 142 18.239 -3.145 5.605 1.00 0.00 C ATOM 2176 CG PRO A 142 16.929 -2.956 6.288 1.00 0.00 C ATOM 2177 CD PRO A 142 16.318 -1.725 5.678 1.00 0.00 C ATOM 0 HA PRO A 142 18.890 -2.175 3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 142 18.540 -4.193 5.609 1.00 0.00 H new ATOM 0 HB3 PRO A 142 19.030 -2.584 6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 142 16.285 -3.824 6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 142 17.063 -2.833 7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 142 15.231 -1.794 5.638 1.00 0.00 H new ATOM 0 HD3 PRO A 142 16.560 -0.830 6.251 1.00 0.00 H new ATOM 2185 N SER A 143 18.665 -4.370 2.613 1.00 0.00 N ATOM 2186 CA SER A 143 18.456 -5.484 1.696 1.00 0.00 C ATOM 2187 C SER A 143 18.626 -6.819 2.415 1.00 0.00 C ATOM 2188 O SER A 143 19.739 -7.210 2.766 1.00 0.00 O ATOM 2189 CB SER A 143 19.433 -5.397 0.522 1.00 0.00 C ATOM 2190 OG SER A 143 19.631 -6.668 -0.073 1.00 0.00 O ATOM 0 H SER A 143 19.639 -4.083 2.713 1.00 0.00 H new ATOM 0 HA SER A 143 17.436 -5.422 1.316 1.00 0.00 H new ATOM 0 HB2 SER A 143 19.050 -4.699 -0.223 1.00 0.00 H new ATOM 0 HB3 SER A 143 20.388 -5.001 0.868 1.00 0.00 H new ATOM 0 HG SER A 143 20.258 -6.585 -0.821 1.00 0.00 H new ATOM 2196 N SER A 144 17.513 -7.514 2.631 1.00 0.00 N ATOM 2197 CA SER A 144 17.537 -8.803 3.311 1.00 0.00 C ATOM 2198 C SER A 144 16.277 -9.605 3.001 1.00 0.00 C ATOM 2199 O SER A 144 15.160 -9.110 3.151 1.00 0.00 O ATOM 2200 CB SER A 144 17.670 -8.604 4.822 1.00 0.00 C ATOM 2201 OG SER A 144 16.419 -8.283 5.406 1.00 0.00 O ATOM 0 H SER A 144 16.584 -7.205 2.345 1.00 0.00 H new ATOM 0 HA SER A 144 18.400 -9.361 2.948 1.00 0.00 H new ATOM 0 HB2 SER A 144 18.066 -9.511 5.278 1.00 0.00 H new ATOM 0 HB3 SER A 144 18.385 -7.807 5.026 1.00 0.00 H new ATOM 0 HG SER A 144 15.714 -8.351 4.728 1.00 0.00 H new ATOM 2207 N GLY A 145 16.464 -10.848 2.568 1.00 0.00 N ATOM 2208 CA GLY A 145 15.335 -11.699 2.243 1.00 0.00 C ATOM 2209 C GLY A 145 15.656 -13.172 2.397 1.00 0.00 C ATOM 2210 O GLY A 145 14.930 -14.028 1.891 1.00 0.00 O ATOM 0 H GLY A 145 17.378 -11.281 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 145 14.494 -11.444 2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 145 15.020 -11.504 1.218 1.00 0.00 H new TER 2214 GLY A 145