USER MOD reduce.3.24.130724 H: found=0, std=0, add=1142, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1140 hydrogens (55 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 77 SER OG : rot -123:sc= 1.56 USER MOD Set 1.2: A 300 PBU O6 : rot -17:sc= 1.92 USER MOD Set 2.1: A 29 TYR OH : rot 30:sc= -1.52! USER MOD Set 2.2: A 97 THR OG1 : rot -113:sc= 0.951 USER MOD Set 3.1: A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.115) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 0.479 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.481 K(o=-0.48,f=-8.9!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.733 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.383 USER MOD Single : A 58 GLN : amide:sc= -1.68 K(o=-1.7,f=-1.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.586 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0654 K(o=-0.065,f=-1.2!) USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= -0.234 (180deg=-0.511) USER MOD Single : A 80 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.1) USER MOD Single : A 81 THR OG1 : rot 69:sc= 0.444 USER MOD Single : A 83 CYS SG : rot 150:sc= -0.382 USER MOD Single : A 87 CYS SG : rot -160:sc= -0.496 USER MOD Single : A 89 HIS : no HD1:sc= 0.828 K(o=0.83,f=-2.7!) USER MOD Single : A 93 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0503) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 107 HIS : no HD1:sc= -0.837 K(o=-0.84,f=-2.5!) USER MOD Single : A 112 THR OG1 : rot 74:sc= 0.227 USER MOD Single : A 114 THR OG1 : rot -50:sc= 0.967 USER MOD Single : A 117 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0222) USER MOD Single : A 118 MET CE :methyl 174:sc= 0 (180deg=-0.0684) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= -0.459 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O2 : rot -157:sc= 0.0657 USER MOD Single : A 300 PBU O3 : rot -154:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 9.694 8.088 7.022 1.00 51.53 N ATOM 2 CA GLY A 2 9.880 8.908 8.205 1.00 62.34 C ATOM 3 C GLY A 2 9.287 8.275 9.447 1.00 21.24 C ATOM 4 O GLY A 2 9.261 7.051 9.577 1.00 51.32 O ATOM 0 HA2 GLY A 2 10.945 9.079 8.361 1.00 62.34 H new ATOM 0 HA3 GLY A 2 9.421 9.883 8.043 1.00 62.34 H new ATOM 8 N ALA A 3 8.811 9.109 10.366 1.00 4.12 N ATOM 9 CA ALA A 3 8.216 8.625 11.604 1.00 33.33 C ATOM 10 C ALA A 3 6.712 8.872 11.624 1.00 73.31 C ATOM 11 O ALA A 3 6.150 9.261 12.648 1.00 51.42 O ATOM 12 CB ALA A 3 8.877 9.287 12.804 1.00 70.21 C ATOM 0 H ALA A 3 8.826 10.125 10.275 1.00 4.12 H new ATOM 0 HA ALA A 3 8.382 7.549 11.660 1.00 33.33 H new ATOM 0 HB1 ALA A 3 8.421 8.915 13.722 1.00 70.21 H new ATOM 0 HB2 ALA A 3 9.942 9.054 12.807 1.00 70.21 H new ATOM 0 HB3 ALA A 3 8.742 10.367 12.744 1.00 70.21 H new ATOM 18 N ARG A 4 6.064 8.644 10.486 1.00 43.31 N ATOM 19 CA ARG A 4 4.625 8.844 10.372 1.00 14.51 C ATOM 20 C ARG A 4 3.893 7.508 10.308 1.00 75.51 C ATOM 21 O ARG A 4 4.340 6.575 9.641 1.00 12.10 O ATOM 22 CB ARG A 4 4.300 9.675 9.129 1.00 13.44 C ATOM 23 CG ARG A 4 3.663 11.019 9.445 1.00 71.23 C ATOM 24 CD ARG A 4 3.750 11.968 8.260 1.00 45.04 C ATOM 25 NE ARG A 4 2.967 13.182 8.472 1.00 40.42 N ATOM 26 CZ ARG A 4 2.649 14.031 7.501 1.00 74.03 C ATOM 27 NH1 ARG A 4 3.043 13.799 6.257 1.00 24.33 N ATOM 28 NH2 ARG A 4 1.932 15.115 7.774 1.00 71.35 N ATOM 0 H ARG A 4 6.514 8.320 9.630 1.00 43.31 H new ATOM 0 HA ARG A 4 4.288 9.381 11.259 1.00 14.51 H new ATOM 0 HB2 ARG A 4 5.217 9.841 8.563 1.00 13.44 H new ATOM 0 HB3 ARG A 4 3.628 9.106 8.487 1.00 13.44 H new ATOM 0 HG2 ARG A 4 2.618 10.872 9.719 1.00 71.23 H new ATOM 0 HG3 ARG A 4 4.159 11.465 10.307 1.00 71.23 H new ATOM 0 HD2 ARG A 4 4.792 12.235 8.085 1.00 45.04 H new ATOM 0 HD3 ARG A 4 3.396 11.461 7.363 1.00 45.04 H new ATOM 0 HE ARG A 4 2.646 13.390 9.418 1.00 40.42 H new ATOM 0 HH11 ARG A 4 3.592 12.967 6.043 1.00 24.33 H new ATOM 0 HH12 ARG A 4 2.797 14.453 5.514 1.00 24.33 H new ATOM 0 HH21 ARG A 4 1.625 15.296 8.730 1.00 71.35 H new ATOM 0 HH22 ARG A 4 1.688 15.766 7.028 1.00 71.35 H new ATOM 42 N ASN A 5 2.766 7.421 11.007 1.00 35.15 N ATOM 43 CA ASN A 5 1.972 6.198 11.030 1.00 20.52 C ATOM 44 C ASN A 5 1.465 5.852 9.634 1.00 71.53 C ATOM 45 O ASN A 5 0.555 6.498 9.115 1.00 62.15 O ATOM 46 CB ASN A 5 0.792 6.349 11.992 1.00 55.44 C ATOM 47 CG ASN A 5 0.536 5.090 12.797 1.00 21.11 C ATOM 48 OD1 ASN A 5 0.867 5.019 13.981 1.00 72.41 O ATOM 49 ND2 ASN A 5 -0.055 4.088 12.156 1.00 35.45 N ATOM 0 H ASN A 5 2.382 8.183 11.565 1.00 35.15 H new ATOM 0 HA ASN A 5 2.611 5.386 11.376 1.00 20.52 H new ATOM 0 HB2 ASN A 5 0.985 7.178 12.672 1.00 55.44 H new ATOM 0 HB3 ASN A 5 -0.104 6.603 11.426 1.00 55.44 H new ATOM 0 HD21 ASN A 5 -0.252 3.215 12.645 1.00 35.45 H new ATOM 0 HD22 ASN A 5 -0.312 4.191 11.174 1.00 35.45 H new ATOM 56 N SER A 6 2.060 4.827 9.031 1.00 74.22 N ATOM 57 CA SER A 6 1.671 4.397 7.694 1.00 60.53 C ATOM 58 C SER A 6 1.938 5.495 6.670 1.00 60.14 C ATOM 59 O SER A 6 2.432 6.571 7.010 1.00 15.12 O ATOM 60 CB SER A 6 0.191 4.009 7.669 1.00 3.13 C ATOM 61 OG SER A 6 -0.129 3.149 8.749 1.00 11.14 O ATOM 0 H SER A 6 2.813 4.280 9.448 1.00 74.22 H new ATOM 0 HA SER A 6 2.272 3.526 7.431 1.00 60.53 H new ATOM 0 HB2 SER A 6 -0.425 4.907 7.720 1.00 3.13 H new ATOM 0 HB3 SER A 6 -0.043 3.516 6.726 1.00 3.13 H new ATOM 0 HG SER A 6 -1.080 2.917 8.712 1.00 11.14 H new ATOM 67 N VAL A 7 1.608 5.217 5.412 1.00 63.41 N ATOM 68 CA VAL A 7 1.811 6.181 4.338 1.00 44.42 C ATOM 69 C VAL A 7 0.482 6.602 3.719 1.00 23.23 C ATOM 70 O VAL A 7 0.272 7.777 3.414 1.00 34.33 O ATOM 71 CB VAL A 7 2.720 5.609 3.234 1.00 43.21 C ATOM 72 CG1 VAL A 7 2.897 6.619 2.110 1.00 74.24 C ATOM 73 CG2 VAL A 7 4.066 5.201 3.811 1.00 62.10 C ATOM 0 H VAL A 7 1.199 4.332 5.112 1.00 63.41 H new ATOM 0 HA VAL A 7 2.294 7.051 4.782 1.00 44.42 H new ATOM 0 HB VAL A 7 2.243 4.721 2.820 1.00 43.21 H new ATOM 0 HG11 VAL A 7 3.542 6.197 1.340 1.00 74.24 H new ATOM 0 HG12 VAL A 7 1.925 6.857 1.679 1.00 74.24 H new ATOM 0 HG13 VAL A 7 3.351 7.528 2.505 1.00 74.24 H new ATOM 0 HG21 VAL A 7 4.695 4.799 3.017 1.00 62.10 H new ATOM 0 HG22 VAL A 7 4.551 6.071 4.253 1.00 62.10 H new ATOM 0 HG23 VAL A 7 3.918 4.440 4.577 1.00 62.10 H new ATOM 83 N LEU A 8 -0.411 5.637 3.538 1.00 31.30 N ATOM 84 CA LEU A 8 -1.722 5.907 2.956 1.00 24.33 C ATOM 85 C LEU A 8 -2.690 6.429 4.013 1.00 41.50 C ATOM 86 O LEU A 8 -2.345 6.525 5.191 1.00 74.33 O ATOM 87 CB LEU A 8 -2.287 4.639 2.313 1.00 3.14 C ATOM 88 CG LEU A 8 -2.033 4.476 0.814 1.00 42.02 C ATOM 89 CD1 LEU A 8 -2.598 3.155 0.317 1.00 53.25 C ATOM 90 CD2 LEU A 8 -2.636 5.641 0.042 1.00 43.25 C ATOM 0 H LEU A 8 -0.252 4.660 3.785 1.00 31.30 H new ATOM 0 HA LEU A 8 -1.601 6.673 2.190 1.00 24.33 H new ATOM 0 HB2 LEU A 8 -1.866 3.776 2.828 1.00 3.14 H new ATOM 0 HB3 LEU A 8 -3.363 4.618 2.483 1.00 3.14 H new ATOM 0 HG LEU A 8 -0.956 4.472 0.645 1.00 42.02 H new ATOM 0 HD11 LEU A 8 -2.408 3.057 -0.752 1.00 53.25 H new ATOM 0 HD12 LEU A 8 -2.120 2.332 0.848 1.00 53.25 H new ATOM 0 HD13 LEU A 8 -3.673 3.128 0.498 1.00 53.25 H new ATOM 0 HD21 LEU A 8 -2.446 5.509 -1.023 1.00 43.25 H new ATOM 0 HD22 LEU A 8 -3.711 5.676 0.217 1.00 43.25 H new ATOM 0 HD23 LEU A 8 -2.183 6.574 0.378 1.00 43.25 H new ATOM 102 N ARG A 9 -3.902 6.763 3.584 1.00 4.42 N ATOM 103 CA ARG A 9 -4.920 7.276 4.493 1.00 72.23 C ATOM 104 C ARG A 9 -5.388 6.187 5.454 1.00 33.24 C ATOM 105 O ARG A 9 -4.988 5.028 5.339 1.00 41.42 O ATOM 106 CB ARG A 9 -6.112 7.820 3.704 1.00 43.01 C ATOM 107 CG ARG A 9 -5.939 9.264 3.259 1.00 73.43 C ATOM 108 CD ARG A 9 -6.982 9.656 2.224 1.00 31.13 C ATOM 109 NE ARG A 9 -7.945 10.618 2.755 1.00 64.54 N ATOM 110 CZ ARG A 9 -8.890 11.193 2.020 1.00 72.54 C ATOM 111 NH1 ARG A 9 -8.999 10.903 0.730 1.00 50.45 N ATOM 112 NH2 ARG A 9 -9.729 12.058 2.574 1.00 13.01 N ATOM 0 H ARG A 9 -4.203 6.688 2.612 1.00 4.42 H new ATOM 0 HA ARG A 9 -4.478 8.085 5.074 1.00 72.23 H new ATOM 0 HB2 ARG A 9 -6.272 7.194 2.826 1.00 43.01 H new ATOM 0 HB3 ARG A 9 -7.009 7.743 4.318 1.00 43.01 H new ATOM 0 HG2 ARG A 9 -6.016 9.924 4.123 1.00 73.43 H new ATOM 0 HG3 ARG A 9 -4.941 9.400 2.842 1.00 73.43 H new ATOM 0 HD2 ARG A 9 -6.486 10.083 1.353 1.00 31.13 H new ATOM 0 HD3 ARG A 9 -7.509 8.764 1.885 1.00 31.13 H new ATOM 0 HE ARG A 9 -7.888 10.861 3.744 1.00 64.54 H new ATOM 0 HH11 ARG A 9 -8.356 10.237 0.301 1.00 50.45 H new ATOM 0 HH12 ARG A 9 -9.726 11.346 0.167 1.00 50.45 H new ATOM 0 HH21 ARG A 9 -9.649 12.282 3.566 1.00 13.01 H new ATOM 0 HH22 ARG A 9 -10.454 12.499 2.008 1.00 13.01 H new ATOM 126 N GLY A 10 -6.238 6.567 6.403 1.00 21.54 N ATOM 127 CA GLY A 10 -6.745 5.611 7.371 1.00 43.43 C ATOM 128 C GLY A 10 -7.720 4.626 6.756 1.00 12.23 C ATOM 129 O GLY A 10 -7.526 3.413 6.842 1.00 43.21 O ATOM 0 H GLY A 10 -6.585 7.519 6.519 1.00 21.54 H new ATOM 0 HA2 GLY A 10 -5.910 5.065 7.810 1.00 43.43 H new ATOM 0 HA3 GLY A 10 -7.237 6.147 8.183 1.00 43.43 H new ATOM 133 N LYS A 11 -8.772 5.147 6.135 1.00 51.04 N ATOM 134 CA LYS A 11 -9.783 4.306 5.503 1.00 0.42 C ATOM 135 C LYS A 11 -9.138 3.298 4.558 1.00 30.10 C ATOM 136 O LYS A 11 -9.574 2.151 4.465 1.00 14.21 O ATOM 137 CB LYS A 11 -10.788 5.169 4.738 1.00 42.50 C ATOM 138 CG LYS A 11 -10.150 6.050 3.677 1.00 73.11 C ATOM 139 CD LYS A 11 -10.878 7.377 3.543 1.00 51.23 C ATOM 140 CE LYS A 11 -11.642 7.463 2.230 1.00 2.13 C ATOM 141 NZ LYS A 11 -11.953 8.872 1.860 1.00 20.50 N ATOM 0 H LYS A 11 -8.948 6.149 6.055 1.00 51.04 H new ATOM 0 HA LYS A 11 -10.307 3.759 6.287 1.00 0.42 H new ATOM 0 HB2 LYS A 11 -11.525 4.520 4.265 1.00 42.50 H new ATOM 0 HB3 LYS A 11 -11.326 5.799 5.446 1.00 42.50 H new ATOM 0 HG2 LYS A 11 -9.106 6.231 3.933 1.00 73.11 H new ATOM 0 HG3 LYS A 11 -10.158 5.531 2.719 1.00 73.11 H new ATOM 0 HD2 LYS A 11 -11.570 7.500 4.376 1.00 51.23 H new ATOM 0 HD3 LYS A 11 -10.160 8.195 3.602 1.00 51.23 H new ATOM 0 HE2 LYS A 11 -11.054 7.001 1.437 1.00 2.13 H new ATOM 0 HE3 LYS A 11 -12.569 6.896 2.312 1.00 2.13 H new ATOM 0 HZ1 LYS A 11 -12.474 8.888 0.960 1.00 20.50 H new ATOM 0 HZ2 LYS A 11 -12.535 9.306 2.604 1.00 20.50 H new ATOM 0 HZ3 LYS A 11 -11.067 9.407 1.757 1.00 20.50 H new ATOM 155 N LYS A 12 -8.095 3.733 3.858 1.00 55.11 N ATOM 156 CA LYS A 12 -7.387 2.869 2.922 1.00 72.11 C ATOM 157 C LYS A 12 -6.504 1.871 3.663 1.00 25.25 C ATOM 158 O LYS A 12 -6.435 0.698 3.299 1.00 74.54 O ATOM 159 CB LYS A 12 -6.536 3.707 1.965 1.00 22.11 C ATOM 160 CG LYS A 12 -7.353 4.502 0.962 1.00 52.13 C ATOM 161 CD LYS A 12 -6.911 4.221 -0.465 1.00 12.13 C ATOM 162 CE LYS A 12 -7.202 5.400 -1.381 1.00 62.11 C ATOM 163 NZ LYS A 12 -8.136 5.031 -2.481 1.00 22.20 N ATOM 0 H LYS A 12 -7.722 4.680 3.922 1.00 55.11 H new ATOM 0 HA LYS A 12 -8.129 2.314 2.348 1.00 72.11 H new ATOM 0 HB2 LYS A 12 -5.921 4.394 2.546 1.00 22.11 H new ATOM 0 HB3 LYS A 12 -5.855 3.048 1.426 1.00 22.11 H new ATOM 0 HG2 LYS A 12 -8.409 4.253 1.073 1.00 52.13 H new ATOM 0 HG3 LYS A 12 -7.253 5.567 1.172 1.00 52.13 H new ATOM 0 HD2 LYS A 12 -5.843 4.002 -0.480 1.00 12.13 H new ATOM 0 HD3 LYS A 12 -7.423 3.334 -0.838 1.00 12.13 H new ATOM 0 HE2 LYS A 12 -7.631 6.215 -0.798 1.00 62.11 H new ATOM 0 HE3 LYS A 12 -6.268 5.769 -1.806 1.00 62.11 H new ATOM 0 HZ1 LYS A 12 -8.309 5.861 -3.083 1.00 22.20 H new ATOM 0 HZ2 LYS A 12 -7.716 4.271 -3.053 1.00 22.20 H new ATOM 0 HZ3 LYS A 12 -9.036 4.703 -2.077 1.00 22.20 H new ATOM 177 N ALA A 13 -5.831 2.345 4.707 1.00 61.23 N ATOM 178 CA ALA A 13 -4.955 1.492 5.502 1.00 2.12 C ATOM 179 C ALA A 13 -5.692 0.249 5.987 1.00 43.12 C ATOM 180 O ALA A 13 -5.122 -0.841 6.039 1.00 24.01 O ATOM 181 CB ALA A 13 -4.393 2.270 6.683 1.00 62.14 C ATOM 0 H ALA A 13 -5.876 3.314 5.022 1.00 61.23 H new ATOM 0 HA ALA A 13 -4.130 1.168 4.868 1.00 2.12 H new ATOM 0 HB1 ALA A 13 -3.741 1.622 7.268 1.00 62.14 H new ATOM 0 HB2 ALA A 13 -3.823 3.124 6.318 1.00 62.14 H new ATOM 0 HB3 ALA A 13 -5.212 2.622 7.310 1.00 62.14 H new ATOM 187 N ASP A 14 -6.961 0.419 6.342 1.00 24.35 N ATOM 188 CA ASP A 14 -7.776 -0.690 6.823 1.00 22.21 C ATOM 189 C ASP A 14 -7.810 -1.823 5.801 1.00 13.54 C ATOM 190 O ASP A 14 -8.059 -2.977 6.148 1.00 15.55 O ATOM 191 CB ASP A 14 -9.197 -0.213 7.124 1.00 60.31 C ATOM 192 CG ASP A 14 -9.678 -0.653 8.493 1.00 42.44 C ATOM 193 OD1 ASP A 14 -9.440 0.086 9.471 1.00 43.42 O ATOM 194 OD2 ASP A 14 -10.292 -1.735 8.586 1.00 34.32 O ATOM 0 H ASP A 14 -7.447 1.315 6.306 1.00 24.35 H new ATOM 0 HA ASP A 14 -7.327 -1.068 7.741 1.00 22.21 H new ATOM 0 HB2 ASP A 14 -9.233 0.875 7.062 1.00 60.31 H new ATOM 0 HB3 ASP A 14 -9.875 -0.598 6.363 1.00 60.31 H new ATOM 199 N GLU A 15 -7.560 -1.483 4.540 1.00 21.04 N ATOM 200 CA GLU A 15 -7.565 -2.471 3.469 1.00 74.25 C ATOM 201 C GLU A 15 -6.161 -3.018 3.226 1.00 73.04 C ATOM 202 O GLU A 15 -5.967 -4.228 3.103 1.00 12.32 O ATOM 203 CB GLU A 15 -8.114 -1.855 2.180 1.00 75.54 C ATOM 204 CG GLU A 15 -9.437 -2.456 1.733 1.00 2.52 C ATOM 205 CD GLU A 15 -9.341 -3.946 1.468 1.00 2.15 C ATOM 206 OE1 GLU A 15 -9.423 -4.726 2.439 1.00 62.44 O ATOM 207 OE2 GLU A 15 -9.184 -4.330 0.290 1.00 32.43 O ATOM 0 H GLU A 15 -7.352 -0.532 4.236 1.00 21.04 H new ATOM 0 HA GLU A 15 -8.210 -3.296 3.773 1.00 74.25 H new ATOM 0 HB2 GLU A 15 -8.243 -0.783 2.326 1.00 75.54 H new ATOM 0 HB3 GLU A 15 -7.380 -1.983 1.385 1.00 75.54 H new ATOM 0 HG2 GLU A 15 -10.191 -2.275 2.499 1.00 2.52 H new ATOM 0 HG3 GLU A 15 -9.774 -1.951 0.828 1.00 2.52 H new ATOM 214 N LEU A 16 -5.187 -2.119 3.157 1.00 3.05 N ATOM 215 CA LEU A 16 -3.799 -2.510 2.929 1.00 13.24 C ATOM 216 C LEU A 16 -3.288 -3.390 4.066 1.00 70.12 C ATOM 217 O LEU A 16 -2.690 -4.439 3.829 1.00 50.11 O ATOM 218 CB LEU A 16 -2.915 -1.269 2.793 1.00 12.11 C ATOM 219 CG LEU A 16 -1.520 -1.500 2.210 1.00 20.33 C ATOM 220 CD1 LEU A 16 -0.610 -2.144 3.245 1.00 1.24 C ATOM 221 CD2 LEU A 16 -1.601 -2.361 0.959 1.00 61.44 C ATOM 0 H LEU A 16 -5.331 -1.114 3.255 1.00 3.05 H new ATOM 0 HA LEU A 16 -3.756 -3.083 2.003 1.00 13.24 H new ATOM 0 HB2 LEU A 16 -3.434 -0.545 2.165 1.00 12.11 H new ATOM 0 HB3 LEU A 16 -2.805 -0.816 3.778 1.00 12.11 H new ATOM 0 HG LEU A 16 -1.097 -0.534 1.935 1.00 20.33 H new ATOM 0 HD11 LEU A 16 0.378 -2.301 2.813 1.00 1.24 H new ATOM 0 HD12 LEU A 16 -0.527 -1.490 4.113 1.00 1.24 H new ATOM 0 HD13 LEU A 16 -1.029 -3.103 3.551 1.00 1.24 H new ATOM 0 HD21 LEU A 16 -0.599 -2.515 0.558 1.00 61.44 H new ATOM 0 HD22 LEU A 16 -2.044 -3.325 1.209 1.00 61.44 H new ATOM 0 HD23 LEU A 16 -2.218 -1.861 0.212 1.00 61.44 H new ATOM 233 N GLU A 17 -3.530 -2.956 5.299 1.00 42.01 N ATOM 234 CA GLU A 17 -3.094 -3.706 6.471 1.00 43.32 C ATOM 235 C GLU A 17 -3.798 -5.058 6.544 1.00 44.51 C ATOM 236 O GLU A 17 -3.374 -5.952 7.276 1.00 3.01 O ATOM 237 CB GLU A 17 -3.368 -2.906 7.746 1.00 51.22 C ATOM 238 CG GLU A 17 -2.419 -1.738 7.948 1.00 43.22 C ATOM 239 CD GLU A 17 -1.736 -1.767 9.301 1.00 13.15 C ATOM 240 OE1 GLU A 17 -2.429 -2.025 10.308 1.00 23.12 O ATOM 241 OE2 GLU A 17 -0.511 -1.532 9.354 1.00 14.44 O ATOM 0 H GLU A 17 -4.025 -2.090 5.512 1.00 42.01 H new ATOM 0 HA GLU A 17 -2.021 -3.879 6.383 1.00 43.32 H new ATOM 0 HB2 GLU A 17 -4.391 -2.531 7.716 1.00 51.22 H new ATOM 0 HB3 GLU A 17 -3.298 -3.573 8.605 1.00 51.22 H new ATOM 0 HG2 GLU A 17 -1.663 -1.750 7.163 1.00 43.22 H new ATOM 0 HG3 GLU A 17 -2.971 -0.804 7.844 1.00 43.22 H new ATOM 248 N ARG A 18 -4.877 -5.198 5.780 1.00 62.53 N ATOM 249 CA ARG A 18 -5.641 -6.440 5.760 1.00 43.13 C ATOM 250 C ARG A 18 -5.052 -7.425 4.753 1.00 41.42 C ATOM 251 O ARG A 18 -4.898 -8.610 5.047 1.00 62.11 O ATOM 252 CB ARG A 18 -7.104 -6.157 5.415 1.00 41.43 C ATOM 253 CG ARG A 18 -8.051 -6.331 6.591 1.00 42.31 C ATOM 254 CD ARG A 18 -8.736 -7.688 6.560 1.00 70.43 C ATOM 255 NE ARG A 18 -9.524 -7.932 7.764 1.00 34.14 N ATOM 256 CZ ARG A 18 -10.185 -9.062 7.994 1.00 43.12 C ATOM 257 NH1 ARG A 18 -10.151 -10.046 7.107 1.00 31.21 N ATOM 258 NH2 ARG A 18 -10.882 -9.209 9.114 1.00 5.42 N ATOM 0 H ARG A 18 -5.241 -4.468 5.168 1.00 62.53 H new ATOM 0 HA ARG A 18 -5.588 -6.886 6.753 1.00 43.13 H new ATOM 0 HB2 ARG A 18 -7.189 -5.138 5.038 1.00 41.43 H new ATOM 0 HB3 ARG A 18 -7.414 -6.822 4.609 1.00 41.43 H new ATOM 0 HG2 ARG A 18 -7.498 -6.223 7.524 1.00 42.31 H new ATOM 0 HG3 ARG A 18 -8.803 -5.542 6.573 1.00 42.31 H new ATOM 0 HD2 ARG A 18 -9.384 -7.747 5.685 1.00 70.43 H new ATOM 0 HD3 ARG A 18 -7.985 -8.471 6.454 1.00 70.43 H new ATOM 0 HE ARG A 18 -9.570 -7.195 8.468 1.00 34.14 H new ATOM 0 HH11 ARG A 18 -9.617 -9.937 6.245 1.00 31.21 H new ATOM 0 HH12 ARG A 18 -10.659 -10.912 7.286 1.00 31.21 H new ATOM 0 HH21 ARG A 18 -10.911 -8.454 9.799 1.00 5.42 H new ATOM 0 HH22 ARG A 18 -11.389 -10.077 9.289 1.00 5.42 H new ATOM 272 N ILE A 19 -4.725 -6.925 3.566 1.00 10.22 N ATOM 273 CA ILE A 19 -4.153 -7.760 2.517 1.00 14.05 C ATOM 274 C ILE A 19 -2.932 -8.518 3.024 1.00 62.41 C ATOM 275 O ILE A 19 -2.044 -7.939 3.651 1.00 64.22 O ATOM 276 CB ILE A 19 -3.751 -6.923 1.288 1.00 5.01 C ATOM 277 CG1 ILE A 19 -4.966 -6.182 0.728 1.00 13.22 C ATOM 278 CG2 ILE A 19 -3.128 -7.813 0.223 1.00 35.21 C ATOM 279 CD1 ILE A 19 -4.606 -4.949 -0.072 1.00 34.21 C ATOM 0 H ILE A 19 -4.846 -5.946 3.307 1.00 10.22 H new ATOM 0 HA ILE A 19 -4.924 -8.472 2.224 1.00 14.05 H new ATOM 0 HB ILE A 19 -3.010 -6.185 1.596 1.00 5.01 H new ATOM 0 HG12 ILE A 19 -5.536 -6.862 0.095 1.00 13.22 H new ATOM 0 HG13 ILE A 19 -5.617 -5.893 1.553 1.00 13.22 H new ATOM 0 HG21 ILE A 19 -2.849 -7.208 -0.639 1.00 35.21 H new ATOM 0 HG22 ILE A 19 -2.240 -8.298 0.628 1.00 35.21 H new ATOM 0 HG23 ILE A 19 -3.848 -8.572 -0.084 1.00 35.21 H new ATOM 0 HD11 ILE A 19 -5.516 -4.474 -0.438 1.00 34.21 H new ATOM 0 HD12 ILE A 19 -4.062 -4.250 0.563 1.00 34.21 H new ATOM 0 HD13 ILE A 19 -3.980 -5.234 -0.918 1.00 34.21 H new ATOM 291 N ARG A 20 -2.892 -9.818 2.747 1.00 12.41 N ATOM 292 CA ARG A 20 -1.779 -10.656 3.175 1.00 34.30 C ATOM 293 C ARG A 20 -0.946 -11.106 1.978 1.00 14.23 C ATOM 294 O ARG A 20 -1.465 -11.268 0.872 1.00 32.42 O ATOM 295 CB ARG A 20 -2.296 -11.878 3.937 1.00 30.51 C ATOM 296 CG ARG A 20 -2.647 -11.588 5.388 1.00 44.45 C ATOM 297 CD ARG A 20 -3.930 -12.291 5.802 1.00 5.33 C ATOM 298 NE ARG A 20 -5.116 -11.617 5.283 1.00 14.41 N ATOM 299 CZ ARG A 20 -6.333 -11.777 5.791 1.00 10.40 C ATOM 300 NH1 ARG A 20 -6.523 -12.584 6.825 1.00 1.13 N ATOM 301 NH2 ARG A 20 -7.364 -11.128 5.263 1.00 33.34 N ATOM 0 H ARG A 20 -3.618 -10.313 2.228 1.00 12.41 H new ATOM 0 HA ARG A 20 -1.145 -10.065 3.836 1.00 34.30 H new ATOM 0 HB2 ARG A 20 -3.179 -12.266 3.429 1.00 30.51 H new ATOM 0 HB3 ARG A 20 -1.540 -12.662 3.905 1.00 30.51 H new ATOM 0 HG2 ARG A 20 -1.830 -11.911 6.033 1.00 44.45 H new ATOM 0 HG3 ARG A 20 -2.758 -10.513 5.529 1.00 44.45 H new ATOM 0 HD2 ARG A 20 -3.912 -13.320 5.443 1.00 5.33 H new ATOM 0 HD3 ARG A 20 -3.985 -12.334 6.890 1.00 5.33 H new ATOM 0 HE ARG A 20 -5.004 -10.989 4.487 1.00 14.41 H new ATOM 0 HH11 ARG A 20 -5.733 -13.084 7.233 1.00 1.13 H new ATOM 0 HH12 ARG A 20 -7.459 -12.705 7.213 1.00 1.13 H new ATOM 0 HH21 ARG A 20 -7.222 -10.506 4.467 1.00 33.34 H new ATOM 0 HH22 ARG A 20 -8.298 -11.251 5.653 1.00 33.34 H new ATOM 315 N LEU A 21 0.347 -11.306 2.206 1.00 63.15 N ATOM 316 CA LEU A 21 1.253 -11.736 1.146 1.00 31.40 C ATOM 317 C LEU A 21 0.778 -13.044 0.522 1.00 70.41 C ATOM 318 O LEU A 21 1.112 -13.356 -0.621 1.00 63.00 O ATOM 319 CB LEU A 21 2.670 -11.905 1.697 1.00 71.02 C ATOM 320 CG LEU A 21 3.330 -10.640 2.249 1.00 61.44 C ATOM 321 CD1 LEU A 21 4.586 -10.993 3.031 1.00 15.34 C ATOM 322 CD2 LEU A 21 3.657 -9.674 1.119 1.00 5.23 C ATOM 0 H LEU A 21 0.792 -11.178 3.115 1.00 63.15 H new ATOM 0 HA LEU A 21 1.260 -10.968 0.373 1.00 31.40 H new ATOM 0 HB2 LEU A 21 2.643 -12.653 2.490 1.00 71.02 H new ATOM 0 HB3 LEU A 21 3.302 -12.304 0.904 1.00 71.02 H new ATOM 0 HG LEU A 21 2.629 -10.152 2.927 1.00 61.44 H new ATOM 0 HD11 LEU A 21 5.043 -10.082 3.417 1.00 15.34 H new ATOM 0 HD12 LEU A 21 4.325 -11.648 3.862 1.00 15.34 H new ATOM 0 HD13 LEU A 21 5.292 -11.503 2.375 1.00 15.34 H new ATOM 0 HD21 LEU A 21 4.126 -8.780 1.529 1.00 5.23 H new ATOM 0 HD22 LEU A 21 4.340 -10.153 0.417 1.00 5.23 H new ATOM 0 HD23 LEU A 21 2.739 -9.397 0.600 1.00 5.23 H new ATOM 334 N ARG A 22 -0.004 -13.806 1.280 1.00 24.14 N ATOM 335 CA ARG A 22 -0.525 -15.081 0.801 1.00 2.15 C ATOM 336 C ARG A 22 -1.996 -15.241 1.173 1.00 43.32 C ATOM 337 O ARG A 22 -2.508 -14.583 2.079 1.00 24.14 O ATOM 338 CB ARG A 22 0.288 -16.239 1.383 1.00 53.23 C ATOM 339 CG ARG A 22 1.198 -16.913 0.369 1.00 34.51 C ATOM 340 CD ARG A 22 1.456 -18.368 0.734 1.00 43.44 C ATOM 341 NE ARG A 22 2.238 -19.057 -0.289 1.00 13.04 N ATOM 342 CZ ARG A 22 1.718 -19.536 -1.413 1.00 35.33 C ATOM 343 NH1 ARG A 22 0.421 -19.402 -1.658 1.00 24.02 N ATOM 344 NH2 ARG A 22 2.494 -20.153 -2.295 1.00 25.33 N ATOM 0 H ARG A 22 -0.291 -13.563 2.228 1.00 24.14 H new ATOM 0 HA ARG A 22 -0.439 -15.095 -0.286 1.00 2.15 H new ATOM 0 HB2 ARG A 22 0.892 -15.868 2.211 1.00 53.23 H new ATOM 0 HB3 ARG A 22 -0.396 -16.981 1.795 1.00 53.23 H new ATOM 0 HG2 ARG A 22 0.745 -16.860 -0.621 1.00 34.51 H new ATOM 0 HG3 ARG A 22 2.145 -16.377 0.315 1.00 34.51 H new ATOM 0 HD2 ARG A 22 1.983 -18.415 1.687 1.00 43.44 H new ATOM 0 HD3 ARG A 22 0.505 -18.882 0.871 1.00 43.44 H new ATOM 0 HE ARG A 22 3.239 -19.177 -0.131 1.00 13.04 H new ATOM 0 HH11 ARG A 22 -0.180 -18.930 -0.982 1.00 24.02 H new ATOM 0 HH12 ARG A 22 0.024 -19.771 -2.522 1.00 24.02 H new ATOM 0 HH21 ARG A 22 3.491 -20.260 -2.110 1.00 25.33 H new ATOM 0 HH22 ARG A 22 2.093 -20.520 -3.158 1.00 25.33 H new ATOM 358 N PRO A 23 -2.694 -16.134 0.456 1.00 24.35 N ATOM 359 CA PRO A 23 -4.116 -16.401 0.693 1.00 2.14 C ATOM 360 C PRO A 23 -4.359 -17.124 2.014 1.00 43.40 C ATOM 361 O PRO A 23 -5.376 -16.909 2.672 1.00 23.10 O ATOM 362 CB PRO A 23 -4.509 -17.295 -0.485 1.00 73.14 C ATOM 363 CG PRO A 23 -3.240 -17.954 -0.902 1.00 63.33 C ATOM 364 CD PRO A 23 -2.148 -16.954 -0.638 1.00 54.31 C ATOM 0 HA PRO A 23 -4.697 -15.481 0.762 1.00 2.14 H new ATOM 0 HB2 PRO A 23 -5.258 -18.030 -0.191 1.00 73.14 H new ATOM 0 HB3 PRO A 23 -4.938 -16.711 -1.299 1.00 73.14 H new ATOM 0 HG2 PRO A 23 -3.073 -18.872 -0.338 1.00 63.33 H new ATOM 0 HG3 PRO A 23 -3.271 -18.229 -1.956 1.00 63.33 H new ATOM 0 HD2 PRO A 23 -1.217 -17.442 -0.348 1.00 54.31 H new ATOM 0 HD3 PRO A 23 -1.931 -16.353 -1.521 1.00 54.31 H new ATOM 372 N GLY A 24 -3.416 -17.981 2.396 1.00 15.02 N ATOM 373 CA GLY A 24 -3.547 -18.722 3.637 1.00 1.51 C ATOM 374 C GLY A 24 -2.458 -18.380 4.633 1.00 15.14 C ATOM 375 O GLY A 24 -2.233 -19.114 5.595 1.00 71.25 O ATOM 0 H GLY A 24 -2.565 -18.175 1.869 1.00 15.02 H new ATOM 0 HA2 GLY A 24 -4.520 -18.512 4.081 1.00 1.51 H new ATOM 0 HA3 GLY A 24 -3.518 -19.790 3.424 1.00 1.51 H new ATOM 379 N GLY A 25 -1.777 -17.261 4.404 1.00 35.24 N ATOM 380 CA GLY A 25 -0.712 -16.844 5.297 1.00 1.23 C ATOM 381 C GLY A 25 -1.190 -15.866 6.352 1.00 32.31 C ATOM 382 O GLY A 25 -2.379 -15.553 6.428 1.00 70.05 O ATOM 0 H GLY A 25 -1.944 -16.636 3.616 1.00 35.24 H new ATOM 0 HA2 GLY A 25 -0.287 -17.721 5.785 1.00 1.23 H new ATOM 0 HA3 GLY A 25 0.087 -16.384 4.715 1.00 1.23 H new ATOM 386 N LYS A 26 -0.263 -15.383 7.172 1.00 4.40 N ATOM 387 CA LYS A 26 -0.595 -14.435 8.229 1.00 62.11 C ATOM 388 C LYS A 26 0.167 -13.126 8.045 1.00 22.30 C ATOM 389 O LYS A 26 -0.088 -12.144 8.742 1.00 11.51 O ATOM 390 CB LYS A 26 -0.273 -15.035 9.600 1.00 75.34 C ATOM 391 CG LYS A 26 -0.904 -14.281 10.757 1.00 13.12 C ATOM 392 CD LYS A 26 -0.493 -14.869 12.097 1.00 32.30 C ATOM 393 CE LYS A 26 -0.915 -13.974 13.252 1.00 71.15 C ATOM 394 NZ LYS A 26 -0.099 -12.731 13.317 1.00 62.11 N ATOM 0 H LYS A 26 0.725 -15.633 7.125 1.00 4.40 H new ATOM 0 HA LYS A 26 -1.663 -14.225 8.172 1.00 62.11 H new ATOM 0 HB2 LYS A 26 -0.613 -16.070 9.623 1.00 75.34 H new ATOM 0 HB3 LYS A 26 0.808 -15.052 9.735 1.00 75.34 H new ATOM 0 HG2 LYS A 26 -0.609 -13.233 10.713 1.00 13.12 H new ATOM 0 HG3 LYS A 26 -1.990 -14.311 10.663 1.00 13.12 H new ATOM 0 HD2 LYS A 26 -0.943 -15.855 12.216 1.00 32.30 H new ATOM 0 HD3 LYS A 26 0.588 -15.007 12.119 1.00 32.30 H new ATOM 0 HE2 LYS A 26 -1.967 -13.712 13.143 1.00 71.15 H new ATOM 0 HE3 LYS A 26 -0.818 -14.521 14.190 1.00 71.15 H new ATOM 0 HZ1 LYS A 26 -0.273 -12.249 14.222 1.00 62.11 H new ATOM 0 HZ2 LYS A 26 0.910 -12.973 13.242 1.00 62.11 H new ATOM 0 HZ3 LYS A 26 -0.363 -12.101 12.533 1.00 62.11 H new ATOM 408 N LYS A 27 1.103 -13.119 7.101 1.00 14.11 N ATOM 409 CA LYS A 27 1.900 -11.931 6.823 1.00 2.22 C ATOM 410 C LYS A 27 1.064 -10.868 6.116 1.00 42.13 C ATOM 411 O LYS A 27 0.472 -11.126 5.068 1.00 52.33 O ATOM 412 CB LYS A 27 3.113 -12.295 5.966 1.00 62.33 C ATOM 413 CG LYS A 27 4.391 -11.591 6.389 1.00 63.02 C ATOM 414 CD LYS A 27 5.623 -12.308 5.863 1.00 2.35 C ATOM 415 CE LYS A 27 6.717 -11.325 5.475 1.00 2.40 C ATOM 416 NZ LYS A 27 8.003 -11.626 6.164 1.00 40.05 N ATOM 0 H LYS A 27 1.328 -13.924 6.516 1.00 14.11 H new ATOM 0 HA LYS A 27 2.244 -11.524 7.774 1.00 2.22 H new ATOM 0 HB2 LYS A 27 3.270 -13.373 6.012 1.00 62.33 H new ATOM 0 HB3 LYS A 27 2.900 -12.048 4.926 1.00 62.33 H new ATOM 0 HG2 LYS A 27 4.381 -10.565 6.021 1.00 63.02 H new ATOM 0 HG3 LYS A 27 4.436 -11.539 7.477 1.00 63.02 H new ATOM 0 HD2 LYS A 27 6.000 -12.992 6.624 1.00 2.35 H new ATOM 0 HD3 LYS A 27 5.352 -12.912 4.997 1.00 2.35 H new ATOM 0 HE2 LYS A 27 6.867 -11.356 4.396 1.00 2.40 H new ATOM 0 HE3 LYS A 27 6.400 -10.312 5.724 1.00 2.40 H new ATOM 0 HZ1 LYS A 27 8.381 -10.755 6.589 1.00 40.05 H new ATOM 0 HZ2 LYS A 27 7.840 -12.333 6.909 1.00 40.05 H new ATOM 0 HZ3 LYS A 27 8.687 -12.000 5.475 1.00 40.05 H new ATOM 430 N LYS A 28 1.022 -9.673 6.694 1.00 44.12 N ATOM 431 CA LYS A 28 0.263 -8.570 6.118 1.00 41.23 C ATOM 432 C LYS A 28 1.194 -7.528 5.505 1.00 33.31 C ATOM 433 O LYS A 28 2.308 -7.320 5.985 1.00 45.13 O ATOM 434 CB LYS A 28 -0.618 -7.917 7.185 1.00 3.14 C ATOM 435 CG LYS A 28 -1.425 -8.914 8.000 1.00 41.30 C ATOM 436 CD LYS A 28 -2.215 -8.224 9.099 1.00 30.12 C ATOM 437 CE LYS A 28 -2.268 -9.070 10.363 1.00 40.42 C ATOM 438 NZ LYS A 28 -2.284 -8.231 11.592 1.00 2.24 N ATOM 0 H LYS A 28 1.505 -9.443 7.562 1.00 44.12 H new ATOM 0 HA LYS A 28 -0.371 -8.973 5.329 1.00 41.23 H new ATOM 0 HB2 LYS A 28 0.012 -7.335 7.858 1.00 3.14 H new ATOM 0 HB3 LYS A 28 -1.301 -7.217 6.703 1.00 3.14 H new ATOM 0 HG2 LYS A 28 -2.108 -9.454 7.344 1.00 41.30 H new ATOM 0 HG3 LYS A 28 -0.755 -9.652 8.441 1.00 41.30 H new ATOM 0 HD2 LYS A 28 -1.760 -7.259 9.324 1.00 30.12 H new ATOM 0 HD3 LYS A 28 -3.228 -8.025 8.750 1.00 30.12 H new ATOM 0 HE2 LYS A 28 -3.158 -9.699 10.342 1.00 40.42 H new ATOM 0 HE3 LYS A 28 -1.406 -9.737 10.390 1.00 40.42 H new ATOM 0 HZ1 LYS A 28 -2.320 -8.845 12.431 1.00 2.24 H new ATOM 0 HZ2 LYS A 28 -1.423 -7.649 11.626 1.00 2.24 H new ATOM 0 HZ3 LYS A 28 -3.120 -7.612 11.579 1.00 2.24 H new ATOM 452 N TYR A 29 0.729 -6.877 4.446 1.00 42.40 N ATOM 453 CA TYR A 29 1.522 -5.857 3.767 1.00 12.14 C ATOM 454 C TYR A 29 1.794 -4.674 4.692 1.00 14.20 C ATOM 455 O TYR A 29 0.943 -4.293 5.497 1.00 11.21 O ATOM 456 CB TYR A 29 0.802 -5.377 2.506 1.00 23.11 C ATOM 457 CG TYR A 29 1.164 -6.165 1.266 1.00 15.23 C ATOM 458 CD1 TYR A 29 2.424 -6.054 0.692 1.00 14.04 C ATOM 459 CD2 TYR A 29 0.244 -7.019 0.669 1.00 4.52 C ATOM 460 CE1 TYR A 29 2.759 -6.770 -0.440 1.00 55.24 C ATOM 461 CE2 TYR A 29 0.571 -7.740 -0.463 1.00 2.44 C ATOM 462 CZ TYR A 29 1.829 -7.613 -1.013 1.00 41.41 C ATOM 463 OH TYR A 29 2.158 -8.329 -2.142 1.00 12.31 O ATOM 0 H TYR A 29 -0.192 -7.036 4.038 1.00 42.40 H new ATOM 0 HA TYR A 29 2.476 -6.302 3.485 1.00 12.14 H new ATOM 0 HB2 TYR A 29 -0.274 -5.441 2.666 1.00 23.11 H new ATOM 0 HB3 TYR A 29 1.038 -4.326 2.340 1.00 23.11 H new ATOM 0 HD1 TYR A 29 3.155 -5.396 1.139 1.00 14.04 H new ATOM 0 HD2 TYR A 29 -0.742 -7.120 1.097 1.00 4.52 H new ATOM 0 HE1 TYR A 29 3.743 -6.671 -0.874 1.00 55.24 H new ATOM 0 HE2 TYR A 29 -0.155 -8.400 -0.915 1.00 2.44 H new ATOM 0 HH TYR A 29 3.119 -8.520 -2.139 1.00 12.31 H new ATOM 473 N ARG A 30 2.984 -4.097 4.570 1.00 45.00 N ATOM 474 CA ARG A 30 3.370 -2.959 5.395 1.00 44.55 C ATOM 475 C ARG A 30 4.384 -2.079 4.667 1.00 31.24 C ATOM 476 O ARG A 30 4.898 -2.450 3.612 1.00 60.32 O ATOM 477 CB ARG A 30 3.955 -3.438 6.724 1.00 61.30 C ATOM 478 CG ARG A 30 3.213 -2.912 7.941 1.00 11.11 C ATOM 479 CD ARG A 30 2.905 -4.026 8.930 1.00 41.52 C ATOM 480 NE ARG A 30 4.037 -4.305 9.809 1.00 60.42 N ATOM 481 CZ ARG A 30 4.415 -3.504 10.799 1.00 75.43 C ATOM 482 NH1 ARG A 30 3.753 -2.380 11.035 1.00 44.01 N ATOM 483 NH2 ARG A 30 5.456 -3.827 11.555 1.00 31.33 N ATOM 0 H ARG A 30 3.698 -4.399 3.907 1.00 45.00 H new ATOM 0 HA ARG A 30 2.476 -2.367 5.593 1.00 44.55 H new ATOM 0 HB2 ARG A 30 3.943 -4.528 6.745 1.00 61.30 H new ATOM 0 HB3 ARG A 30 4.999 -3.129 6.784 1.00 61.30 H new ATOM 0 HG2 ARG A 30 3.813 -2.145 8.431 1.00 11.11 H new ATOM 0 HG3 ARG A 30 2.284 -2.437 7.625 1.00 11.11 H new ATOM 0 HD2 ARG A 30 2.039 -3.748 9.531 1.00 41.52 H new ATOM 0 HD3 ARG A 30 2.637 -4.931 8.385 1.00 41.52 H new ATOM 0 HE ARG A 30 4.567 -5.163 9.654 1.00 60.42 H new ATOM 0 HH11 ARG A 30 2.952 -2.129 10.456 1.00 44.01 H new ATOM 0 HH12 ARG A 30 4.045 -1.766 11.796 1.00 44.01 H new ATOM 0 HH21 ARG A 30 5.967 -4.691 11.376 1.00 31.33 H new ATOM 0 HH22 ARG A 30 5.745 -3.211 12.315 1.00 31.33 H new ATOM 497 N LEU A 31 4.667 -0.914 5.240 1.00 60.22 N ATOM 498 CA LEU A 31 5.619 0.018 4.646 1.00 34.22 C ATOM 499 C LEU A 31 6.923 -0.688 4.290 1.00 74.43 C ATOM 500 O LEU A 31 7.557 -0.375 3.282 1.00 10.53 O ATOM 501 CB LEU A 31 5.899 1.174 5.609 1.00 33.22 C ATOM 502 CG LEU A 31 5.163 2.482 5.318 1.00 14.33 C ATOM 503 CD1 LEU A 31 3.665 2.240 5.211 1.00 24.12 C ATOM 504 CD2 LEU A 31 5.463 3.514 6.396 1.00 33.24 C ATOM 0 H LEU A 31 4.251 -0.593 6.114 1.00 60.22 H new ATOM 0 HA LEU A 31 5.179 0.413 3.730 1.00 34.22 H new ATOM 0 HB2 LEU A 31 5.640 0.851 6.618 1.00 33.22 H new ATOM 0 HB3 LEU A 31 6.970 1.374 5.603 1.00 33.22 H new ATOM 0 HG LEU A 31 5.516 2.870 4.363 1.00 14.33 H new ATOM 0 HD11 LEU A 31 3.158 3.182 5.004 1.00 24.12 H new ATOM 0 HD12 LEU A 31 3.467 1.536 4.403 1.00 24.12 H new ATOM 0 HD13 LEU A 31 3.295 1.828 6.150 1.00 24.12 H new ATOM 0 HD21 LEU A 31 4.931 4.439 6.173 1.00 33.24 H new ATOM 0 HD22 LEU A 31 5.138 3.133 7.364 1.00 33.24 H new ATOM 0 HD23 LEU A 31 6.535 3.710 6.424 1.00 33.24 H new ATOM 516 N LYS A 32 7.317 -1.647 5.121 1.00 21.23 N ATOM 517 CA LYS A 32 8.543 -2.402 4.893 1.00 4.42 C ATOM 518 C LYS A 32 8.574 -2.976 3.481 1.00 64.13 C ATOM 519 O LYS A 32 9.614 -2.974 2.822 1.00 71.21 O ATOM 520 CB LYS A 32 8.669 -3.532 5.918 1.00 41.24 C ATOM 521 CG LYS A 32 9.993 -3.533 6.664 1.00 52.43 C ATOM 522 CD LYS A 32 9.928 -4.394 7.914 1.00 54.44 C ATOM 523 CE LYS A 32 10.476 -3.657 9.127 1.00 54.12 C ATOM 524 NZ LYS A 32 11.329 -4.538 9.971 1.00 0.21 N ATOM 0 H LYS A 32 6.804 -1.920 5.959 1.00 21.23 H new ATOM 0 HA LYS A 32 9.386 -1.721 5.007 1.00 4.42 H new ATOM 0 HB2 LYS A 32 7.856 -3.449 6.639 1.00 41.24 H new ATOM 0 HB3 LYS A 32 8.548 -4.488 5.409 1.00 41.24 H new ATOM 0 HG2 LYS A 32 10.781 -3.902 6.008 1.00 52.43 H new ATOM 0 HG3 LYS A 32 10.258 -2.512 6.938 1.00 52.43 H new ATOM 0 HD2 LYS A 32 8.895 -4.688 8.101 1.00 54.44 H new ATOM 0 HD3 LYS A 32 10.497 -5.310 7.756 1.00 54.44 H new ATOM 0 HE2 LYS A 32 11.057 -2.796 8.797 1.00 54.12 H new ATOM 0 HE3 LYS A 32 9.648 -3.273 9.723 1.00 54.12 H new ATOM 0 HZ1 LYS A 32 11.683 -4.000 10.787 1.00 0.21 H new ATOM 0 HZ2 LYS A 32 10.768 -5.346 10.307 1.00 0.21 H new ATOM 0 HZ3 LYS A 32 12.133 -4.884 9.409 1.00 0.21 H new ATOM 538 N HIS A 33 7.427 -3.467 3.021 1.00 2.34 N ATOM 539 CA HIS A 33 7.322 -4.042 1.685 1.00 72.13 C ATOM 540 C HIS A 33 7.405 -2.954 0.618 1.00 71.54 C ATOM 541 O HIS A 33 7.860 -3.275 -0.481 1.00 10.31 O ATOM 542 CB HIS A 33 6.010 -4.814 1.540 1.00 31.33 C ATOM 543 CG HIS A 33 5.873 -5.949 2.509 1.00 63.04 C ATOM 544 ND1 HIS A 33 4.940 -5.965 3.523 1.00 42.11 N ATOM 545 CD2 HIS A 33 6.559 -7.112 2.612 1.00 71.11 C ATOM 546 CE1 HIS A 33 5.058 -7.088 4.209 1.00 53.22 C ATOM 547 NE2 HIS A 33 6.032 -7.802 3.676 1.00 44.31 N ATOM 0 H HIS A 33 6.557 -3.478 3.554 1.00 2.34 H new ATOM 0 HA HIS A 33 8.157 -4.729 1.546 1.00 72.13 H new ATOM 0 HB2 HIS A 33 5.176 -4.126 1.678 1.00 31.33 H new ATOM 0 HB3 HIS A 33 5.937 -5.203 0.524 1.00 31.33 H new ATOM 0 HD2 HIS A 33 7.369 -7.436 1.976 1.00 71.11 H new ATOM 0 HE1 HIS A 33 4.459 -7.373 5.061 1.00 53.22 H new ATOM 0 HE2 HIS A 33 6.343 -8.717 4.002 1.00 44.31 H new ATOM 555 N ILE A 34 6.994 -1.723 0.899 1.00 21.34 N ATOM 556 CA ILE A 34 7.056 -0.653 -0.087 1.00 50.31 C ATOM 557 C ILE A 34 8.495 -0.211 -0.330 1.00 43.02 C ATOM 558 O ILE A 34 8.882 0.092 -1.459 1.00 71.11 O ATOM 559 CB ILE A 34 6.224 0.566 0.351 1.00 2.12 C ATOM 560 CG1 ILE A 34 4.874 0.115 0.911 1.00 73.11 C ATOM 561 CG2 ILE A 34 6.027 1.521 -0.816 1.00 62.14 C ATOM 562 CD1 ILE A 34 3.950 1.261 1.258 1.00 33.04 C ATOM 0 H ILE A 34 6.614 -1.442 1.803 1.00 21.34 H new ATOM 0 HA ILE A 34 6.640 -1.053 -1.012 1.00 50.31 H new ATOM 0 HB ILE A 34 6.765 1.092 1.138 1.00 2.12 H new ATOM 0 HG12 ILE A 34 4.383 -0.528 0.180 1.00 73.11 H new ATOM 0 HG13 ILE A 34 5.043 -0.488 1.803 1.00 73.11 H new ATOM 0 HG21 ILE A 34 5.437 2.377 -0.490 1.00 62.14 H new ATOM 0 HG22 ILE A 34 6.998 1.864 -1.173 1.00 62.14 H new ATOM 0 HG23 ILE A 34 5.505 1.007 -1.623 1.00 62.14 H new ATOM 0 HD11 ILE A 34 3.012 0.867 1.649 1.00 33.04 H new ATOM 0 HD12 ILE A 34 4.421 1.892 2.012 1.00 33.04 H new ATOM 0 HD13 ILE A 34 3.751 1.851 0.364 1.00 33.04 H new ATOM 574 N VAL A 35 9.287 -0.178 0.738 1.00 34.21 N ATOM 575 CA VAL A 35 10.685 0.223 0.642 1.00 61.23 C ATOM 576 C VAL A 35 11.493 -0.789 -0.163 1.00 3.45 C ATOM 577 O VAL A 35 12.332 -0.417 -0.983 1.00 51.34 O ATOM 578 CB VAL A 35 11.321 0.380 2.035 1.00 43.32 C ATOM 579 CG1 VAL A 35 12.792 0.748 1.913 1.00 64.24 C ATOM 580 CG2 VAL A 35 10.568 1.422 2.849 1.00 24.43 C ATOM 0 H VAL A 35 8.983 -0.425 1.680 1.00 34.21 H new ATOM 0 HA VAL A 35 10.704 1.186 0.132 1.00 61.23 H new ATOM 0 HB VAL A 35 11.253 -0.575 2.556 1.00 43.32 H new ATOM 0 HG11 VAL A 35 13.224 0.855 2.908 1.00 64.24 H new ATOM 0 HG12 VAL A 35 13.320 -0.036 1.370 1.00 64.24 H new ATOM 0 HG13 VAL A 35 12.888 1.690 1.373 1.00 64.24 H new ATOM 0 HG21 VAL A 35 11.031 1.521 3.831 1.00 24.43 H new ATOM 0 HG22 VAL A 35 10.603 2.382 2.333 1.00 24.43 H new ATOM 0 HG23 VAL A 35 9.530 1.111 2.967 1.00 24.43 H new ATOM 590 N TRP A 36 11.233 -2.069 0.077 1.00 4.34 N ATOM 591 CA TRP A 36 11.937 -3.136 -0.626 1.00 3.21 C ATOM 592 C TRP A 36 11.522 -3.187 -2.092 1.00 62.34 C ATOM 593 O TRP A 36 12.277 -3.657 -2.944 1.00 4.52 O ATOM 594 CB TRP A 36 11.662 -4.484 0.042 1.00 12.10 C ATOM 595 CG TRP A 36 12.277 -5.643 -0.681 1.00 5.15 C ATOM 596 CD1 TRP A 36 13.437 -6.288 -0.357 1.00 23.21 C ATOM 597 CD2 TRP A 36 11.768 -6.292 -1.851 1.00 34.13 C ATOM 598 NE1 TRP A 36 13.678 -7.299 -1.256 1.00 22.45 N ATOM 599 CE2 TRP A 36 12.669 -7.323 -2.180 1.00 61.50 C ATOM 600 CE3 TRP A 36 10.637 -6.105 -2.650 1.00 14.03 C ATOM 601 CZ2 TRP A 36 12.473 -8.161 -3.275 1.00 53.23 C ATOM 602 CZ3 TRP A 36 10.444 -6.937 -3.736 1.00 54.51 C ATOM 603 CH2 TRP A 36 11.357 -7.955 -4.041 1.00 4.05 C ATOM 0 H TRP A 36 10.541 -2.393 0.752 1.00 4.34 H new ATOM 0 HA TRP A 36 13.005 -2.926 -0.577 1.00 3.21 H new ATOM 0 HB2 TRP A 36 12.042 -4.459 1.063 1.00 12.10 H new ATOM 0 HB3 TRP A 36 10.585 -4.636 0.107 1.00 12.10 H new ATOM 0 HD1 TRP A 36 14.071 -6.040 0.482 1.00 23.21 H new ATOM 0 HE1 TRP A 36 14.479 -7.930 -1.238 1.00 22.45 H new ATOM 0 HE3 TRP A 36 9.926 -5.324 -2.423 1.00 14.03 H new ATOM 0 HZ2 TRP A 36 13.176 -8.946 -3.512 1.00 53.23 H new ATOM 0 HZ3 TRP A 36 9.574 -6.800 -4.361 1.00 54.51 H new ATOM 0 HH2 TRP A 36 11.177 -8.589 -4.896 1.00 4.05 H new ATOM 614 N ALA A 37 10.320 -2.702 -2.380 1.00 34.15 N ATOM 615 CA ALA A 37 9.806 -2.691 -3.744 1.00 72.54 C ATOM 616 C ALA A 37 10.448 -1.578 -4.564 1.00 1.32 C ATOM 617 O ALA A 37 11.011 -1.823 -5.630 1.00 72.23 O ATOM 618 CB ALA A 37 8.293 -2.538 -3.738 1.00 35.04 C ATOM 0 H ALA A 37 9.683 -2.311 -1.686 1.00 34.15 H new ATOM 0 HA ALA A 37 10.062 -3.643 -4.209 1.00 72.54 H new ATOM 0 HB1 ALA A 37 7.924 -2.531 -4.764 1.00 35.04 H new ATOM 0 HB2 ALA A 37 7.845 -3.371 -3.196 1.00 35.04 H new ATOM 0 HB3 ALA A 37 8.024 -1.601 -3.250 1.00 35.04 H new ATOM 624 N ALA A 38 10.361 -0.351 -4.059 1.00 20.15 N ATOM 625 CA ALA A 38 10.935 0.801 -4.743 1.00 34.33 C ATOM 626 C ALA A 38 12.442 0.643 -4.912 1.00 71.02 C ATOM 627 O ALA A 38 12.991 0.943 -5.972 1.00 21.12 O ATOM 628 CB ALA A 38 10.618 2.079 -3.982 1.00 30.43 C ATOM 0 H ALA A 38 9.898 -0.130 -3.178 1.00 20.15 H new ATOM 0 HA ALA A 38 10.489 0.863 -5.736 1.00 34.33 H new ATOM 0 HB1 ALA A 38 11.053 2.931 -4.504 1.00 30.43 H new ATOM 0 HB2 ALA A 38 9.537 2.206 -3.918 1.00 30.43 H new ATOM 0 HB3 ALA A 38 11.036 2.017 -2.977 1.00 30.43 H new ATOM 634 N ASN A 39 13.105 0.170 -3.862 1.00 72.14 N ATOM 635 CA ASN A 39 14.549 -0.026 -3.895 1.00 5.41 C ATOM 636 C ASN A 39 14.958 -0.858 -5.106 1.00 61.13 C ATOM 637 O ASN A 39 16.003 -0.620 -5.714 1.00 11.51 O ATOM 638 CB ASN A 39 15.022 -0.709 -2.610 1.00 41.33 C ATOM 639 CG ASN A 39 15.650 0.266 -1.634 1.00 3.41 C ATOM 640 OD1 ASN A 39 15.044 1.274 -1.268 1.00 74.12 O ATOM 641 ND2 ASN A 39 16.872 -0.029 -1.205 1.00 41.14 N ATOM 0 H ASN A 39 12.665 -0.085 -2.978 1.00 72.14 H new ATOM 0 HA ASN A 39 15.021 0.953 -3.973 1.00 5.41 H new ATOM 0 HB2 ASN A 39 14.176 -1.203 -2.132 1.00 41.33 H new ATOM 0 HB3 ASN A 39 15.745 -1.485 -2.860 1.00 41.33 H new ATOM 0 HD21 ASN A 39 17.345 0.590 -0.547 1.00 41.14 H new ATOM 0 HD22 ASN A 39 17.338 -0.875 -1.534 1.00 41.14 H new ATOM 648 N LYS A 40 14.128 -1.835 -5.454 1.00 51.01 N ATOM 649 CA LYS A 40 14.399 -2.702 -6.594 1.00 23.11 C ATOM 650 C LYS A 40 14.232 -1.944 -7.906 1.00 63.43 C ATOM 651 O LYS A 40 14.968 -2.175 -8.867 1.00 60.34 O ATOM 652 CB LYS A 40 13.468 -3.916 -6.571 1.00 43.21 C ATOM 653 CG LYS A 40 14.200 -5.243 -6.478 1.00 30.42 C ATOM 654 CD LYS A 40 14.129 -5.823 -5.075 1.00 0.32 C ATOM 655 CE LYS A 40 15.020 -5.057 -4.110 1.00 24.34 C ATOM 656 NZ LYS A 40 16.235 -5.835 -3.741 1.00 30.13 N ATOM 0 H LYS A 40 13.260 -2.046 -4.962 1.00 51.01 H new ATOM 0 HA LYS A 40 15.432 -3.043 -6.521 1.00 23.11 H new ATOM 0 HB2 LYS A 40 12.788 -3.826 -5.724 1.00 43.21 H new ATOM 0 HB3 LYS A 40 12.856 -3.911 -7.473 1.00 43.21 H new ATOM 0 HG2 LYS A 40 13.767 -5.949 -7.187 1.00 30.42 H new ATOM 0 HG3 LYS A 40 15.243 -5.105 -6.763 1.00 30.42 H new ATOM 0 HD2 LYS A 40 13.099 -5.796 -4.720 1.00 0.32 H new ATOM 0 HD3 LYS A 40 14.431 -6.870 -5.097 1.00 0.32 H new ATOM 0 HE2 LYS A 40 15.318 -4.112 -4.563 1.00 24.34 H new ATOM 0 HE3 LYS A 40 14.456 -4.815 -3.209 1.00 24.34 H new ATOM 0 HZ1 LYS A 40 16.816 -5.279 -3.082 1.00 30.13 H new ATOM 0 HZ2 LYS A 40 15.952 -6.726 -3.286 1.00 30.13 H new ATOM 0 HZ3 LYS A 40 16.787 -6.044 -4.597 1.00 30.13 H new ATOM 670 N LEU A 41 13.262 -1.037 -7.941 1.00 60.44 N ATOM 671 CA LEU A 41 12.999 -0.244 -9.136 1.00 50.44 C ATOM 672 C LEU A 41 14.209 0.610 -9.500 1.00 63.14 C ATOM 673 O LEU A 41 14.736 0.516 -10.609 1.00 25.34 O ATOM 674 CB LEU A 41 11.777 0.651 -8.920 1.00 31.14 C ATOM 675 CG LEU A 41 10.439 -0.069 -8.756 1.00 54.10 C ATOM 676 CD1 LEU A 41 9.302 0.935 -8.645 1.00 13.11 C ATOM 677 CD2 LEU A 41 10.199 -1.022 -9.919 1.00 12.15 C ATOM 0 H LEU A 41 12.645 -0.833 -7.155 1.00 60.44 H new ATOM 0 HA LEU A 41 12.799 -0.930 -9.960 1.00 50.44 H new ATOM 0 HB2 LEU A 41 11.950 1.260 -8.033 1.00 31.14 H new ATOM 0 HB3 LEU A 41 11.698 1.334 -9.766 1.00 31.14 H new ATOM 0 HG LEU A 41 10.473 -0.652 -7.836 1.00 54.10 H new ATOM 0 HD11 LEU A 41 8.357 0.404 -8.529 1.00 13.11 H new ATOM 0 HD12 LEU A 41 9.466 1.577 -7.779 1.00 13.11 H new ATOM 0 HD13 LEU A 41 9.266 1.545 -9.547 1.00 13.11 H new ATOM 0 HD21 LEU A 41 9.242 -1.526 -9.785 1.00 12.15 H new ATOM 0 HD22 LEU A 41 10.186 -0.460 -10.853 1.00 12.15 H new ATOM 0 HD23 LEU A 41 10.997 -1.763 -9.953 1.00 12.15 H new ATOM 689 N ASP A 42 14.646 1.439 -8.560 1.00 3.43 N ATOM 690 CA ASP A 42 15.798 2.307 -8.780 1.00 43.53 C ATOM 691 C ASP A 42 16.980 1.513 -9.325 1.00 44.20 C ATOM 692 O ASP A 42 17.605 1.907 -10.309 1.00 44.32 O ATOM 693 CB ASP A 42 16.193 3.006 -7.478 1.00 52.53 C ATOM 694 CG ASP A 42 16.017 4.510 -7.552 1.00 54.20 C ATOM 695 OD1 ASP A 42 14.858 4.975 -7.521 1.00 21.02 O ATOM 696 OD2 ASP A 42 17.038 5.223 -7.641 1.00 31.21 O ATOM 0 H ASP A 42 14.220 1.529 -7.637 1.00 3.43 H new ATOM 0 HA ASP A 42 15.519 3.060 -9.517 1.00 43.53 H new ATOM 0 HB2 ASP A 42 15.590 2.612 -6.660 1.00 52.53 H new ATOM 0 HB3 ASP A 42 17.233 2.776 -7.246 1.00 52.53 H new ATOM 701 N ARG A 43 17.283 0.392 -8.677 1.00 53.54 N ATOM 702 CA ARG A 43 18.392 -0.456 -9.096 1.00 21.44 C ATOM 703 C ARG A 43 18.140 -1.036 -10.485 1.00 50.32 C ATOM 704 O ARG A 43 18.933 -0.836 -11.405 1.00 65.22 O ATOM 705 CB ARG A 43 18.602 -1.590 -8.090 1.00 41.21 C ATOM 706 CG ARG A 43 20.065 -1.932 -7.857 1.00 34.23 C ATOM 707 CD ARG A 43 20.739 -0.913 -6.951 1.00 72.24 C ATOM 708 NE ARG A 43 22.189 -0.909 -7.118 1.00 1.52 N ATOM 709 CZ ARG A 43 23.016 -0.216 -6.342 1.00 51.21 C ATOM 710 NH1 ARG A 43 22.537 0.523 -5.350 1.00 54.34 N ATOM 711 NH2 ARG A 43 24.324 -0.262 -6.556 1.00 42.21 N ATOM 0 H ARG A 43 16.776 0.051 -7.860 1.00 53.54 H new ATOM 0 HA ARG A 43 19.291 0.159 -9.136 1.00 21.44 H new ATOM 0 HB2 ARG A 43 18.147 -1.311 -7.140 1.00 41.21 H new ATOM 0 HB3 ARG A 43 18.081 -2.480 -8.444 1.00 41.21 H new ATOM 0 HG2 ARG A 43 20.141 -2.924 -7.411 1.00 34.23 H new ATOM 0 HG3 ARG A 43 20.587 -1.972 -8.813 1.00 34.23 H new ATOM 0 HD2 ARG A 43 20.346 0.081 -7.167 1.00 72.24 H new ATOM 0 HD3 ARG A 43 20.494 -1.133 -5.912 1.00 72.24 H new ATOM 0 HE ARG A 43 22.589 -1.468 -7.871 1.00 1.52 H new ATOM 0 HH11 ARG A 43 21.532 0.560 -5.181 1.00 54.34 H new ATOM 0 HH12 ARG A 43 23.174 1.054 -4.756 1.00 54.34 H new ATOM 0 HH21 ARG A 43 24.697 -0.830 -7.317 1.00 42.21 H new ATOM 0 HH22 ARG A 43 24.957 0.270 -5.960 1.00 42.21 H new ATOM 725 N PHE A 44 17.031 -1.753 -10.629 1.00 31.54 N ATOM 726 CA PHE A 44 16.675 -2.363 -11.905 1.00 11.14 C ATOM 727 C PHE A 44 16.781 -1.349 -13.041 1.00 4.33 C ATOM 728 O PHE A 44 17.346 -1.638 -14.094 1.00 61.41 O ATOM 729 CB PHE A 44 15.254 -2.930 -11.845 1.00 3.05 C ATOM 730 CG PHE A 44 15.201 -4.370 -11.424 1.00 64.33 C ATOM 731 CD1 PHE A 44 15.931 -5.331 -12.105 1.00 21.42 C ATOM 732 CD2 PHE A 44 14.423 -4.764 -10.347 1.00 3.22 C ATOM 733 CE1 PHE A 44 15.883 -6.659 -11.721 1.00 4.24 C ATOM 734 CE2 PHE A 44 14.372 -6.089 -9.958 1.00 31.20 C ATOM 735 CZ PHE A 44 15.104 -7.037 -10.645 1.00 21.13 C ATOM 0 H PHE A 44 16.363 -1.926 -9.878 1.00 31.54 H new ATOM 0 HA PHE A 44 17.376 -3.175 -12.099 1.00 11.14 H new ATOM 0 HB2 PHE A 44 14.663 -2.334 -11.149 1.00 3.05 H new ATOM 0 HB3 PHE A 44 14.789 -2.829 -12.826 1.00 3.05 H new ATOM 0 HD1 PHE A 44 16.544 -5.040 -12.945 1.00 21.42 H new ATOM 0 HD2 PHE A 44 13.850 -4.027 -9.805 1.00 3.22 H new ATOM 0 HE1 PHE A 44 16.454 -7.399 -12.262 1.00 4.24 H new ATOM 0 HE2 PHE A 44 13.760 -6.383 -9.118 1.00 31.20 H new ATOM 0 HZ PHE A 44 15.067 -8.073 -10.341 1.00 21.13 H new ATOM 745 N GLY A 45 16.234 -0.158 -12.816 1.00 63.32 N ATOM 746 CA GLY A 45 16.278 0.881 -13.829 1.00 4.05 C ATOM 747 C GLY A 45 15.020 1.726 -13.848 1.00 34.14 C ATOM 748 O GLY A 45 14.963 2.752 -14.526 1.00 13.13 O ATOM 0 H GLY A 45 15.762 0.106 -11.951 1.00 63.32 H new ATOM 0 HA2 GLY A 45 17.140 1.523 -13.649 1.00 4.05 H new ATOM 0 HA3 GLY A 45 16.420 0.424 -14.808 1.00 4.05 H new ATOM 752 N LEU A 46 14.009 1.295 -13.101 1.00 54.31 N ATOM 753 CA LEU A 46 12.744 2.018 -13.035 1.00 53.24 C ATOM 754 C LEU A 46 12.750 3.023 -11.887 1.00 21.41 C ATOM 755 O LEU A 46 13.600 2.960 -10.999 1.00 63.43 O ATOM 756 CB LEU A 46 11.581 1.039 -12.865 1.00 63.32 C ATOM 757 CG LEU A 46 11.110 0.330 -14.136 1.00 15.41 C ATOM 758 CD1 LEU A 46 11.096 -1.177 -13.932 1.00 22.32 C ATOM 759 CD2 LEU A 46 9.730 0.828 -14.542 1.00 61.11 C ATOM 0 H LEU A 46 14.041 0.449 -12.533 1.00 54.31 H new ATOM 0 HA LEU A 46 12.617 2.563 -13.970 1.00 53.24 H new ATOM 0 HB2 LEU A 46 11.873 0.282 -12.137 1.00 63.32 H new ATOM 0 HB3 LEU A 46 10.736 1.580 -12.440 1.00 63.32 H new ATOM 0 HG LEU A 46 11.809 0.560 -14.940 1.00 15.41 H new ATOM 0 HD11 LEU A 46 10.758 -1.665 -14.846 1.00 22.32 H new ATOM 0 HD12 LEU A 46 12.101 -1.520 -13.687 1.00 22.32 H new ATOM 0 HD13 LEU A 46 10.418 -1.427 -13.116 1.00 22.32 H new ATOM 0 HD21 LEU A 46 9.410 0.314 -15.448 1.00 61.11 H new ATOM 0 HD22 LEU A 46 9.020 0.627 -13.740 1.00 61.11 H new ATOM 0 HD23 LEU A 46 9.771 1.901 -14.729 1.00 61.11 H new ATOM 771 N ALA A 47 11.795 3.946 -11.910 1.00 1.41 N ATOM 772 CA ALA A 47 11.687 4.961 -10.869 1.00 64.33 C ATOM 773 C ALA A 47 10.645 4.570 -9.827 1.00 62.24 C ATOM 774 O ALA A 47 9.712 3.822 -10.120 1.00 22.13 O ATOM 775 CB ALA A 47 11.344 6.311 -11.481 1.00 25.33 C ATOM 0 H ALA A 47 11.084 4.012 -12.639 1.00 1.41 H new ATOM 0 HA ALA A 47 12.652 5.037 -10.369 1.00 64.33 H new ATOM 0 HB1 ALA A 47 11.267 7.059 -10.692 1.00 25.33 H new ATOM 0 HB2 ALA A 47 12.127 6.602 -12.182 1.00 25.33 H new ATOM 0 HB3 ALA A 47 10.393 6.240 -12.008 1.00 25.33 H new ATOM 781 N GLU A 48 10.811 5.079 -8.611 1.00 53.30 N ATOM 782 CA GLU A 48 9.884 4.782 -7.526 1.00 33.34 C ATOM 783 C GLU A 48 8.637 5.657 -7.618 1.00 64.31 C ATOM 784 O GLU A 48 7.573 5.295 -7.116 1.00 53.34 O ATOM 785 CB GLU A 48 10.566 4.988 -6.171 1.00 21.34 C ATOM 786 CG GLU A 48 10.810 6.448 -5.829 1.00 21.23 C ATOM 787 CD GLU A 48 12.175 6.683 -5.213 1.00 61.12 C ATOM 788 OE1 GLU A 48 12.384 6.262 -4.055 1.00 53.04 O ATOM 789 OE2 GLU A 48 13.036 7.287 -5.888 1.00 33.34 O ATOM 0 H GLU A 48 11.579 5.699 -8.352 1.00 53.30 H new ATOM 0 HA GLU A 48 9.582 3.739 -7.618 1.00 33.34 H new ATOM 0 HB2 GLU A 48 9.950 4.539 -5.392 1.00 21.34 H new ATOM 0 HB3 GLU A 48 11.519 4.459 -6.169 1.00 21.34 H new ATOM 0 HG2 GLU A 48 10.715 7.050 -6.733 1.00 21.23 H new ATOM 0 HG3 GLU A 48 10.040 6.789 -5.137 1.00 21.23 H new ATOM 796 N SER A 49 8.779 6.810 -8.263 1.00 52.22 N ATOM 797 CA SER A 49 7.666 7.741 -8.419 1.00 21.24 C ATOM 798 C SER A 49 6.528 7.099 -9.205 1.00 51.35 C ATOM 799 O SER A 49 5.390 7.569 -9.169 1.00 54.30 O ATOM 800 CB SER A 49 8.134 9.016 -9.123 1.00 62.52 C ATOM 801 OG SER A 49 9.214 9.615 -8.429 1.00 34.11 O ATOM 0 H SER A 49 9.653 7.123 -8.686 1.00 52.22 H new ATOM 0 HA SER A 49 7.298 7.999 -7.426 1.00 21.24 H new ATOM 0 HB2 SER A 49 8.439 8.781 -10.143 1.00 62.52 H new ATOM 0 HB3 SER A 49 7.306 9.722 -9.192 1.00 62.52 H new ATOM 0 HG SER A 49 9.496 10.427 -8.900 1.00 34.11 H new ATOM 807 N LEU A 50 6.843 6.023 -9.918 1.00 13.03 N ATOM 808 CA LEU A 50 5.847 5.315 -10.715 1.00 63.32 C ATOM 809 C LEU A 50 4.852 4.583 -9.820 1.00 53.51 C ATOM 810 O LEU A 50 3.789 4.158 -10.273 1.00 43.12 O ATOM 811 CB LEU A 50 6.531 4.320 -11.655 1.00 45.02 C ATOM 812 CG LEU A 50 7.584 4.904 -12.598 1.00 70.11 C ATOM 813 CD1 LEU A 50 8.377 3.791 -13.267 1.00 25.23 C ATOM 814 CD2 LEU A 50 6.929 5.796 -13.643 1.00 24.20 C ATOM 0 H LEU A 50 7.780 5.622 -9.961 1.00 13.03 H new ATOM 0 HA LEU A 50 5.302 6.051 -11.307 1.00 63.32 H new ATOM 0 HB2 LEU A 50 7.003 3.545 -11.051 1.00 45.02 H new ATOM 0 HB3 LEU A 50 5.764 3.832 -12.256 1.00 45.02 H new ATOM 0 HG LEU A 50 8.273 5.512 -12.011 1.00 70.11 H new ATOM 0 HD11 LEU A 50 9.122 4.225 -13.934 1.00 25.23 H new ATOM 0 HD12 LEU A 50 8.877 3.192 -12.506 1.00 25.23 H new ATOM 0 HD13 LEU A 50 7.701 3.157 -13.841 1.00 25.23 H new ATOM 0 HD21 LEU A 50 7.693 6.203 -14.305 1.00 24.20 H new ATOM 0 HD22 LEU A 50 6.218 5.211 -14.226 1.00 24.20 H new ATOM 0 HD23 LEU A 50 6.406 6.614 -13.147 1.00 24.20 H new ATOM 826 N LEU A 51 5.203 4.443 -8.547 1.00 33.11 N ATOM 827 CA LEU A 51 4.339 3.766 -7.585 1.00 72.24 C ATOM 828 C LEU A 51 3.229 4.694 -7.101 1.00 42.13 C ATOM 829 O LEU A 51 2.333 4.275 -6.370 1.00 32.11 O ATOM 830 CB LEU A 51 5.160 3.268 -6.394 1.00 52.34 C ATOM 831 CG LEU A 51 5.870 1.927 -6.582 1.00 45.21 C ATOM 832 CD1 LEU A 51 7.044 1.806 -5.622 1.00 51.24 C ATOM 833 CD2 LEU A 51 4.895 0.775 -6.383 1.00 45.24 C ATOM 0 H LEU A 51 6.079 4.789 -8.156 1.00 33.11 H new ATOM 0 HA LEU A 51 3.880 2.912 -8.084 1.00 72.24 H new ATOM 0 HB2 LEU A 51 5.909 4.022 -6.154 1.00 52.34 H new ATOM 0 HB3 LEU A 51 4.499 3.189 -5.531 1.00 52.34 H new ATOM 0 HG LEU A 51 6.254 1.880 -7.601 1.00 45.21 H new ATOM 0 HD11 LEU A 51 7.537 0.845 -5.770 1.00 51.24 H new ATOM 0 HD12 LEU A 51 7.754 2.611 -5.812 1.00 51.24 H new ATOM 0 HD13 LEU A 51 6.683 1.874 -4.596 1.00 51.24 H new ATOM 0 HD21 LEU A 51 5.417 -0.172 -6.521 1.00 45.24 H new ATOM 0 HD22 LEU A 51 4.482 0.818 -5.375 1.00 45.24 H new ATOM 0 HD23 LEU A 51 4.087 0.852 -7.110 1.00 45.24 H new ATOM 845 N GLU A 52 3.297 5.955 -7.516 1.00 41.20 N ATOM 846 CA GLU A 52 2.296 6.942 -7.125 1.00 62.43 C ATOM 847 C GLU A 52 1.328 7.217 -8.271 1.00 45.53 C ATOM 848 O GLU A 52 0.734 8.294 -8.351 1.00 30.30 O ATOM 849 CB GLU A 52 2.974 8.243 -6.690 1.00 72.01 C ATOM 850 CG GLU A 52 4.161 8.031 -5.766 1.00 41.40 C ATOM 851 CD GLU A 52 4.179 9.008 -4.607 1.00 10.32 C ATOM 852 OE1 GLU A 52 3.316 8.884 -3.713 1.00 51.42 O ATOM 853 OE2 GLU A 52 5.057 9.897 -4.593 1.00 33.02 O ATOM 0 H GLU A 52 4.033 6.317 -8.122 1.00 41.20 H new ATOM 0 HA GLU A 52 1.731 6.537 -6.285 1.00 62.43 H new ATOM 0 HB2 GLU A 52 3.306 8.784 -7.576 1.00 72.01 H new ATOM 0 HB3 GLU A 52 2.241 8.874 -6.187 1.00 72.01 H new ATOM 0 HG2 GLU A 52 4.137 7.013 -5.378 1.00 41.40 H new ATOM 0 HG3 GLU A 52 5.084 8.133 -6.337 1.00 41.40 H new ATOM 860 N SER A 53 1.174 6.239 -9.158 1.00 2.52 N ATOM 861 CA SER A 53 0.282 6.378 -10.303 1.00 1.21 C ATOM 862 C SER A 53 -0.129 5.010 -10.840 1.00 73.01 C ATOM 863 O SER A 53 0.717 4.186 -11.187 1.00 72.00 O ATOM 864 CB SER A 53 0.958 7.190 -11.409 1.00 1.33 C ATOM 865 OG SER A 53 1.603 6.342 -12.342 1.00 5.32 O ATOM 0 H SER A 53 1.656 5.341 -9.106 1.00 2.52 H new ATOM 0 HA SER A 53 -0.613 6.904 -9.972 1.00 1.21 H new ATOM 0 HB2 SER A 53 0.215 7.801 -11.921 1.00 1.33 H new ATOM 0 HB3 SER A 53 1.685 7.873 -10.970 1.00 1.33 H new ATOM 0 HG SER A 53 2.026 6.885 -13.040 1.00 5.32 H new ATOM 871 N LYS A 54 -1.435 4.775 -10.905 1.00 55.33 N ATOM 872 CA LYS A 54 -1.962 3.509 -11.400 1.00 3.11 C ATOM 873 C LYS A 54 -1.466 3.230 -12.816 1.00 12.30 C ATOM 874 O LYS A 54 -1.184 2.085 -13.169 1.00 52.40 O ATOM 875 CB LYS A 54 -3.492 3.526 -11.379 1.00 53.14 C ATOM 876 CG LYS A 54 -4.103 4.522 -12.349 1.00 42.52 C ATOM 877 CD LYS A 54 -5.621 4.509 -12.281 1.00 73.42 C ATOM 878 CE LYS A 54 -6.145 5.561 -11.316 1.00 75.32 C ATOM 879 NZ LYS A 54 -6.632 6.774 -12.028 1.00 52.21 N ATOM 0 H LYS A 54 -2.149 5.446 -10.621 1.00 55.33 H new ATOM 0 HA LYS A 54 -1.605 2.715 -10.745 1.00 3.11 H new ATOM 0 HB2 LYS A 54 -3.861 2.528 -11.616 1.00 53.14 H new ATOM 0 HB3 LYS A 54 -3.830 3.760 -10.370 1.00 53.14 H new ATOM 0 HG2 LYS A 54 -3.737 5.523 -12.122 1.00 42.52 H new ATOM 0 HG3 LYS A 54 -3.782 4.287 -13.364 1.00 42.52 H new ATOM 0 HD2 LYS A 54 -6.032 4.688 -13.274 1.00 73.42 H new ATOM 0 HD3 LYS A 54 -5.964 3.523 -11.967 1.00 73.42 H new ATOM 0 HE2 LYS A 54 -6.956 5.138 -10.723 1.00 75.32 H new ATOM 0 HE3 LYS A 54 -5.354 5.841 -10.620 1.00 75.32 H new ATOM 0 HZ1 LYS A 54 -6.981 7.467 -11.335 1.00 52.21 H new ATOM 0 HZ2 LYS A 54 -5.852 7.193 -12.574 1.00 52.21 H new ATOM 0 HZ3 LYS A 54 -7.404 6.511 -12.673 1.00 52.21 H new ATOM 893 N GLU A 55 -1.360 4.283 -13.619 1.00 53.33 N ATOM 894 CA GLU A 55 -0.897 4.150 -14.996 1.00 32.25 C ATOM 895 C GLU A 55 0.566 3.720 -15.038 1.00 61.20 C ATOM 896 O GLU A 55 0.960 2.899 -15.866 1.00 74.10 O ATOM 897 CB GLU A 55 -1.073 5.471 -15.747 1.00 40.13 C ATOM 898 CG GLU A 55 -2.077 5.396 -16.886 1.00 70.51 C ATOM 899 CD GLU A 55 -3.426 5.979 -16.514 1.00 72.04 C ATOM 900 OE1 GLU A 55 -3.481 7.181 -16.183 1.00 12.22 O ATOM 901 OE2 GLU A 55 -4.426 5.232 -16.557 1.00 10.41 O ATOM 0 H GLU A 55 -1.588 5.237 -13.341 1.00 53.33 H new ATOM 0 HA GLU A 55 -1.498 3.382 -15.482 1.00 32.25 H new ATOM 0 HB2 GLU A 55 -1.392 6.240 -15.043 1.00 40.13 H new ATOM 0 HB3 GLU A 55 -0.108 5.784 -16.145 1.00 40.13 H new ATOM 0 HG2 GLU A 55 -1.681 5.929 -17.750 1.00 70.51 H new ATOM 0 HG3 GLU A 55 -2.205 4.356 -17.185 1.00 70.51 H new ATOM 908 N GLY A 56 1.368 4.280 -14.138 1.00 12.24 N ATOM 909 CA GLY A 56 2.779 3.943 -14.089 1.00 42.21 C ATOM 910 C GLY A 56 3.022 2.540 -13.570 1.00 0.14 C ATOM 911 O GLY A 56 3.884 1.823 -14.079 1.00 11.21 O ATOM 0 H GLY A 56 1.066 4.961 -13.442 1.00 12.24 H new ATOM 0 HA2 GLY A 56 3.207 4.037 -15.087 1.00 42.21 H new ATOM 0 HA3 GLY A 56 3.298 4.658 -13.451 1.00 42.21 H new ATOM 915 N CYS A 57 2.263 2.149 -12.551 1.00 64.33 N ATOM 916 CA CYS A 57 2.402 0.823 -11.960 1.00 24.33 C ATOM 917 C CYS A 57 2.158 -0.265 -13.000 1.00 73.11 C ATOM 918 O CYS A 57 2.724 -1.355 -12.917 1.00 53.00 O ATOM 919 CB CYS A 57 1.428 0.658 -10.793 1.00 23.30 C ATOM 920 SG CYS A 57 2.200 0.793 -9.162 1.00 53.13 S ATOM 0 H CYS A 57 1.546 2.731 -12.118 1.00 64.33 H new ATOM 0 HA CYS A 57 3.422 0.723 -11.590 1.00 24.33 H new ATOM 0 HB2 CYS A 57 0.646 1.413 -10.877 1.00 23.30 H new ATOM 0 HB3 CYS A 57 0.942 -0.314 -10.874 1.00 23.30 H new ATOM 0 HG CYS A 57 1.296 0.642 -8.240 1.00 53.13 H new ATOM 926 N GLN A 58 1.311 0.039 -13.978 1.00 60.21 N ATOM 927 CA GLN A 58 0.990 -0.915 -15.034 1.00 13.11 C ATOM 928 C GLN A 58 2.165 -1.083 -15.992 1.00 15.42 C ATOM 929 O GLN A 58 2.332 -2.136 -16.607 1.00 2.24 O ATOM 930 CB GLN A 58 -0.250 -0.457 -15.803 1.00 75.24 C ATOM 931 CG GLN A 58 -1.253 -1.570 -16.060 1.00 34.41 C ATOM 932 CD GLN A 58 -1.023 -2.270 -17.385 1.00 32.10 C ATOM 933 OE1 GLN A 58 -0.072 -3.036 -17.539 1.00 23.45 O ATOM 934 NE2 GLN A 58 -1.895 -2.010 -18.351 1.00 41.12 N ATOM 0 H GLN A 58 0.835 0.937 -14.061 1.00 60.21 H new ATOM 0 HA GLN A 58 0.785 -1.879 -14.569 1.00 13.11 H new ATOM 0 HB2 GLN A 58 -0.740 0.340 -15.244 1.00 75.24 H new ATOM 0 HB3 GLN A 58 0.061 -0.032 -16.757 1.00 75.24 H new ATOM 0 HG2 GLN A 58 -1.194 -2.300 -15.253 1.00 34.41 H new ATOM 0 HG3 GLN A 58 -2.261 -1.156 -16.042 1.00 34.41 H new ATOM 0 HE21 GLN A 58 -2.669 -1.368 -18.180 1.00 41.12 H new ATOM 0 HE22 GLN A 58 -1.791 -2.452 -19.264 1.00 41.12 H new ATOM 943 N LYS A 59 2.975 -0.037 -16.115 1.00 60.11 N ATOM 944 CA LYS A 59 4.135 -0.068 -16.997 1.00 60.14 C ATOM 945 C LYS A 59 5.242 -0.939 -16.411 1.00 41.21 C ATOM 946 O LYS A 59 6.191 -1.304 -17.105 1.00 55.34 O ATOM 947 CB LYS A 59 4.659 1.351 -17.233 1.00 63.44 C ATOM 948 CG LYS A 59 5.055 1.621 -18.675 1.00 72.53 C ATOM 949 CD LYS A 59 3.839 1.901 -19.544 1.00 31.14 C ATOM 950 CE LYS A 59 3.725 3.379 -19.881 1.00 64.55 C ATOM 951 NZ LYS A 59 3.025 4.142 -18.811 1.00 24.41 N ATOM 0 H LYS A 59 2.849 0.843 -15.615 1.00 60.11 H new ATOM 0 HA LYS A 59 3.825 -0.498 -17.949 1.00 60.14 H new ATOM 0 HB2 LYS A 59 3.893 2.067 -16.935 1.00 63.44 H new ATOM 0 HB3 LYS A 59 5.522 1.522 -16.590 1.00 63.44 H new ATOM 0 HG2 LYS A 59 5.735 2.472 -18.713 1.00 72.53 H new ATOM 0 HG3 LYS A 59 5.597 0.762 -19.071 1.00 72.53 H new ATOM 0 HD2 LYS A 59 3.907 1.321 -20.464 1.00 31.14 H new ATOM 0 HD3 LYS A 59 2.937 1.574 -19.026 1.00 31.14 H new ATOM 0 HE2 LYS A 59 4.721 3.795 -20.030 1.00 64.55 H new ATOM 0 HE3 LYS A 59 3.187 3.496 -20.821 1.00 64.55 H new ATOM 0 HZ1 LYS A 59 2.968 5.145 -19.080 1.00 24.41 H new ATOM 0 HZ2 LYS A 59 2.065 3.763 -18.685 1.00 24.41 H new ATOM 0 HZ3 LYS A 59 3.552 4.052 -17.919 1.00 24.41 H new ATOM 965 N ILE A 60 5.113 -1.269 -15.131 1.00 21.32 N ATOM 966 CA ILE A 60 6.101 -2.100 -14.453 1.00 34.01 C ATOM 967 C ILE A 60 5.761 -3.580 -14.589 1.00 14.10 C ATOM 968 O ILE A 60 6.643 -4.415 -14.791 1.00 61.42 O ATOM 969 CB ILE A 60 6.207 -1.744 -12.959 1.00 14.20 C ATOM 970 CG1 ILE A 60 6.242 -0.225 -12.775 1.00 13.01 C ATOM 971 CG2 ILE A 60 7.443 -2.386 -12.346 1.00 53.54 C ATOM 972 CD1 ILE A 60 6.329 0.207 -11.328 1.00 23.02 C ATOM 0 H ILE A 60 4.334 -0.974 -14.542 1.00 21.32 H new ATOM 0 HA ILE A 60 7.060 -1.904 -14.933 1.00 34.01 H new ATOM 0 HB ILE A 60 5.328 -2.133 -12.446 1.00 14.20 H new ATOM 0 HG12 ILE A 60 7.096 0.179 -13.318 1.00 13.01 H new ATOM 0 HG13 ILE A 60 5.347 0.208 -13.222 1.00 13.01 H new ATOM 0 HG21 ILE A 60 7.503 -2.124 -11.290 1.00 53.54 H new ATOM 0 HG22 ILE A 60 7.379 -3.469 -12.448 1.00 53.54 H new ATOM 0 HG23 ILE A 60 8.334 -2.025 -12.860 1.00 53.54 H new ATOM 0 HD11 ILE A 60 6.350 1.295 -11.274 1.00 23.02 H new ATOM 0 HD12 ILE A 60 5.462 -0.167 -10.784 1.00 23.02 H new ATOM 0 HD13 ILE A 60 7.238 -0.196 -10.882 1.00 23.02 H new ATOM 984 N LEU A 61 4.476 -3.899 -14.477 1.00 12.11 N ATOM 985 CA LEU A 61 4.018 -5.279 -14.589 1.00 35.24 C ATOM 986 C LEU A 61 4.269 -5.825 -15.991 1.00 53.35 C ATOM 987 O LEU A 61 4.443 -7.029 -16.179 1.00 24.50 O ATOM 988 CB LEU A 61 2.528 -5.371 -14.253 1.00 73.42 C ATOM 989 CG LEU A 61 2.147 -5.072 -12.804 1.00 34.54 C ATOM 990 CD1 LEU A 61 0.640 -4.914 -12.669 1.00 71.43 C ATOM 991 CD2 LEU A 61 2.654 -6.172 -11.881 1.00 13.42 C ATOM 0 H LEU A 61 3.733 -3.221 -14.309 1.00 12.11 H new ATOM 0 HA LEU A 61 4.583 -5.882 -13.878 1.00 35.24 H new ATOM 0 HB2 LEU A 61 1.987 -4.680 -14.900 1.00 73.42 H new ATOM 0 HB3 LEU A 61 2.182 -6.375 -14.499 1.00 73.42 H new ATOM 0 HG LEU A 61 2.618 -4.133 -12.512 1.00 34.54 H new ATOM 0 HD11 LEU A 61 0.388 -4.702 -11.630 1.00 71.43 H new ATOM 0 HD12 LEU A 61 0.302 -4.092 -13.300 1.00 71.43 H new ATOM 0 HD13 LEU A 61 0.148 -5.836 -12.980 1.00 71.43 H new ATOM 0 HD21 LEU A 61 2.374 -5.942 -10.853 1.00 13.42 H new ATOM 0 HD22 LEU A 61 2.212 -7.125 -12.173 1.00 13.42 H new ATOM 0 HD23 LEU A 61 3.740 -6.237 -11.955 1.00 13.42 H new ATOM 1003 N THR A 62 4.290 -4.929 -16.974 1.00 34.43 N ATOM 1004 CA THR A 62 4.522 -5.321 -18.359 1.00 15.20 C ATOM 1005 C THR A 62 5.953 -5.802 -18.562 1.00 63.30 C ATOM 1006 O THR A 62 6.217 -6.657 -19.408 1.00 22.11 O ATOM 1007 CB THR A 62 4.242 -4.155 -19.326 1.00 11.44 C ATOM 1008 OG1 THR A 62 4.026 -4.657 -20.649 1.00 51.00 O ATOM 1009 CG2 THR A 62 5.401 -3.169 -19.334 1.00 63.45 C ATOM 0 H THR A 62 4.149 -3.928 -16.836 1.00 34.43 H new ATOM 0 HA THR A 62 3.834 -6.138 -18.576 1.00 15.20 H new ATOM 0 HB THR A 62 3.346 -3.636 -18.985 1.00 11.44 H new ATOM 0 HG1 THR A 62 3.847 -3.910 -21.257 1.00 51.00 H new ATOM 0 HG21 THR A 62 5.181 -2.354 -20.024 1.00 63.45 H new ATOM 0 HG22 THR A 62 5.543 -2.767 -18.331 1.00 63.45 H new ATOM 0 HG23 THR A 62 6.310 -3.679 -19.653 1.00 63.45 H new ATOM 1017 N VAL A 63 6.875 -5.250 -17.780 1.00 3.55 N ATOM 1018 CA VAL A 63 8.281 -5.625 -17.873 1.00 2.13 C ATOM 1019 C VAL A 63 8.605 -6.780 -16.931 1.00 1.02 C ATOM 1020 O VAL A 63 9.456 -7.619 -17.230 1.00 51.11 O ATOM 1021 CB VAL A 63 9.203 -4.435 -17.544 1.00 55.14 C ATOM 1022 CG1 VAL A 63 10.660 -4.867 -17.567 1.00 21.44 C ATOM 1023 CG2 VAL A 63 8.962 -3.291 -18.517 1.00 35.31 C ATOM 0 H VAL A 63 6.674 -4.541 -17.075 1.00 3.55 H new ATOM 0 HA VAL A 63 8.457 -5.938 -18.902 1.00 2.13 H new ATOM 0 HB VAL A 63 8.969 -4.083 -16.539 1.00 55.14 H new ATOM 0 HG11 VAL A 63 11.296 -4.014 -17.332 1.00 21.44 H new ATOM 0 HG12 VAL A 63 10.818 -5.652 -16.827 1.00 21.44 H new ATOM 0 HG13 VAL A 63 10.912 -5.246 -18.558 1.00 21.44 H new ATOM 0 HG21 VAL A 63 9.621 -2.459 -18.270 1.00 35.31 H new ATOM 0 HG22 VAL A 63 9.168 -3.628 -19.533 1.00 35.31 H new ATOM 0 HG23 VAL A 63 7.924 -2.965 -18.446 1.00 35.31 H new ATOM 1033 N LEU A 64 7.921 -6.818 -15.793 1.00 53.42 N ATOM 1034 CA LEU A 64 8.135 -7.871 -14.806 1.00 50.44 C ATOM 1035 C LEU A 64 7.396 -9.145 -15.201 1.00 65.14 C ATOM 1036 O LEU A 64 7.776 -10.245 -14.799 1.00 0.21 O ATOM 1037 CB LEU A 64 7.669 -7.404 -13.425 1.00 63.11 C ATOM 1038 CG LEU A 64 8.550 -6.360 -12.737 1.00 74.12 C ATOM 1039 CD1 LEU A 64 7.851 -5.799 -11.508 1.00 75.14 C ATOM 1040 CD2 LEU A 64 9.895 -6.963 -12.360 1.00 2.22 C ATOM 0 H LEU A 64 7.213 -6.132 -15.531 1.00 53.42 H new ATOM 0 HA LEU A 64 9.202 -8.089 -14.768 1.00 50.44 H new ATOM 0 HB2 LEU A 64 6.663 -6.995 -13.522 1.00 63.11 H new ATOM 0 HB3 LEU A 64 7.597 -8.275 -12.774 1.00 63.11 H new ATOM 0 HG LEU A 64 8.725 -5.542 -13.435 1.00 74.12 H new ATOM 0 HD11 LEU A 64 8.492 -5.058 -11.031 1.00 75.14 H new ATOM 0 HD12 LEU A 64 6.913 -5.330 -11.805 1.00 75.14 H new ATOM 0 HD13 LEU A 64 7.646 -6.607 -10.806 1.00 75.14 H new ATOM 0 HD21 LEU A 64 10.509 -6.206 -11.872 1.00 2.22 H new ATOM 0 HD22 LEU A 64 9.740 -7.800 -11.679 1.00 2.22 H new ATOM 0 HD23 LEU A 64 10.401 -7.315 -13.259 1.00 2.22 H new ATOM 1052 N ASP A 65 6.340 -8.990 -15.992 1.00 44.54 N ATOM 1053 CA ASP A 65 5.550 -10.128 -16.446 1.00 22.44 C ATOM 1054 C ASP A 65 6.430 -11.152 -17.157 1.00 64.11 C ATOM 1055 O ASP A 65 6.548 -12.304 -16.738 1.00 43.03 O ATOM 1056 CB ASP A 65 4.433 -9.662 -17.380 1.00 14.14 C ATOM 1057 CG ASP A 65 4.097 -10.691 -18.440 1.00 72.21 C ATOM 1058 OD1 ASP A 65 3.896 -11.870 -18.080 1.00 62.12 O ATOM 1059 OD2 ASP A 65 4.035 -10.319 -19.631 1.00 30.14 O ATOM 0 H ASP A 65 6.011 -8.086 -16.332 1.00 44.54 H new ATOM 0 HA ASP A 65 5.106 -10.602 -15.570 1.00 22.44 H new ATOM 0 HB2 ASP A 65 3.540 -9.444 -16.794 1.00 14.14 H new ATOM 0 HB3 ASP A 65 4.732 -8.732 -17.863 1.00 14.14 H new ATOM 1064 N PRO A 66 7.063 -10.725 -18.259 1.00 54.35 N ATOM 1065 CA PRO A 66 7.942 -11.588 -19.054 1.00 1.14 C ATOM 1066 C PRO A 66 9.237 -11.924 -18.322 1.00 31.41 C ATOM 1067 O PRO A 66 9.966 -12.834 -18.718 1.00 41.34 O ATOM 1068 CB PRO A 66 8.233 -10.749 -20.300 1.00 4.34 C ATOM 1069 CG PRO A 66 8.054 -9.338 -19.856 1.00 1.33 C ATOM 1070 CD PRO A 66 6.968 -9.365 -18.817 1.00 70.12 C ATOM 0 HA PRO A 66 7.480 -12.551 -19.272 1.00 1.14 H new ATOM 0 HB2 PRO A 66 9.244 -10.923 -20.667 1.00 4.34 H new ATOM 0 HB3 PRO A 66 7.551 -10.998 -21.113 1.00 4.34 H new ATOM 0 HG2 PRO A 66 8.980 -8.939 -19.442 1.00 1.33 H new ATOM 0 HG3 PRO A 66 7.777 -8.698 -20.693 1.00 1.33 H new ATOM 0 HD2 PRO A 66 7.125 -8.605 -18.052 1.00 70.12 H new ATOM 0 HD3 PRO A 66 5.988 -9.178 -19.255 1.00 70.12 H new ATOM 1078 N MET A 67 9.517 -11.186 -17.253 1.00 42.31 N ATOM 1079 CA MET A 67 10.724 -11.408 -16.467 1.00 25.42 C ATOM 1080 C MET A 67 10.509 -12.518 -15.443 1.00 3.51 C ATOM 1081 O MET A 67 11.467 -13.071 -14.901 1.00 73.01 O ATOM 1082 CB MET A 67 11.142 -10.117 -15.758 1.00 35.31 C ATOM 1083 CG MET A 67 12.464 -9.554 -16.251 1.00 52.51 C ATOM 1084 SD MET A 67 12.396 -9.031 -17.975 1.00 74.53 S ATOM 1085 CE MET A 67 14.140 -8.850 -18.343 1.00 74.03 C ATOM 0 H MET A 67 8.924 -10.429 -16.912 1.00 42.31 H new ATOM 0 HA MET A 67 11.519 -11.714 -17.147 1.00 25.42 H new ATOM 0 HB2 MET A 67 10.363 -9.367 -15.897 1.00 35.31 H new ATOM 0 HB3 MET A 67 11.214 -10.307 -14.687 1.00 35.31 H new ATOM 0 HG2 MET A 67 12.748 -8.705 -15.629 1.00 52.51 H new ATOM 0 HG3 MET A 67 13.242 -10.309 -16.135 1.00 52.51 H new ATOM 0 HE1 MET A 67 14.262 -8.530 -19.378 1.00 74.03 H new ATOM 0 HE2 MET A 67 14.577 -8.105 -17.678 1.00 74.03 H new ATOM 0 HE3 MET A 67 14.644 -9.806 -18.197 1.00 74.03 H new ATOM 1095 N VAL A 68 9.246 -12.839 -15.181 1.00 31.23 N ATOM 1096 CA VAL A 68 8.906 -13.884 -14.223 1.00 22.21 C ATOM 1097 C VAL A 68 9.412 -15.244 -14.690 1.00 14.24 C ATOM 1098 O VAL A 68 10.193 -15.911 -14.010 1.00 40.32 O ATOM 1099 CB VAL A 68 7.385 -13.964 -13.996 1.00 14.11 C ATOM 1100 CG1 VAL A 68 6.975 -15.379 -13.615 1.00 1.40 C ATOM 1101 CG2 VAL A 68 6.952 -12.969 -12.930 1.00 11.22 C ATOM 0 H VAL A 68 8.441 -12.390 -15.619 1.00 31.23 H new ATOM 0 HA VAL A 68 9.393 -13.622 -13.283 1.00 22.21 H new ATOM 0 HB VAL A 68 6.882 -13.705 -14.928 1.00 14.11 H new ATOM 0 HG11 VAL A 68 5.897 -15.416 -13.459 1.00 1.40 H new ATOM 0 HG12 VAL A 68 7.249 -16.065 -14.416 1.00 1.40 H new ATOM 0 HG13 VAL A 68 7.485 -15.671 -12.697 1.00 1.40 H new ATOM 0 HG21 VAL A 68 5.874 -13.039 -12.783 1.00 11.22 H new ATOM 0 HG22 VAL A 68 7.462 -13.194 -11.993 1.00 11.22 H new ATOM 0 HG23 VAL A 68 7.209 -11.959 -13.249 1.00 11.22 H new ATOM 1111 N PRO A 69 8.957 -15.668 -15.878 1.00 1.01 N ATOM 1112 CA PRO A 69 9.351 -16.953 -16.464 1.00 53.15 C ATOM 1113 C PRO A 69 10.810 -16.965 -16.908 1.00 23.11 C ATOM 1114 O PRO A 69 11.308 -17.972 -17.413 1.00 43.31 O ATOM 1115 CB PRO A 69 8.423 -17.090 -17.674 1.00 23.53 C ATOM 1116 CG PRO A 69 8.063 -15.691 -18.036 1.00 4.45 C ATOM 1117 CD PRO A 69 8.024 -14.926 -16.742 1.00 12.52 C ATOM 0 HA PRO A 69 9.265 -17.771 -15.748 1.00 53.15 H new ATOM 0 HB2 PRO A 69 8.922 -17.597 -18.500 1.00 23.53 H new ATOM 0 HB3 PRO A 69 7.537 -17.676 -17.429 1.00 23.53 H new ATOM 0 HG2 PRO A 69 8.796 -15.264 -18.720 1.00 4.45 H new ATOM 0 HG3 PRO A 69 7.097 -15.654 -18.540 1.00 4.45 H new ATOM 0 HD2 PRO A 69 8.339 -13.891 -16.877 1.00 12.52 H new ATOM 0 HD3 PRO A 69 7.019 -14.901 -16.320 1.00 12.52 H new ATOM 1125 N THR A 70 11.492 -15.839 -16.715 1.00 72.32 N ATOM 1126 CA THR A 70 12.893 -15.720 -17.096 1.00 74.34 C ATOM 1127 C THR A 70 13.579 -14.597 -16.326 1.00 61.25 C ATOM 1128 O THR A 70 14.048 -13.624 -16.914 1.00 63.44 O ATOM 1129 CB THR A 70 13.044 -15.458 -18.607 1.00 23.14 C ATOM 1130 OG1 THR A 70 11.993 -16.113 -19.325 1.00 11.31 O ATOM 1131 CG2 THR A 70 14.393 -15.952 -19.109 1.00 35.23 C ATOM 0 H THR A 70 11.096 -14.997 -16.297 1.00 72.32 H new ATOM 0 HA THR A 70 13.369 -16.669 -16.850 1.00 74.34 H new ATOM 0 HB THR A 70 12.983 -14.383 -18.775 1.00 23.14 H new ATOM 0 HG1 THR A 70 12.095 -15.940 -20.284 1.00 11.31 H new ATOM 0 HG21 THR A 70 14.477 -15.757 -20.178 1.00 35.23 H new ATOM 0 HG22 THR A 70 15.191 -15.430 -18.581 1.00 35.23 H new ATOM 0 HG23 THR A 70 14.478 -17.024 -18.928 1.00 35.23 H new ATOM 1139 N GLY A 71 13.632 -14.739 -15.005 1.00 24.54 N ATOM 1140 CA GLY A 71 14.264 -13.729 -14.175 1.00 70.54 C ATOM 1141 C GLY A 71 14.684 -14.270 -12.824 1.00 5.41 C ATOM 1142 O GLY A 71 14.467 -15.443 -12.522 1.00 4.33 O ATOM 0 H GLY A 71 13.249 -15.535 -14.495 1.00 24.54 H new ATOM 0 HA2 GLY A 71 15.138 -13.333 -14.692 1.00 70.54 H new ATOM 0 HA3 GLY A 71 13.574 -12.897 -14.032 1.00 70.54 H new ATOM 1146 N SER A 72 15.290 -13.412 -12.008 1.00 53.01 N ATOM 1147 CA SER A 72 15.747 -13.812 -10.682 1.00 4.52 C ATOM 1148 C SER A 72 14.577 -13.908 -9.709 1.00 53.22 C ATOM 1149 O SER A 72 13.471 -13.458 -10.008 1.00 15.14 O ATOM 1150 CB SER A 72 16.782 -12.815 -10.156 1.00 30.13 C ATOM 1151 OG SER A 72 16.172 -11.826 -9.344 1.00 31.44 O ATOM 0 H SER A 72 15.475 -12.437 -12.242 1.00 53.01 H new ATOM 0 HA SER A 72 16.208 -14.796 -10.765 1.00 4.52 H new ATOM 0 HB2 SER A 72 17.542 -13.344 -9.581 1.00 30.13 H new ATOM 0 HB3 SER A 72 17.291 -12.339 -10.994 1.00 30.13 H new ATOM 0 HG SER A 72 16.855 -11.203 -9.019 1.00 31.44 H new ATOM 1157 N GLU A 73 14.829 -14.498 -8.545 1.00 55.10 N ATOM 1158 CA GLU A 73 13.795 -14.654 -7.529 1.00 3.03 C ATOM 1159 C GLU A 73 13.419 -13.305 -6.922 1.00 43.22 C ATOM 1160 O GLU A 73 12.243 -13.012 -6.714 1.00 22.13 O ATOM 1161 CB GLU A 73 14.271 -15.605 -6.428 1.00 54.20 C ATOM 1162 CG GLU A 73 14.594 -17.003 -6.929 1.00 1.42 C ATOM 1163 CD GLU A 73 14.831 -17.987 -5.800 1.00 73.01 C ATOM 1164 OE1 GLU A 73 14.505 -17.652 -4.642 1.00 61.22 O ATOM 1165 OE2 GLU A 73 15.343 -19.092 -6.075 1.00 61.42 O ATOM 0 H GLU A 73 15.739 -14.876 -8.282 1.00 55.10 H new ATOM 0 HA GLU A 73 12.912 -15.076 -8.009 1.00 3.03 H new ATOM 0 HB2 GLU A 73 15.158 -15.184 -5.954 1.00 54.20 H new ATOM 0 HB3 GLU A 73 13.501 -15.672 -5.660 1.00 54.20 H new ATOM 0 HG2 GLU A 73 13.774 -17.360 -7.551 1.00 1.42 H new ATOM 0 HG3 GLU A 73 15.480 -16.962 -7.562 1.00 1.42 H new ATOM 1172 N ASN A 74 14.429 -12.488 -6.642 1.00 40.20 N ATOM 1173 CA ASN A 74 14.206 -11.170 -6.059 1.00 12.41 C ATOM 1174 C ASN A 74 13.302 -10.326 -6.952 1.00 44.42 C ATOM 1175 O ASN A 74 12.673 -9.371 -6.493 1.00 34.24 O ATOM 1176 CB ASN A 74 15.539 -10.452 -5.840 1.00 65.33 C ATOM 1177 CG ASN A 74 15.942 -10.412 -4.379 1.00 14.21 C ATOM 1178 OD1 ASN A 74 15.379 -9.654 -3.589 1.00 13.03 O ATOM 1179 ND2 ASN A 74 16.922 -11.229 -4.012 1.00 21.44 N ATOM 0 H ASN A 74 15.409 -12.715 -6.809 1.00 40.20 H new ATOM 0 HA ASN A 74 13.713 -11.306 -5.097 1.00 12.41 H new ATOM 0 HB2 ASN A 74 16.317 -10.954 -6.415 1.00 65.33 H new ATOM 0 HB3 ASN A 74 15.467 -9.434 -6.222 1.00 65.33 H new ATOM 0 HD21 ASN A 74 17.236 -11.245 -3.042 1.00 21.44 H new ATOM 0 HD22 ASN A 74 17.361 -11.841 -4.700 1.00 21.44 H new ATOM 1186 N LEU A 75 13.244 -10.683 -8.230 1.00 12.40 N ATOM 1187 CA LEU A 75 12.416 -9.958 -9.190 1.00 23.15 C ATOM 1188 C LEU A 75 10.958 -10.396 -9.091 1.00 64.45 C ATOM 1189 O LEU A 75 10.050 -9.567 -9.061 1.00 44.41 O ATOM 1190 CB LEU A 75 12.934 -10.183 -10.611 1.00 55.05 C ATOM 1191 CG LEU A 75 11.973 -9.813 -11.742 1.00 22.34 C ATOM 1192 CD1 LEU A 75 12.730 -9.185 -12.901 1.00 73.43 C ATOM 1193 CD2 LEU A 75 11.201 -11.039 -12.208 1.00 70.31 C ATOM 0 H LEU A 75 13.759 -11.469 -8.626 1.00 12.40 H new ATOM 0 HA LEU A 75 12.473 -8.895 -8.954 1.00 23.15 H new ATOM 0 HB2 LEU A 75 13.851 -9.607 -10.737 1.00 55.05 H new ATOM 0 HB3 LEU A 75 13.200 -11.235 -10.717 1.00 55.05 H new ATOM 0 HG LEU A 75 11.259 -9.082 -11.362 1.00 22.34 H new ATOM 0 HD11 LEU A 75 12.030 -8.928 -13.696 1.00 73.43 H new ATOM 0 HD12 LEU A 75 13.237 -8.283 -12.558 1.00 73.43 H new ATOM 0 HD13 LEU A 75 13.467 -9.893 -13.281 1.00 73.43 H new ATOM 0 HD21 LEU A 75 10.522 -10.757 -13.013 1.00 70.31 H new ATOM 0 HD22 LEU A 75 11.900 -11.793 -12.570 1.00 70.31 H new ATOM 0 HD23 LEU A 75 10.627 -11.446 -11.375 1.00 70.31 H new ATOM 1205 N LYS A 76 10.742 -11.707 -9.039 1.00 40.34 N ATOM 1206 CA LYS A 76 9.395 -12.256 -8.941 1.00 21.52 C ATOM 1207 C LYS A 76 8.653 -11.667 -7.747 1.00 34.21 C ATOM 1208 O LYS A 76 7.450 -11.416 -7.813 1.00 50.35 O ATOM 1209 CB LYS A 76 9.453 -13.781 -8.818 1.00 22.13 C ATOM 1210 CG LYS A 76 8.526 -14.504 -9.779 1.00 10.11 C ATOM 1211 CD LYS A 76 8.386 -15.974 -9.421 1.00 25.42 C ATOM 1212 CE LYS A 76 9.709 -16.711 -9.569 1.00 62.04 C ATOM 1213 NZ LYS A 76 10.462 -16.766 -8.286 1.00 53.52 N ATOM 0 H LYS A 76 11.483 -12.408 -9.063 1.00 40.34 H new ATOM 0 HA LYS A 76 8.854 -11.990 -9.849 1.00 21.52 H new ATOM 0 HB2 LYS A 76 10.476 -14.113 -8.994 1.00 22.13 H new ATOM 0 HB3 LYS A 76 9.198 -14.065 -7.797 1.00 22.13 H new ATOM 0 HG2 LYS A 76 7.544 -14.030 -9.765 1.00 10.11 H new ATOM 0 HG3 LYS A 76 8.910 -14.411 -10.795 1.00 10.11 H new ATOM 0 HD2 LYS A 76 8.029 -16.068 -8.396 1.00 25.42 H new ATOM 0 HD3 LYS A 76 7.637 -16.436 -10.063 1.00 25.42 H new ATOM 0 HE2 LYS A 76 9.522 -17.725 -9.924 1.00 62.04 H new ATOM 0 HE3 LYS A 76 10.317 -16.216 -10.326 1.00 62.04 H new ATOM 0 HZ1 LYS A 76 11.076 -17.605 -8.280 1.00 53.52 H new ATOM 0 HZ2 LYS A 76 11.044 -15.910 -8.188 1.00 53.52 H new ATOM 0 HZ3 LYS A 76 9.792 -16.821 -7.492 1.00 53.52 H new ATOM 1227 N SER A 77 9.379 -11.447 -6.654 1.00 73.43 N ATOM 1228 CA SER A 77 8.787 -10.889 -5.443 1.00 41.14 C ATOM 1229 C SER A 77 8.191 -9.511 -5.715 1.00 60.33 C ATOM 1230 O SER A 77 7.073 -9.211 -5.294 1.00 43.43 O ATOM 1231 CB SER A 77 9.838 -10.793 -4.336 1.00 12.52 C ATOM 1232 OG SER A 77 9.955 -12.020 -3.637 1.00 13.32 O ATOM 0 H SER A 77 10.377 -11.647 -6.583 1.00 73.43 H new ATOM 0 HA SER A 77 7.987 -11.554 -5.119 1.00 41.14 H new ATOM 0 HB2 SER A 77 10.802 -10.523 -4.768 1.00 12.52 H new ATOM 0 HB3 SER A 77 9.567 -9.999 -3.640 1.00 12.52 H new ATOM 0 HG SER A 77 9.788 -11.870 -2.683 1.00 13.32 H new ATOM 1238 N LEU A 78 8.945 -8.677 -6.424 1.00 12.14 N ATOM 1239 CA LEU A 78 8.492 -7.329 -6.752 1.00 42.02 C ATOM 1240 C LEU A 78 7.273 -7.374 -7.667 1.00 45.45 C ATOM 1241 O LEU A 78 6.338 -6.587 -7.511 1.00 72.45 O ATOM 1242 CB LEU A 78 9.619 -6.542 -7.423 1.00 11.12 C ATOM 1243 CG LEU A 78 9.216 -5.222 -8.082 1.00 72.11 C ATOM 1244 CD1 LEU A 78 8.771 -4.215 -7.032 1.00 65.43 C ATOM 1245 CD2 LEU A 78 10.367 -4.663 -8.906 1.00 75.32 C ATOM 0 H LEU A 78 9.871 -8.910 -6.782 1.00 12.14 H new ATOM 0 HA LEU A 78 8.210 -6.830 -5.825 1.00 42.02 H new ATOM 0 HB2 LEU A 78 10.384 -6.333 -6.675 1.00 11.12 H new ATOM 0 HB3 LEU A 78 10.078 -7.178 -8.180 1.00 11.12 H new ATOM 0 HG LEU A 78 8.377 -5.414 -8.751 1.00 72.11 H new ATOM 0 HD11 LEU A 78 8.488 -3.282 -7.519 1.00 65.43 H new ATOM 0 HD12 LEU A 78 7.916 -4.613 -6.486 1.00 65.43 H new ATOM 0 HD13 LEU A 78 9.590 -4.028 -6.337 1.00 65.43 H new ATOM 0 HD21 LEU A 78 10.062 -3.724 -9.367 1.00 75.32 H new ATOM 0 HD22 LEU A 78 11.226 -4.487 -8.259 1.00 75.32 H new ATOM 0 HD23 LEU A 78 10.639 -5.377 -9.683 1.00 75.32 H new ATOM 1257 N PHE A 79 7.289 -8.298 -8.622 1.00 32.22 N ATOM 1258 CA PHE A 79 6.183 -8.445 -9.562 1.00 71.20 C ATOM 1259 C PHE A 79 4.863 -8.639 -8.823 1.00 75.52 C ATOM 1260 O PHE A 79 3.855 -8.020 -9.159 1.00 15.30 O ATOM 1261 CB PHE A 79 6.436 -9.630 -10.497 1.00 62.23 C ATOM 1262 CG PHE A 79 5.344 -9.841 -11.505 1.00 54.43 C ATOM 1263 CD1 PHE A 79 4.930 -8.804 -12.327 1.00 30.43 C ATOM 1264 CD2 PHE A 79 4.729 -11.077 -11.632 1.00 13.13 C ATOM 1265 CE1 PHE A 79 3.924 -8.996 -13.256 1.00 45.04 C ATOM 1266 CE2 PHE A 79 3.723 -11.273 -12.560 1.00 32.40 C ATOM 1267 CZ PHE A 79 3.320 -10.231 -13.371 1.00 62.25 C ATOM 0 H PHE A 79 8.055 -8.956 -8.766 1.00 32.22 H new ATOM 0 HA PHE A 79 6.117 -7.531 -10.153 1.00 71.20 H new ATOM 0 HB2 PHE A 79 7.379 -9.474 -11.022 1.00 62.23 H new ATOM 0 HB3 PHE A 79 6.549 -10.535 -9.901 1.00 62.23 H new ATOM 0 HD1 PHE A 79 5.399 -7.835 -12.241 1.00 30.43 H new ATOM 0 HD2 PHE A 79 5.039 -11.896 -10.999 1.00 13.13 H new ATOM 0 HE1 PHE A 79 3.611 -8.180 -13.891 1.00 45.04 H new ATOM 0 HE2 PHE A 79 3.253 -12.241 -12.650 1.00 32.40 H new ATOM 0 HZ PHE A 79 2.533 -10.382 -14.095 1.00 62.25 H new ATOM 1277 N ASN A 80 4.878 -9.504 -7.814 1.00 53.12 N ATOM 1278 CA ASN A 80 3.681 -9.781 -7.027 1.00 20.33 C ATOM 1279 C ASN A 80 3.302 -8.577 -6.171 1.00 41.24 C ATOM 1280 O ASN A 80 2.125 -8.343 -5.894 1.00 24.43 O ATOM 1281 CB ASN A 80 3.905 -11.005 -6.134 1.00 41.35 C ATOM 1282 CG ASN A 80 3.232 -12.249 -6.681 1.00 12.41 C ATOM 1283 OD1 ASN A 80 2.998 -12.365 -7.884 1.00 1.50 O ATOM 1284 ND2 ASN A 80 2.915 -13.187 -5.797 1.00 24.55 N ATOM 0 H ASN A 80 5.705 -10.025 -7.522 1.00 53.12 H new ATOM 0 HA ASN A 80 2.862 -9.986 -7.717 1.00 20.33 H new ATOM 0 HB2 ASN A 80 4.975 -11.188 -6.034 1.00 41.35 H new ATOM 0 HB3 ASN A 80 3.522 -10.798 -5.135 1.00 41.35 H new ATOM 0 HD21 ASN A 80 2.459 -14.046 -6.106 1.00 24.55 H new ATOM 0 HD22 ASN A 80 3.127 -13.049 -4.809 1.00 24.55 H new ATOM 1291 N THR A 81 4.307 -7.813 -5.755 1.00 3.21 N ATOM 1292 CA THR A 81 4.080 -6.632 -4.931 1.00 62.33 C ATOM 1293 C THR A 81 3.486 -5.494 -5.753 1.00 31.20 C ATOM 1294 O THR A 81 2.640 -4.742 -5.270 1.00 15.15 O ATOM 1295 CB THR A 81 5.386 -6.147 -4.272 1.00 32.22 C ATOM 1296 OG1 THR A 81 6.052 -7.246 -3.639 1.00 14.53 O ATOM 1297 CG2 THR A 81 5.103 -5.060 -3.247 1.00 32.32 C ATOM 0 H THR A 81 5.287 -7.991 -5.975 1.00 3.21 H new ATOM 0 HA THR A 81 3.374 -6.921 -4.152 1.00 62.33 H new ATOM 0 HB THR A 81 6.028 -5.733 -5.049 1.00 32.22 H new ATOM 0 HG1 THR A 81 6.395 -7.858 -4.323 1.00 14.53 H new ATOM 0 HG21 THR A 81 6.040 -4.733 -2.795 1.00 32.32 H new ATOM 0 HG22 THR A 81 4.622 -4.214 -3.738 1.00 32.32 H new ATOM 0 HG23 THR A 81 4.444 -5.453 -2.473 1.00 32.32 H new ATOM 1305 N VAL A 82 3.935 -5.373 -6.998 1.00 53.13 N ATOM 1306 CA VAL A 82 3.445 -4.327 -7.888 1.00 30.03 C ATOM 1307 C VAL A 82 1.928 -4.389 -8.028 1.00 63.44 C ATOM 1308 O VAL A 82 1.228 -3.417 -7.744 1.00 20.13 O ATOM 1309 CB VAL A 82 4.084 -4.434 -9.286 1.00 14.14 C ATOM 1310 CG1 VAL A 82 3.533 -3.358 -10.209 1.00 60.31 C ATOM 1311 CG2 VAL A 82 5.599 -4.339 -9.187 1.00 3.35 C ATOM 0 H VAL A 82 4.637 -5.986 -7.413 1.00 53.13 H new ATOM 0 HA VAL A 82 3.726 -3.374 -7.440 1.00 30.03 H new ATOM 0 HB VAL A 82 3.830 -5.406 -9.709 1.00 14.14 H new ATOM 0 HG11 VAL A 82 3.996 -3.449 -11.192 1.00 60.31 H new ATOM 0 HG12 VAL A 82 2.454 -3.478 -10.304 1.00 60.31 H new ATOM 0 HG13 VAL A 82 3.754 -2.375 -9.794 1.00 60.31 H new ATOM 0 HG21 VAL A 82 6.034 -4.416 -10.183 1.00 3.35 H new ATOM 0 HG22 VAL A 82 5.875 -3.382 -8.744 1.00 3.35 H new ATOM 0 HG23 VAL A 82 5.974 -5.150 -8.563 1.00 3.35 H new ATOM 1321 N CYS A 83 1.427 -5.539 -8.468 1.00 25.20 N ATOM 1322 CA CYS A 83 -0.007 -5.730 -8.648 1.00 2.54 C ATOM 1323 C CYS A 83 -0.777 -5.232 -7.429 1.00 13.15 C ATOM 1324 O CYS A 83 -1.860 -4.660 -7.556 1.00 13.22 O ATOM 1325 CB CYS A 83 -0.320 -7.205 -8.896 1.00 64.23 C ATOM 1326 SG CYS A 83 -0.297 -7.680 -10.640 1.00 33.41 S ATOM 0 H CYS A 83 1.994 -6.353 -8.706 1.00 25.20 H new ATOM 0 HA CYS A 83 -0.320 -5.150 -9.516 1.00 2.54 H new ATOM 0 HB2 CYS A 83 0.403 -7.815 -8.355 1.00 64.23 H new ATOM 0 HB3 CYS A 83 -1.302 -7.432 -8.481 1.00 64.23 H new ATOM 0 HG CYS A 83 0.063 -8.925 -10.746 1.00 33.41 H new ATOM 1332 N VAL A 84 -0.213 -5.456 -6.246 1.00 50.32 N ATOM 1333 CA VAL A 84 -0.847 -5.030 -5.004 1.00 22.41 C ATOM 1334 C VAL A 84 -1.004 -3.515 -4.957 1.00 54.43 C ATOM 1335 O VAL A 84 -2.057 -3.002 -4.576 1.00 74.15 O ATOM 1336 CB VAL A 84 -0.038 -5.489 -3.776 1.00 23.13 C ATOM 1337 CG1 VAL A 84 -0.761 -5.118 -2.491 1.00 10.54 C ATOM 1338 CG2 VAL A 84 0.222 -6.987 -3.838 1.00 2.33 C ATOM 0 H VAL A 84 0.682 -5.930 -6.122 1.00 50.32 H new ATOM 0 HA VAL A 84 -1.833 -5.495 -4.977 1.00 22.41 H new ATOM 0 HB VAL A 84 0.924 -4.976 -3.784 1.00 23.13 H new ATOM 0 HG11 VAL A 84 -0.174 -5.450 -1.635 1.00 10.54 H new ATOM 0 HG12 VAL A 84 -0.890 -4.037 -2.445 1.00 10.54 H new ATOM 0 HG13 VAL A 84 -1.738 -5.601 -2.471 1.00 10.54 H new ATOM 0 HG21 VAL A 84 0.795 -7.293 -2.963 1.00 2.33 H new ATOM 0 HG22 VAL A 84 -0.728 -7.521 -3.855 1.00 2.33 H new ATOM 0 HG23 VAL A 84 0.786 -7.221 -4.741 1.00 2.33 H new ATOM 1348 N ILE A 85 0.048 -2.803 -5.348 1.00 34.44 N ATOM 1349 CA ILE A 85 0.024 -1.347 -5.352 1.00 3.24 C ATOM 1350 C ILE A 85 -0.965 -0.815 -6.384 1.00 73.32 C ATOM 1351 O ILE A 85 -1.798 0.038 -6.078 1.00 34.12 O ATOM 1352 CB ILE A 85 1.418 -0.762 -5.646 1.00 64.35 C ATOM 1353 CG1 ILE A 85 2.460 -1.372 -4.706 1.00 41.50 C ATOM 1354 CG2 ILE A 85 1.398 0.753 -5.511 1.00 54.34 C ATOM 1355 CD1 ILE A 85 2.308 -0.929 -3.268 1.00 71.22 C ATOM 0 H ILE A 85 0.927 -3.212 -5.666 1.00 34.44 H new ATOM 0 HA ILE A 85 -0.291 -1.035 -4.356 1.00 3.24 H new ATOM 0 HB ILE A 85 1.690 -1.011 -6.672 1.00 64.35 H new ATOM 0 HG12 ILE A 85 2.388 -2.459 -4.753 1.00 41.50 H new ATOM 0 HG13 ILE A 85 3.456 -1.103 -5.057 1.00 41.50 H new ATOM 0 HG21 ILE A 85 2.391 1.150 -5.722 1.00 54.34 H new ATOM 0 HG22 ILE A 85 0.682 1.172 -6.218 1.00 54.34 H new ATOM 0 HG23 ILE A 85 1.107 1.024 -4.496 1.00 54.34 H new ATOM 0 HD11 ILE A 85 3.079 -1.400 -2.659 1.00 71.22 H new ATOM 0 HD12 ILE A 85 2.410 0.155 -3.208 1.00 71.22 H new ATOM 0 HD13 ILE A 85 1.325 -1.222 -2.899 1.00 71.22 H new ATOM 1367 N TRP A 86 -0.869 -1.328 -7.606 1.00 5.42 N ATOM 1368 CA TRP A 86 -1.758 -0.906 -8.682 1.00 64.04 C ATOM 1369 C TRP A 86 -3.218 -1.059 -8.275 1.00 32.13 C ATOM 1370 O TRP A 86 -4.042 -0.184 -8.543 1.00 41.20 O ATOM 1371 CB TRP A 86 -1.480 -1.720 -9.947 1.00 50.02 C ATOM 1372 CG TRP A 86 -2.343 -1.326 -11.108 1.00 43.01 C ATOM 1373 CD1 TRP A 86 -2.002 -0.494 -12.137 1.00 31.04 C ATOM 1374 CD2 TRP A 86 -3.688 -1.745 -11.358 1.00 51.12 C ATOM 1375 NE1 TRP A 86 -3.056 -0.371 -13.010 1.00 42.24 N ATOM 1376 CE2 TRP A 86 -4.101 -1.130 -12.556 1.00 50.12 C ATOM 1377 CE3 TRP A 86 -4.584 -2.583 -10.688 1.00 13.43 C ATOM 1378 CZ2 TRP A 86 -5.371 -1.326 -13.094 1.00 44.42 C ATOM 1379 CZ3 TRP A 86 -5.843 -2.776 -11.223 1.00 10.51 C ATOM 1380 CH2 TRP A 86 -6.227 -2.150 -12.416 1.00 43.33 C ATOM 0 H TRP A 86 -0.186 -2.036 -7.876 1.00 5.42 H new ATOM 0 HA TRP A 86 -1.567 0.148 -8.886 1.00 64.04 H new ATOM 0 HB2 TRP A 86 -0.433 -1.600 -10.225 1.00 50.02 H new ATOM 0 HB3 TRP A 86 -1.634 -2.777 -9.731 1.00 50.02 H new ATOM 0 HD1 TRP A 86 -1.045 -0.005 -12.248 1.00 31.04 H new ATOM 0 HE1 TRP A 86 -3.059 0.194 -13.859 1.00 42.24 H new ATOM 0 HE3 TRP A 86 -4.297 -3.071 -9.768 1.00 13.43 H new ATOM 0 HZ2 TRP A 86 -5.669 -0.845 -14.014 1.00 44.42 H new ATOM 0 HZ3 TRP A 86 -6.543 -3.421 -10.713 1.00 10.51 H new ATOM 0 HH2 TRP A 86 -7.219 -2.321 -12.808 1.00 43.33 H new ATOM 1391 N CYS A 87 -3.533 -2.174 -7.625 1.00 32.13 N ATOM 1392 CA CYS A 87 -4.896 -2.441 -7.180 1.00 72.05 C ATOM 1393 C CYS A 87 -5.393 -1.335 -6.255 1.00 32.41 C ATOM 1394 O CYS A 87 -6.447 -0.743 -6.488 1.00 31.14 O ATOM 1395 CB CYS A 87 -4.967 -3.791 -6.466 1.00 3.32 C ATOM 1396 SG CYS A 87 -5.490 -5.161 -7.524 1.00 42.41 S ATOM 0 H CYS A 87 -2.863 -2.908 -7.394 1.00 32.13 H new ATOM 0 HA CYS A 87 -5.539 -2.470 -8.059 1.00 72.05 H new ATOM 0 HB2 CYS A 87 -3.986 -4.022 -6.050 1.00 3.32 H new ATOM 0 HB3 CYS A 87 -5.658 -3.710 -5.627 1.00 3.32 H new ATOM 0 HG CYS A 87 -5.922 -6.139 -6.785 1.00 42.41 H new ATOM 1402 N ILE A 88 -4.627 -1.062 -5.204 1.00 32.31 N ATOM 1403 CA ILE A 88 -4.989 -0.029 -4.242 1.00 12.12 C ATOM 1404 C ILE A 88 -5.327 1.282 -4.945 1.00 43.04 C ATOM 1405 O ILE A 88 -6.256 1.987 -4.554 1.00 14.50 O ATOM 1406 CB ILE A 88 -3.855 0.222 -3.231 1.00 33.12 C ATOM 1407 CG1 ILE A 88 -3.528 -1.065 -2.470 1.00 65.45 C ATOM 1408 CG2 ILE A 88 -4.244 1.330 -2.263 1.00 0.02 C ATOM 1409 CD1 ILE A 88 -2.117 -1.102 -1.927 1.00 65.00 C ATOM 0 H ILE A 88 -3.751 -1.542 -4.997 1.00 32.31 H new ATOM 0 HA ILE A 88 -5.868 -0.390 -3.707 1.00 12.12 H new ATOM 0 HB ILE A 88 -2.965 0.537 -3.776 1.00 33.12 H new ATOM 0 HG12 ILE A 88 -4.230 -1.178 -1.644 1.00 65.45 H new ATOM 0 HG13 ILE A 88 -3.676 -1.917 -3.133 1.00 65.45 H new ATOM 0 HG21 ILE A 88 -3.432 1.496 -1.555 1.00 0.02 H new ATOM 0 HG22 ILE A 88 -4.434 2.248 -2.819 1.00 0.02 H new ATOM 0 HG23 ILE A 88 -5.145 1.041 -1.722 1.00 0.02 H new ATOM 0 HD11 ILE A 88 -1.955 -2.042 -1.400 1.00 65.00 H new ATOM 0 HD12 ILE A 88 -1.408 -1.021 -2.751 1.00 65.00 H new ATOM 0 HD13 ILE A 88 -1.970 -0.270 -1.239 1.00 65.00 H new ATOM 1421 N HIS A 89 -4.565 1.600 -5.987 1.00 51.53 N ATOM 1422 CA HIS A 89 -4.785 2.826 -6.749 1.00 43.20 C ATOM 1423 C HIS A 89 -5.965 2.668 -7.702 1.00 73.24 C ATOM 1424 O HIS A 89 -6.671 3.657 -7.898 1.00 21.21 O ATOM 1425 CB HIS A 89 -3.525 3.196 -7.534 1.00 12.43 C ATOM 1426 CG HIS A 89 -2.334 3.461 -6.665 1.00 54.15 C ATOM 1427 ND1 HIS A 89 -2.434 3.912 -5.367 1.00 14.44 N ATOM 1428 CD2 HIS A 89 -1.010 3.334 -6.916 1.00 64.05 C ATOM 1429 CE1 HIS A 89 -1.225 4.053 -4.857 1.00 24.40 C ATOM 1430 NE2 HIS A 89 -0.342 3.707 -5.777 1.00 63.11 N ATOM 0 H HIS A 89 -3.791 1.027 -6.323 1.00 51.53 H new ATOM 0 HA HIS A 89 -5.014 3.627 -6.046 1.00 43.20 H new ATOM 0 HB2 HIS A 89 -3.287 2.388 -8.225 1.00 12.43 H new ATOM 0 HB3 HIS A 89 -3.729 4.081 -8.136 1.00 12.43 H new ATOM 0 HD2 HIS A 89 -0.563 3.001 -7.841 1.00 64.05 H new ATOM 0 HE1 HIS A 89 -0.996 4.393 -3.858 1.00 24.40 H new ATOM 0 HE2 HIS A 89 0.671 3.716 -5.660 1.00 63.11 H new ATOM 1438 N ALA A 90 -6.190 1.493 -8.282 1.00 12.04 N ATOM 1439 CA ALA A 90 -7.306 1.294 -9.198 1.00 45.02 C ATOM 1440 C ALA A 90 -8.602 1.036 -8.436 1.00 60.34 C ATOM 1441 O ALA A 90 -9.641 0.763 -9.037 1.00 61.34 O ATOM 1442 CB ALA A 90 -7.010 0.142 -10.147 1.00 54.33 C ATOM 0 H ALA A 90 -5.614 0.665 -8.133 1.00 12.04 H new ATOM 0 HA ALA A 90 -7.434 2.206 -9.781 1.00 45.02 H new ATOM 0 HB1 ALA A 90 -7.852 0.004 -10.826 1.00 54.33 H new ATOM 0 HB2 ALA A 90 -6.112 0.367 -10.723 1.00 54.33 H new ATOM 0 HB3 ALA A 90 -6.854 -0.771 -9.573 1.00 54.33 H new ATOM 1448 N GLU A 91 -8.532 1.121 -7.112 1.00 21.31 N ATOM 1449 CA GLU A 91 -9.700 0.895 -6.270 1.00 75.14 C ATOM 1450 C GLU A 91 -10.145 -0.564 -6.338 1.00 4.42 C ATOM 1451 O GLU A 91 -11.292 -0.859 -6.671 1.00 44.31 O ATOM 1452 CB GLU A 91 -10.850 1.810 -6.697 1.00 21.50 C ATOM 1453 CG GLU A 91 -11.771 2.204 -5.554 1.00 64.02 C ATOM 1454 CD GLU A 91 -12.480 3.521 -5.805 1.00 4.21 C ATOM 1455 OE1 GLU A 91 -13.054 3.685 -6.902 1.00 31.22 O ATOM 1456 OE2 GLU A 91 -12.460 4.387 -4.906 1.00 11.53 O ATOM 0 H GLU A 91 -7.679 1.345 -6.599 1.00 21.31 H new ATOM 0 HA GLU A 91 -9.424 1.126 -5.241 1.00 75.14 H new ATOM 0 HB2 GLU A 91 -10.437 2.713 -7.147 1.00 21.50 H new ATOM 0 HB3 GLU A 91 -11.435 1.308 -7.468 1.00 21.50 H new ATOM 0 HG2 GLU A 91 -12.512 1.419 -5.402 1.00 64.02 H new ATOM 0 HG3 GLU A 91 -11.191 2.277 -4.634 1.00 64.02 H new ATOM 1463 N GLU A 92 -9.228 -1.472 -6.018 1.00 44.04 N ATOM 1464 CA GLU A 92 -9.524 -2.899 -6.044 1.00 11.10 C ATOM 1465 C GLU A 92 -9.277 -3.531 -4.678 1.00 12.31 C ATOM 1466 O GLU A 92 -8.190 -3.410 -4.112 1.00 15.11 O ATOM 1467 CB GLU A 92 -8.673 -3.600 -7.105 1.00 22.42 C ATOM 1468 CG GLU A 92 -9.235 -3.483 -8.512 1.00 22.12 C ATOM 1469 CD GLU A 92 -10.573 -4.178 -8.666 1.00 31.23 C ATOM 1470 OE1 GLU A 92 -11.044 -4.786 -7.681 1.00 42.11 O ATOM 1471 OE2 GLU A 92 -11.151 -4.115 -9.771 1.00 23.33 O ATOM 0 H GLU A 92 -8.274 -1.244 -5.738 1.00 44.04 H new ATOM 0 HA GLU A 92 -10.578 -3.021 -6.296 1.00 11.10 H new ATOM 0 HB2 GLU A 92 -7.668 -3.179 -7.088 1.00 22.42 H new ATOM 0 HB3 GLU A 92 -8.581 -4.655 -6.846 1.00 22.42 H new ATOM 0 HG2 GLU A 92 -9.346 -2.429 -8.768 1.00 22.12 H new ATOM 0 HG3 GLU A 92 -8.524 -3.910 -9.220 1.00 22.12 H new ATOM 1478 N LYS A 93 -10.293 -4.206 -4.152 1.00 74.24 N ATOM 1479 CA LYS A 93 -10.189 -4.859 -2.853 1.00 13.32 C ATOM 1480 C LYS A 93 -9.836 -6.335 -3.011 1.00 53.54 C ATOM 1481 O LYS A 93 -10.493 -7.063 -3.754 1.00 51.45 O ATOM 1482 CB LYS A 93 -11.503 -4.717 -2.080 1.00 30.52 C ATOM 1483 CG LYS A 93 -11.643 -3.390 -1.356 1.00 5.02 C ATOM 1484 CD LYS A 93 -12.543 -3.510 -0.138 1.00 74.24 C ATOM 1485 CE LYS A 93 -13.182 -2.177 0.217 1.00 31.11 C ATOM 1486 NZ LYS A 93 -13.178 -1.934 1.687 1.00 60.13 N ATOM 0 H LYS A 93 -11.200 -4.315 -4.607 1.00 74.24 H new ATOM 0 HA LYS A 93 -9.391 -4.371 -2.293 1.00 13.32 H new ATOM 0 HB2 LYS A 93 -12.336 -4.833 -2.773 1.00 30.52 H new ATOM 0 HB3 LYS A 93 -11.577 -5.527 -1.354 1.00 30.52 H new ATOM 0 HG2 LYS A 93 -10.659 -3.037 -1.048 1.00 5.02 H new ATOM 0 HG3 LYS A 93 -12.050 -2.644 -2.038 1.00 5.02 H new ATOM 0 HD2 LYS A 93 -13.322 -4.248 -0.331 1.00 74.24 H new ATOM 0 HD3 LYS A 93 -11.963 -3.874 0.710 1.00 74.24 H new ATOM 0 HE2 LYS A 93 -12.646 -1.372 -0.286 1.00 31.11 H new ATOM 0 HE3 LYS A 93 -14.207 -2.156 -0.152 1.00 31.11 H new ATOM 0 HZ1 LYS A 93 -13.833 -1.158 1.912 1.00 60.13 H new ATOM 0 HZ2 LYS A 93 -13.480 -2.797 2.182 1.00 60.13 H new ATOM 0 HZ3 LYS A 93 -12.218 -1.677 1.994 1.00 60.13 H new ATOM 1500 N VAL A 94 -8.797 -6.769 -2.306 1.00 60.23 N ATOM 1501 CA VAL A 94 -8.359 -8.159 -2.368 1.00 2.44 C ATOM 1502 C VAL A 94 -7.973 -8.675 -0.986 1.00 14.35 C ATOM 1503 O VAL A 94 -7.543 -7.909 -0.123 1.00 64.54 O ATOM 1504 CB VAL A 94 -7.160 -8.328 -3.320 1.00 14.30 C ATOM 1505 CG1 VAL A 94 -7.523 -7.866 -4.723 1.00 43.43 C ATOM 1506 CG2 VAL A 94 -5.952 -7.568 -2.794 1.00 51.05 C ATOM 0 H VAL A 94 -8.243 -6.179 -1.685 1.00 60.23 H new ATOM 0 HA VAL A 94 -9.200 -8.739 -2.748 1.00 2.44 H new ATOM 0 HB VAL A 94 -6.902 -9.386 -3.368 1.00 14.30 H new ATOM 0 HG11 VAL A 94 -6.664 -7.993 -5.382 1.00 43.43 H new ATOM 0 HG12 VAL A 94 -8.357 -8.459 -5.097 1.00 43.43 H new ATOM 0 HG13 VAL A 94 -7.808 -6.814 -4.697 1.00 43.43 H new ATOM 0 HG21 VAL A 94 -5.114 -7.698 -3.479 1.00 51.05 H new ATOM 0 HG22 VAL A 94 -6.195 -6.508 -2.715 1.00 51.05 H new ATOM 0 HG23 VAL A 94 -5.680 -7.952 -1.811 1.00 51.05 H new ATOM 1516 N LYS A 95 -8.130 -9.978 -0.782 1.00 3.01 N ATOM 1517 CA LYS A 95 -7.797 -10.598 0.494 1.00 32.52 C ATOM 1518 C LYS A 95 -6.305 -10.905 0.577 1.00 12.14 C ATOM 1519 O LYS A 95 -5.690 -10.764 1.634 1.00 32.33 O ATOM 1520 CB LYS A 95 -8.604 -11.886 0.685 1.00 2.43 C ATOM 1521 CG LYS A 95 -9.676 -11.777 1.755 1.00 35.22 C ATOM 1522 CD LYS A 95 -10.022 -13.138 2.337 1.00 51.04 C ATOM 1523 CE LYS A 95 -11.516 -13.271 2.593 1.00 50.40 C ATOM 1524 NZ LYS A 95 -11.813 -14.318 3.608 1.00 73.00 N ATOM 0 H LYS A 95 -8.486 -10.626 -1.485 1.00 3.01 H new ATOM 0 HA LYS A 95 -8.051 -9.895 1.288 1.00 32.52 H new ATOM 0 HB2 LYS A 95 -9.073 -12.155 -0.261 1.00 2.43 H new ATOM 0 HB3 LYS A 95 -7.923 -12.696 0.945 1.00 2.43 H new ATOM 0 HG2 LYS A 95 -9.331 -11.117 2.551 1.00 35.22 H new ATOM 0 HG3 LYS A 95 -10.571 -11.324 1.330 1.00 35.22 H new ATOM 0 HD2 LYS A 95 -9.698 -13.921 1.652 1.00 51.04 H new ATOM 0 HD3 LYS A 95 -9.477 -13.285 3.270 1.00 51.04 H new ATOM 0 HE2 LYS A 95 -11.913 -12.314 2.931 1.00 50.40 H new ATOM 0 HE3 LYS A 95 -12.024 -13.515 1.660 1.00 50.40 H new ATOM 0 HZ1 LYS A 95 -12.841 -14.378 3.754 1.00 73.00 H new ATOM 0 HZ2 LYS A 95 -11.457 -15.236 3.274 1.00 73.00 H new ATOM 0 HZ3 LYS A 95 -11.349 -14.072 4.506 1.00 73.00 H new ATOM 1538 N ASP A 96 -5.728 -11.323 -0.544 1.00 43.03 N ATOM 1539 CA ASP A 96 -4.307 -11.646 -0.599 1.00 72.31 C ATOM 1540 C ASP A 96 -3.681 -11.127 -1.890 1.00 31.54 C ATOM 1541 O ASP A 96 -4.354 -10.511 -2.716 1.00 1.31 O ATOM 1542 CB ASP A 96 -4.102 -13.158 -0.488 1.00 62.03 C ATOM 1543 CG ASP A 96 -4.839 -13.923 -1.571 1.00 10.21 C ATOM 1544 OD1 ASP A 96 -4.358 -13.933 -2.723 1.00 41.21 O ATOM 1545 OD2 ASP A 96 -5.896 -14.511 -1.264 1.00 63.21 O ATOM 0 H ASP A 96 -6.223 -11.446 -1.427 1.00 43.03 H new ATOM 0 HA ASP A 96 -3.815 -11.158 0.242 1.00 72.31 H new ATOM 0 HB2 ASP A 96 -3.037 -13.383 -0.549 1.00 62.03 H new ATOM 0 HB3 ASP A 96 -4.444 -13.497 0.490 1.00 62.03 H new ATOM 1550 N THR A 97 -2.387 -11.382 -2.057 1.00 62.22 N ATOM 1551 CA THR A 97 -1.669 -10.939 -3.246 1.00 1.02 C ATOM 1552 C THR A 97 -2.172 -11.659 -4.491 1.00 40.45 C ATOM 1553 O THR A 97 -2.411 -11.034 -5.525 1.00 30.20 O ATOM 1554 CB THR A 97 -0.153 -11.177 -3.108 1.00 50.00 C ATOM 1555 OG1 THR A 97 0.359 -10.439 -1.993 1.00 3.14 O ATOM 1556 CG2 THR A 97 0.578 -10.761 -4.376 1.00 35.22 C ATOM 0 H THR A 97 -1.815 -11.893 -1.384 1.00 62.22 H new ATOM 0 HA THR A 97 -1.854 -9.870 -3.347 1.00 1.02 H new ATOM 0 HB THR A 97 0.012 -12.242 -2.945 1.00 50.00 H new ATOM 0 HG1 THR A 97 0.964 -9.738 -2.315 1.00 3.14 H new ATOM 0 HG21 THR A 97 1.647 -10.938 -4.255 1.00 35.22 H new ATOM 0 HG22 THR A 97 0.207 -11.345 -5.218 1.00 35.22 H new ATOM 0 HG23 THR A 97 0.405 -9.701 -4.565 1.00 35.22 H new ATOM 1564 N GLU A 98 -2.333 -12.974 -4.387 1.00 11.54 N ATOM 1565 CA GLU A 98 -2.809 -13.777 -5.507 1.00 14.11 C ATOM 1566 C GLU A 98 -4.099 -13.199 -6.081 1.00 51.21 C ATOM 1567 O GLU A 98 -4.267 -13.116 -7.297 1.00 52.51 O ATOM 1568 CB GLU A 98 -3.039 -15.224 -5.065 1.00 63.11 C ATOM 1569 CG GLU A 98 -2.026 -16.202 -5.637 1.00 52.13 C ATOM 1570 CD GLU A 98 -2.371 -16.640 -7.048 1.00 1.34 C ATOM 1571 OE1 GLU A 98 -3.182 -15.951 -7.701 1.00 41.12 O ATOM 1572 OE2 GLU A 98 -1.829 -17.672 -7.497 1.00 54.33 O ATOM 0 H GLU A 98 -2.141 -13.506 -3.538 1.00 11.54 H new ATOM 0 HA GLU A 98 -2.045 -13.759 -6.284 1.00 14.11 H new ATOM 0 HB2 GLU A 98 -3.004 -15.273 -3.977 1.00 63.11 H new ATOM 0 HB3 GLU A 98 -4.040 -15.533 -5.366 1.00 63.11 H new ATOM 0 HG2 GLU A 98 -1.039 -15.740 -5.635 1.00 52.13 H new ATOM 0 HG3 GLU A 98 -1.969 -17.079 -4.992 1.00 52.13 H new ATOM 1579 N GLY A 99 -5.008 -12.800 -5.196 1.00 24.00 N ATOM 1580 CA GLY A 99 -6.271 -12.236 -5.634 1.00 12.43 C ATOM 1581 C GLY A 99 -6.087 -11.001 -6.494 1.00 13.12 C ATOM 1582 O GLY A 99 -6.759 -10.840 -7.513 1.00 31.03 O ATOM 0 H GLY A 99 -4.892 -12.857 -4.184 1.00 24.00 H new ATOM 0 HA2 GLY A 99 -6.825 -12.987 -6.196 1.00 12.43 H new ATOM 0 HA3 GLY A 99 -6.874 -11.981 -4.762 1.00 12.43 H new ATOM 1586 N ALA A 100 -5.177 -10.124 -6.081 1.00 63.34 N ATOM 1587 CA ALA A 100 -4.908 -8.898 -6.822 1.00 22.31 C ATOM 1588 C ALA A 100 -4.333 -9.204 -8.201 1.00 5.32 C ATOM 1589 O ALA A 100 -4.639 -8.521 -9.179 1.00 23.44 O ATOM 1590 CB ALA A 100 -3.956 -8.006 -6.037 1.00 73.14 C ATOM 0 H ALA A 100 -4.614 -10.240 -5.238 1.00 63.34 H new ATOM 0 HA ALA A 100 -5.852 -8.372 -6.960 1.00 22.31 H new ATOM 0 HB1 ALA A 100 -3.763 -7.094 -6.602 1.00 73.14 H new ATOM 0 HB2 ALA A 100 -4.405 -7.751 -5.077 1.00 73.14 H new ATOM 0 HB3 ALA A 100 -3.017 -8.534 -5.870 1.00 73.14 H new ATOM 1596 N LYS A 101 -3.497 -10.235 -8.273 1.00 44.21 N ATOM 1597 CA LYS A 101 -2.879 -10.632 -9.532 1.00 75.41 C ATOM 1598 C LYS A 101 -3.938 -11.024 -10.558 1.00 43.12 C ATOM 1599 O LYS A 101 -3.829 -10.681 -11.735 1.00 61.25 O ATOM 1600 CB LYS A 101 -1.917 -11.801 -9.305 1.00 74.40 C ATOM 1601 CG LYS A 101 -0.497 -11.517 -9.758 1.00 65.42 C ATOM 1602 CD LYS A 101 0.340 -12.785 -9.804 1.00 35.24 C ATOM 1603 CE LYS A 101 1.383 -12.727 -10.909 1.00 54.33 C ATOM 1604 NZ LYS A 101 1.306 -13.912 -11.807 1.00 41.01 N ATOM 0 H LYS A 101 -3.232 -10.811 -7.474 1.00 44.21 H new ATOM 0 HA LYS A 101 -2.321 -9.779 -9.919 1.00 75.41 H new ATOM 0 HB2 LYS A 101 -1.908 -12.052 -8.244 1.00 74.40 H new ATOM 0 HB3 LYS A 101 -2.291 -12.676 -9.836 1.00 74.40 H new ATOM 0 HG2 LYS A 101 -0.515 -11.056 -10.746 1.00 65.42 H new ATOM 0 HG3 LYS A 101 -0.035 -10.800 -9.080 1.00 65.42 H new ATOM 0 HD2 LYS A 101 0.834 -12.930 -8.843 1.00 35.24 H new ATOM 0 HD3 LYS A 101 -0.310 -13.645 -9.961 1.00 35.24 H new ATOM 0 HE2 LYS A 101 1.242 -11.818 -11.494 1.00 54.33 H new ATOM 0 HE3 LYS A 101 2.378 -12.670 -10.467 1.00 54.33 H new ATOM 0 HZ1 LYS A 101 2.033 -13.835 -12.547 1.00 41.01 H new ATOM 0 HZ2 LYS A 101 1.466 -14.778 -11.254 1.00 41.01 H new ATOM 0 HZ3 LYS A 101 0.365 -13.952 -12.249 1.00 41.01 H new ATOM 1618 N GLN A 102 -4.960 -11.740 -10.103 1.00 72.54 N ATOM 1619 CA GLN A 102 -6.038 -12.176 -10.983 1.00 11.22 C ATOM 1620 C GLN A 102 -6.820 -10.981 -11.519 1.00 33.21 C ATOM 1621 O GLN A 102 -7.150 -10.923 -12.704 1.00 64.44 O ATOM 1622 CB GLN A 102 -6.980 -13.124 -10.239 1.00 62.41 C ATOM 1623 CG GLN A 102 -6.805 -14.583 -10.628 1.00 71.33 C ATOM 1624 CD GLN A 102 -7.353 -15.536 -9.583 1.00 15.31 C ATOM 1625 OE1 GLN A 102 -6.844 -15.608 -8.464 1.00 74.13 O ATOM 1626 NE2 GLN A 102 -8.398 -16.272 -9.944 1.00 11.04 N ATOM 0 H GLN A 102 -5.065 -12.031 -9.131 1.00 72.54 H new ATOM 0 HA GLN A 102 -5.593 -12.704 -11.826 1.00 11.22 H new ATOM 0 HB2 GLN A 102 -6.815 -13.020 -9.167 1.00 62.41 H new ATOM 0 HB3 GLN A 102 -8.010 -12.826 -10.433 1.00 62.41 H new ATOM 0 HG2 GLN A 102 -7.307 -14.764 -11.578 1.00 71.33 H new ATOM 0 HG3 GLN A 102 -5.746 -14.789 -10.783 1.00 71.33 H new ATOM 0 HE21 GLN A 102 -8.787 -16.179 -10.882 1.00 11.04 H new ATOM 0 HE22 GLN A 102 -8.811 -16.930 -9.283 1.00 11.04 H new ATOM 1635 N ILE A 103 -7.114 -10.029 -10.639 1.00 20.43 N ATOM 1636 CA ILE A 103 -7.856 -8.836 -11.025 1.00 72.21 C ATOM 1637 C ILE A 103 -7.111 -8.048 -12.098 1.00 34.23 C ATOM 1638 O ILE A 103 -7.677 -7.703 -13.135 1.00 71.14 O ATOM 1639 CB ILE A 103 -8.113 -7.918 -9.815 1.00 52.10 C ATOM 1640 CG1 ILE A 103 -8.925 -8.657 -8.750 1.00 21.34 C ATOM 1641 CG2 ILE A 103 -8.834 -6.652 -10.255 1.00 35.22 C ATOM 1642 CD1 ILE A 103 -9.130 -7.857 -7.483 1.00 2.03 C ATOM 0 H ILE A 103 -6.849 -10.061 -9.654 1.00 20.43 H new ATOM 0 HA ILE A 103 -8.812 -9.174 -11.424 1.00 72.21 H new ATOM 0 HB ILE A 103 -7.154 -7.635 -9.382 1.00 52.10 H new ATOM 0 HG12 ILE A 103 -9.898 -8.921 -9.165 1.00 21.34 H new ATOM 0 HG13 ILE A 103 -8.420 -9.591 -8.503 1.00 21.34 H new ATOM 0 HG21 ILE A 103 -9.009 -6.013 -9.389 1.00 35.22 H new ATOM 0 HG22 ILE A 103 -8.222 -6.118 -10.982 1.00 35.22 H new ATOM 0 HG23 ILE A 103 -9.789 -6.916 -10.709 1.00 35.22 H new ATOM 0 HD11 ILE A 103 -9.714 -8.443 -6.773 1.00 2.03 H new ATOM 0 HD12 ILE A 103 -8.162 -7.615 -7.045 1.00 2.03 H new ATOM 0 HD13 ILE A 103 -9.663 -6.935 -7.717 1.00 2.03 H new ATOM 1654 N VAL A 104 -5.838 -7.767 -11.840 1.00 60.02 N ATOM 1655 CA VAL A 104 -5.014 -7.022 -12.785 1.00 12.31 C ATOM 1656 C VAL A 104 -4.985 -7.705 -14.148 1.00 15.23 C ATOM 1657 O VAL A 104 -5.169 -7.061 -15.181 1.00 30.42 O ATOM 1658 CB VAL A 104 -3.570 -6.867 -12.270 1.00 53.14 C ATOM 1659 CG1 VAL A 104 -2.712 -6.143 -13.296 1.00 53.44 C ATOM 1660 CG2 VAL A 104 -3.556 -6.133 -10.938 1.00 72.13 C ATOM 0 H VAL A 104 -5.355 -8.044 -10.985 1.00 60.02 H new ATOM 0 HA VAL A 104 -5.464 -6.034 -12.887 1.00 12.31 H new ATOM 0 HB VAL A 104 -3.149 -7.860 -12.116 1.00 53.14 H new ATOM 0 HG11 VAL A 104 -1.696 -6.043 -12.915 1.00 53.44 H new ATOM 0 HG12 VAL A 104 -2.697 -6.713 -14.225 1.00 53.44 H new ATOM 0 HG13 VAL A 104 -3.128 -5.153 -13.485 1.00 53.44 H new ATOM 0 HG21 VAL A 104 -2.528 -6.032 -10.589 1.00 72.13 H new ATOM 0 HG22 VAL A 104 -3.995 -5.143 -11.063 1.00 72.13 H new ATOM 0 HG23 VAL A 104 -4.134 -6.697 -10.206 1.00 72.13 H new ATOM 1670 N ARG A 105 -4.754 -9.014 -14.142 1.00 75.34 N ATOM 1671 CA ARG A 105 -4.702 -9.785 -15.378 1.00 21.44 C ATOM 1672 C ARG A 105 -5.995 -9.629 -16.173 1.00 30.15 C ATOM 1673 O ARG A 105 -5.974 -9.249 -17.343 1.00 43.15 O ATOM 1674 CB ARG A 105 -4.455 -11.264 -15.071 1.00 64.13 C ATOM 1675 CG ARG A 105 -4.082 -12.085 -16.294 1.00 70.44 C ATOM 1676 CD ARG A 105 -5.283 -12.832 -16.852 1.00 15.14 C ATOM 1677 NE ARG A 105 -4.922 -14.155 -17.354 1.00 13.23 N ATOM 1678 CZ ARG A 105 -4.278 -14.356 -18.498 1.00 54.44 C ATOM 1679 NH1 ARG A 105 -3.929 -13.325 -19.255 1.00 51.11 N ATOM 1680 NH2 ARG A 105 -3.984 -15.590 -18.888 1.00 14.21 N ATOM 0 H ARG A 105 -4.600 -9.562 -13.296 1.00 75.34 H new ATOM 0 HA ARG A 105 -3.878 -9.402 -15.980 1.00 21.44 H new ATOM 0 HB2 ARG A 105 -3.657 -11.345 -14.332 1.00 64.13 H new ATOM 0 HB3 ARG A 105 -5.352 -11.687 -14.619 1.00 64.13 H new ATOM 0 HG2 ARG A 105 -3.671 -11.430 -17.062 1.00 70.44 H new ATOM 0 HG3 ARG A 105 -3.300 -12.797 -16.031 1.00 70.44 H new ATOM 0 HD2 ARG A 105 -6.040 -12.934 -16.074 1.00 15.14 H new ATOM 0 HD3 ARG A 105 -5.730 -12.249 -17.657 1.00 15.14 H new ATOM 0 HE ARG A 105 -5.178 -14.969 -16.796 1.00 13.23 H new ATOM 0 HH11 ARG A 105 -4.155 -12.375 -18.959 1.00 51.11 H new ATOM 0 HH12 ARG A 105 -3.434 -13.481 -20.133 1.00 51.11 H new ATOM 0 HH21 ARG A 105 -4.253 -16.386 -18.309 1.00 14.21 H new ATOM 0 HH22 ARG A 105 -3.489 -15.743 -19.767 1.00 14.21 H new ATOM 1694 N ARG A 106 -7.119 -9.926 -15.528 1.00 50.55 N ATOM 1695 CA ARG A 106 -8.421 -9.820 -16.175 1.00 21.41 C ATOM 1696 C ARG A 106 -8.615 -8.433 -16.781 1.00 13.53 C ATOM 1697 O ARG A 106 -9.163 -8.293 -17.875 1.00 72.20 O ATOM 1698 CB ARG A 106 -9.538 -10.111 -15.172 1.00 24.02 C ATOM 1699 CG ARG A 106 -10.897 -10.328 -15.818 1.00 23.34 C ATOM 1700 CD ARG A 106 -12.000 -9.622 -15.046 1.00 71.24 C ATOM 1701 NE ARG A 106 -12.129 -10.133 -13.684 1.00 43.14 N ATOM 1702 CZ ARG A 106 -13.073 -9.739 -12.838 1.00 11.33 C ATOM 1703 NH1 ARG A 106 -13.968 -8.835 -13.212 1.00 31.04 N ATOM 1704 NH2 ARG A 106 -13.124 -10.249 -11.614 1.00 52.22 N ATOM 0 H ARG A 106 -7.154 -10.242 -14.559 1.00 50.55 H new ATOM 0 HA ARG A 106 -8.462 -10.557 -16.977 1.00 21.41 H new ATOM 0 HB2 ARG A 106 -9.274 -10.997 -14.595 1.00 24.02 H new ATOM 0 HB3 ARG A 106 -9.608 -9.281 -14.469 1.00 24.02 H new ATOM 0 HG2 ARG A 106 -10.876 -9.960 -16.844 1.00 23.34 H new ATOM 0 HG3 ARG A 106 -11.112 -11.396 -15.867 1.00 23.34 H new ATOM 0 HD2 ARG A 106 -11.792 -8.552 -15.014 1.00 71.24 H new ATOM 0 HD3 ARG A 106 -12.947 -9.747 -15.571 1.00 71.24 H new ATOM 0 HE ARG A 106 -11.457 -10.831 -13.365 1.00 43.14 H new ATOM 0 HH11 ARG A 106 -13.932 -8.440 -14.152 1.00 31.04 H new ATOM 0 HH12 ARG A 106 -14.692 -8.534 -12.560 1.00 31.04 H new ATOM 0 HH21 ARG A 106 -12.437 -10.945 -11.322 1.00 52.22 H new ATOM 0 HH22 ARG A 106 -13.850 -9.945 -10.965 1.00 52.22 H new ATOM 1718 N HIS A 107 -8.164 -7.410 -16.063 1.00 34.42 N ATOM 1719 CA HIS A 107 -8.288 -6.033 -16.528 1.00 71.25 C ATOM 1720 C HIS A 107 -7.435 -5.803 -17.773 1.00 22.22 C ATOM 1721 O HIS A 107 -7.776 -4.897 -18.534 1.00 3.11 O ATOM 1722 CB HIS A 107 -7.875 -5.059 -15.425 1.00 24.32 C ATOM 1723 CG HIS A 107 -8.925 -4.863 -14.375 1.00 11.32 C ATOM 1724 ND1 HIS A 107 -10.264 -4.716 -14.668 1.00 10.21 N ATOM 1725 CD2 HIS A 107 -8.827 -4.792 -13.027 1.00 71.54 C ATOM 1726 CE1 HIS A 107 -10.944 -4.561 -13.546 1.00 41.03 C ATOM 1727 NE2 HIS A 107 -10.095 -4.605 -12.535 1.00 42.23 N ATOM 0 H HIS A 107 -7.709 -7.509 -15.156 1.00 34.42 H new ATOM 0 HA HIS A 107 -9.332 -5.855 -16.785 1.00 71.25 H new ATOM 0 HB2 HIS A 107 -6.963 -5.424 -14.952 1.00 24.32 H new ATOM 0 HB3 HIS A 107 -7.637 -4.095 -15.874 1.00 24.32 H new ATOM 0 HD2 HIS A 107 -7.920 -4.868 -12.446 1.00 71.54 H new ATOM 0 HE1 HIS A 107 -12.012 -4.422 -13.469 1.00 41.03 H new ATOM 0 HE2 HIS A 107 -10.341 -4.515 -11.549 1.00 42.23 H new ATOM 1735 N LEU A 108 -6.371 -6.569 -17.992 1.00 12.13 N ATOM 1736 CA LEU A 108 -5.525 -6.386 -19.165 1.00 54.14 C ATOM 1737 C LEU A 108 -6.149 -7.042 -20.394 1.00 32.24 C ATOM 1738 O LEU A 108 -6.036 -6.531 -21.508 1.00 23.53 O ATOM 1739 CB LEU A 108 -4.135 -6.972 -18.912 1.00 51.23 C ATOM 1740 CG LEU A 108 -3.305 -6.285 -17.826 1.00 72.34 C ATOM 1741 CD1 LEU A 108 -2.021 -7.057 -17.568 1.00 51.14 C ATOM 1742 CD2 LEU A 108 -2.997 -4.848 -18.219 1.00 22.22 C ATOM 0 H LEU A 108 -6.074 -7.323 -17.372 1.00 12.13 H new ATOM 0 HA LEU A 108 -5.433 -5.316 -19.353 1.00 54.14 H new ATOM 0 HB2 LEU A 108 -4.249 -8.023 -18.645 1.00 51.23 H new ATOM 0 HB3 LEU A 108 -3.573 -6.940 -19.846 1.00 51.23 H new ATOM 0 HG LEU A 108 -3.887 -6.271 -16.905 1.00 72.34 H new ATOM 0 HD11 LEU A 108 -1.443 -6.554 -16.793 1.00 51.14 H new ATOM 0 HD12 LEU A 108 -2.264 -8.068 -17.241 1.00 51.14 H new ATOM 0 HD13 LEU A 108 -1.434 -7.104 -18.485 1.00 51.14 H new ATOM 0 HD21 LEU A 108 -2.406 -4.375 -17.435 1.00 22.22 H new ATOM 0 HD22 LEU A 108 -2.435 -4.839 -19.153 1.00 22.22 H new ATOM 0 HD23 LEU A 108 -3.929 -4.299 -18.352 1.00 22.22 H new ATOM 1754 N VAL A 109 -6.812 -8.175 -20.181 1.00 44.51 N ATOM 1755 CA VAL A 109 -7.457 -8.899 -21.270 1.00 10.11 C ATOM 1756 C VAL A 109 -8.669 -8.136 -21.794 1.00 2.32 C ATOM 1757 O VAL A 109 -9.031 -8.253 -22.964 1.00 21.50 O ATOM 1758 CB VAL A 109 -7.903 -10.304 -20.823 1.00 62.11 C ATOM 1759 CG1 VAL A 109 -8.574 -11.042 -21.972 1.00 14.42 C ATOM 1760 CG2 VAL A 109 -6.717 -11.094 -20.292 1.00 61.13 C ATOM 0 H VAL A 109 -6.916 -8.611 -19.265 1.00 44.51 H new ATOM 0 HA VAL A 109 -6.719 -8.996 -22.067 1.00 10.11 H new ATOM 0 HB VAL A 109 -8.630 -10.197 -20.018 1.00 62.11 H new ATOM 0 HG11 VAL A 109 -8.882 -12.033 -21.638 1.00 14.42 H new ATOM 0 HG12 VAL A 109 -9.449 -10.482 -22.303 1.00 14.42 H new ATOM 0 HG13 VAL A 109 -7.872 -11.141 -22.800 1.00 14.42 H new ATOM 0 HG21 VAL A 109 -7.050 -12.084 -19.980 1.00 61.13 H new ATOM 0 HG22 VAL A 109 -5.966 -11.193 -21.076 1.00 61.13 H new ATOM 0 HG23 VAL A 109 -6.284 -10.571 -19.439 1.00 61.13 H new ATOM 1770 N ALA A 110 -9.293 -7.354 -20.919 1.00 44.15 N ATOM 1771 CA ALA A 110 -10.463 -6.569 -21.295 1.00 3.12 C ATOM 1772 C ALA A 110 -10.081 -5.426 -22.228 1.00 52.13 C ATOM 1773 O ALA A 110 -10.804 -5.119 -23.176 1.00 71.34 O ATOM 1774 CB ALA A 110 -11.157 -6.029 -20.052 1.00 40.14 C ATOM 0 H ALA A 110 -9.008 -7.247 -19.945 1.00 44.15 H new ATOM 0 HA ALA A 110 -11.153 -7.223 -21.829 1.00 3.12 H new ATOM 0 HB1 ALA A 110 -12.029 -5.445 -20.347 1.00 40.14 H new ATOM 0 HB2 ALA A 110 -11.473 -6.860 -19.422 1.00 40.14 H new ATOM 0 HB3 ALA A 110 -10.466 -5.395 -19.496 1.00 40.14 H new ATOM 1780 N GLU A 111 -8.942 -4.799 -21.954 1.00 4.13 N ATOM 1781 CA GLU A 111 -8.465 -3.688 -22.770 1.00 13.32 C ATOM 1782 C GLU A 111 -8.058 -4.170 -24.160 1.00 4.00 C ATOM 1783 O GLU A 111 -8.268 -3.477 -25.156 1.00 75.02 O ATOM 1784 CB GLU A 111 -7.281 -2.997 -22.090 1.00 33.13 C ATOM 1785 CG GLU A 111 -7.604 -1.605 -21.575 1.00 42.43 C ATOM 1786 CD GLU A 111 -7.134 -1.386 -20.150 1.00 64.41 C ATOM 1787 OE1 GLU A 111 -7.453 -2.227 -19.284 1.00 51.23 O ATOM 1788 OE2 GLU A 111 -6.447 -0.374 -19.901 1.00 4.34 O ATOM 0 H GLU A 111 -8.332 -5.041 -21.173 1.00 4.13 H new ATOM 0 HA GLU A 111 -9.280 -2.973 -22.877 1.00 13.32 H new ATOM 0 HB2 GLU A 111 -6.940 -3.613 -21.258 1.00 33.13 H new ATOM 0 HB3 GLU A 111 -6.454 -2.931 -22.797 1.00 33.13 H new ATOM 0 HG2 GLU A 111 -7.138 -0.864 -22.225 1.00 42.43 H new ATOM 0 HG3 GLU A 111 -8.681 -1.443 -21.627 1.00 42.43 H new ATOM 1795 N THR A 112 -7.472 -5.362 -24.218 1.00 44.33 N ATOM 1796 CA THR A 112 -7.033 -5.936 -25.484 1.00 72.01 C ATOM 1797 C THR A 112 -8.221 -6.245 -26.388 1.00 64.14 C ATOM 1798 O THR A 112 -8.099 -6.236 -27.613 1.00 14.33 O ATOM 1799 CB THR A 112 -6.219 -7.225 -25.264 1.00 35.23 C ATOM 1800 OG1 THR A 112 -5.075 -6.949 -24.449 1.00 33.03 O ATOM 1801 CG2 THR A 112 -5.771 -7.816 -26.592 1.00 52.01 C ATOM 0 H THR A 112 -7.291 -5.948 -23.403 1.00 44.33 H new ATOM 0 HA THR A 112 -6.398 -5.193 -25.966 1.00 72.01 H new ATOM 0 HB THR A 112 -6.858 -7.950 -24.759 1.00 35.23 H new ATOM 0 HG1 THR A 112 -5.359 -6.813 -23.521 1.00 33.03 H new ATOM 0 HG21 THR A 112 -5.198 -8.725 -26.411 1.00 52.01 H new ATOM 0 HG22 THR A 112 -6.645 -8.053 -27.198 1.00 52.01 H new ATOM 0 HG23 THR A 112 -5.148 -7.094 -27.120 1.00 52.01 H new ATOM 1809 N GLY A 113 -9.369 -6.520 -25.777 1.00 64.10 N ATOM 1810 CA GLY A 113 -10.562 -6.828 -26.543 1.00 41.21 C ATOM 1811 C GLY A 113 -11.423 -5.606 -26.792 1.00 34.53 C ATOM 1812 O GLY A 113 -12.643 -5.713 -26.928 1.00 32.13 O ATOM 0 H GLY A 113 -9.494 -6.535 -24.765 1.00 64.10 H new ATOM 0 HA2 GLY A 113 -10.273 -7.266 -27.498 1.00 41.21 H new ATOM 0 HA3 GLY A 113 -11.147 -7.579 -26.012 1.00 41.21 H new ATOM 1816 N THR A 114 -10.790 -4.438 -26.849 1.00 62.54 N ATOM 1817 CA THR A 114 -11.506 -3.191 -27.080 1.00 43.53 C ATOM 1818 C THR A 114 -10.538 -2.038 -27.324 1.00 54.02 C ATOM 1819 O THR A 114 -10.809 -0.898 -26.948 1.00 50.14 O ATOM 1820 CB THR A 114 -12.417 -2.838 -25.889 1.00 73.14 C ATOM 1821 OG1 THR A 114 -13.187 -1.668 -26.191 1.00 64.42 O ATOM 1822 CG2 THR A 114 -11.595 -2.599 -24.631 1.00 73.23 C ATOM 0 H THR A 114 -9.782 -4.331 -26.738 1.00 62.54 H new ATOM 0 HA THR A 114 -12.121 -3.339 -27.968 1.00 43.53 H new ATOM 0 HB THR A 114 -13.088 -3.679 -25.712 1.00 73.14 H new ATOM 0 HG1 THR A 114 -12.594 -0.963 -26.524 1.00 64.42 H new ATOM 0 HG21 THR A 114 -12.260 -2.351 -23.804 1.00 73.23 H new ATOM 0 HG22 THR A 114 -11.032 -3.500 -24.387 1.00 73.23 H new ATOM 0 HG23 THR A 114 -10.903 -1.774 -24.800 1.00 73.23 H new ATOM 1830 N ALA A 115 -9.410 -2.344 -27.956 1.00 3.40 N ATOM 1831 CA ALA A 115 -8.403 -1.332 -28.253 1.00 10.52 C ATOM 1832 C ALA A 115 -7.287 -1.906 -29.119 1.00 51.12 C ATOM 1833 O ALA A 115 -6.114 -1.848 -28.753 1.00 43.22 O ATOM 1834 CB ALA A 115 -7.832 -0.761 -26.963 1.00 61.32 C ATOM 0 H ALA A 115 -9.170 -3.284 -28.272 1.00 3.40 H new ATOM 0 HA ALA A 115 -8.884 -0.529 -28.811 1.00 10.52 H new ATOM 0 HB1 ALA A 115 -7.082 -0.007 -27.200 1.00 61.32 H new ATOM 0 HB2 ALA A 115 -8.633 -0.306 -26.381 1.00 61.32 H new ATOM 0 HB3 ALA A 115 -7.372 -1.561 -26.383 1.00 61.32 H new ATOM 1840 N GLU A 116 -7.660 -2.459 -30.268 1.00 74.11 N ATOM 1841 CA GLU A 116 -6.690 -3.045 -31.185 1.00 43.45 C ATOM 1842 C GLU A 116 -5.902 -1.958 -31.910 1.00 51.31 C ATOM 1843 O GLU A 116 -4.685 -2.058 -32.069 1.00 43.23 O ATOM 1844 CB GLU A 116 -7.394 -3.944 -32.203 1.00 33.51 C ATOM 1845 CG GLU A 116 -6.610 -5.197 -32.553 1.00 30.21 C ATOM 1846 CD GLU A 116 -7.298 -6.041 -33.608 1.00 74.23 C ATOM 1847 OE1 GLU A 116 -7.373 -5.590 -34.771 1.00 32.21 O ATOM 1848 OE2 GLU A 116 -7.763 -7.150 -33.273 1.00 22.04 O ATOM 0 H GLU A 116 -8.628 -2.514 -30.586 1.00 74.11 H new ATOM 0 HA GLU A 116 -5.994 -3.647 -30.601 1.00 43.45 H new ATOM 0 HB2 GLU A 116 -8.368 -4.233 -31.807 1.00 33.51 H new ATOM 0 HB3 GLU A 116 -7.577 -3.374 -33.114 1.00 33.51 H new ATOM 0 HG2 GLU A 116 -5.620 -4.914 -32.909 1.00 30.21 H new ATOM 0 HG3 GLU A 116 -6.466 -5.794 -31.653 1.00 30.21 H new ATOM 1855 N LYS A 117 -6.605 -0.919 -32.349 1.00 0.40 N ATOM 1856 CA LYS A 117 -5.973 0.188 -33.056 1.00 51.45 C ATOM 1857 C LYS A 117 -6.804 1.461 -32.928 1.00 51.31 C ATOM 1858 O LYS A 117 -7.271 2.011 -33.924 1.00 40.42 O ATOM 1859 CB LYS A 117 -5.786 -0.163 -34.534 1.00 31.50 C ATOM 1860 CG LYS A 117 -4.759 0.703 -35.241 1.00 12.24 C ATOM 1861 CD LYS A 117 -4.940 0.666 -36.748 1.00 72.15 C ATOM 1862 CE LYS A 117 -4.483 -0.662 -37.333 1.00 12.04 C ATOM 1863 NZ LYS A 117 -2.998 -0.759 -37.394 1.00 60.42 N ATOM 0 H LYS A 117 -7.613 -0.821 -32.227 1.00 0.40 H new ATOM 0 HA LYS A 117 -4.997 0.364 -32.604 1.00 51.45 H new ATOM 0 HB2 LYS A 117 -5.485 -1.208 -34.615 1.00 31.50 H new ATOM 0 HB3 LYS A 117 -6.744 -0.066 -35.045 1.00 31.50 H new ATOM 0 HG2 LYS A 117 -4.844 1.731 -34.889 1.00 12.24 H new ATOM 0 HG3 LYS A 117 -3.756 0.361 -34.986 1.00 12.24 H new ATOM 0 HD2 LYS A 117 -5.989 0.831 -36.993 1.00 72.15 H new ATOM 0 HD3 LYS A 117 -4.374 1.479 -37.203 1.00 72.15 H new ATOM 0 HE2 LYS A 117 -4.876 -1.480 -36.729 1.00 12.04 H new ATOM 0 HE3 LYS A 117 -4.896 -0.779 -38.335 1.00 12.04 H new ATOM 0 HZ1 LYS A 117 -2.727 -1.640 -37.875 1.00 60.42 H new ATOM 0 HZ2 LYS A 117 -2.618 0.054 -37.920 1.00 60.42 H new ATOM 0 HZ3 LYS A 117 -2.610 -0.758 -36.429 1.00 60.42 H new ATOM 1877 N MET A 118 -6.983 1.924 -31.694 1.00 73.13 N ATOM 1878 CA MET A 118 -7.756 3.133 -31.438 1.00 22.25 C ATOM 1879 C MET A 118 -7.243 4.295 -32.282 1.00 12.25 C ATOM 1880 O MET A 118 -6.063 4.374 -32.623 1.00 30.31 O ATOM 1881 CB MET A 118 -7.693 3.498 -29.953 1.00 30.03 C ATOM 1882 CG MET A 118 -6.281 3.504 -29.389 1.00 10.41 C ATOM 1883 SD MET A 118 -6.034 4.789 -28.148 1.00 54.42 S ATOM 1884 CE MET A 118 -7.244 4.308 -26.918 1.00 33.35 C ATOM 0 H MET A 118 -6.603 1.480 -30.858 1.00 73.13 H new ATOM 0 HA MET A 118 -8.792 2.938 -31.713 1.00 22.25 H new ATOM 0 HB2 MET A 118 -8.137 4.483 -29.810 1.00 30.03 H new ATOM 0 HB3 MET A 118 -8.299 2.790 -29.387 1.00 30.03 H new ATOM 0 HG2 MET A 118 -6.067 2.531 -28.947 1.00 10.41 H new ATOM 0 HG3 MET A 118 -5.570 3.648 -30.202 1.00 10.41 H new ATOM 0 HE1 MET A 118 -7.141 4.943 -26.038 1.00 33.35 H new ATOM 0 HE2 MET A 118 -8.247 4.420 -27.331 1.00 33.35 H new ATOM 0 HE3 MET A 118 -7.082 3.268 -26.635 1.00 33.35 H new ATOM 1894 N PRO A 119 -8.150 5.221 -32.627 1.00 45.43 N ATOM 1895 CA PRO A 119 -7.812 6.397 -33.435 1.00 51.54 C ATOM 1896 C PRO A 119 -6.941 7.392 -32.676 1.00 1.10 C ATOM 1897 O PRO A 119 -6.770 7.282 -31.462 1.00 34.05 O ATOM 1898 CB PRO A 119 -9.176 7.014 -33.752 1.00 14.22 C ATOM 1899 CG PRO A 119 -10.063 6.561 -32.644 1.00 0.50 C ATOM 1900 CD PRO A 119 -9.574 5.194 -32.255 1.00 75.12 C ATOM 0 HA PRO A 119 -7.233 6.130 -34.319 1.00 51.54 H new ATOM 0 HB2 PRO A 119 -9.119 8.102 -33.794 1.00 14.22 H new ATOM 0 HB3 PRO A 119 -9.548 6.677 -34.720 1.00 14.22 H new ATOM 0 HG2 PRO A 119 -10.014 7.248 -31.799 1.00 0.50 H new ATOM 0 HG3 PRO A 119 -11.104 6.526 -32.967 1.00 0.50 H new ATOM 0 HD2 PRO A 119 -9.707 5.008 -31.189 1.00 75.12 H new ATOM 0 HD3 PRO A 119 -10.113 4.409 -32.785 1.00 75.12 H new ATOM 1908 N SER A 120 -6.391 8.363 -33.399 1.00 33.43 N ATOM 1909 CA SER A 120 -5.535 9.375 -32.793 1.00 12.31 C ATOM 1910 C SER A 120 -6.365 10.534 -32.248 1.00 13.30 C ATOM 1911 O SER A 120 -6.950 11.307 -33.008 1.00 34.52 O ATOM 1912 CB SER A 120 -4.522 9.895 -33.816 1.00 12.24 C ATOM 1913 OG SER A 120 -3.609 10.797 -33.215 1.00 53.23 O ATOM 0 H SER A 120 -6.523 8.470 -34.405 1.00 33.43 H new ATOM 0 HA SER A 120 -4.999 8.913 -31.964 1.00 12.31 H new ATOM 0 HB2 SER A 120 -3.977 9.057 -34.252 1.00 12.24 H new ATOM 0 HB3 SER A 120 -5.047 10.393 -34.632 1.00 12.24 H new ATOM 0 HG SER A 120 -2.971 11.114 -33.888 1.00 53.23 H new ATOM 1919 N THR A 121 -6.411 10.648 -30.924 1.00 53.52 N ATOM 1920 CA THR A 121 -7.170 11.711 -30.275 1.00 75.24 C ATOM 1921 C THR A 121 -6.431 12.247 -29.054 1.00 42.33 C ATOM 1922 O THR A 121 -5.779 11.494 -28.331 1.00 13.02 O ATOM 1923 CB THR A 121 -8.565 11.221 -29.842 1.00 53.14 C ATOM 1924 OG1 THR A 121 -9.234 12.245 -29.096 1.00 72.44 O ATOM 1925 CG2 THR A 121 -8.458 9.960 -29.000 1.00 75.42 C ATOM 0 H THR A 121 -5.932 10.018 -30.281 1.00 53.52 H new ATOM 0 HA THR A 121 -7.285 12.510 -31.007 1.00 75.24 H new ATOM 0 HB THR A 121 -9.140 10.991 -30.739 1.00 53.14 H new ATOM 0 HG1 THR A 121 -10.121 11.927 -28.826 1.00 72.44 H new ATOM 0 HG21 THR A 121 -9.455 9.633 -28.706 1.00 75.42 H new ATOM 0 HG22 THR A 121 -7.975 9.174 -29.581 1.00 75.42 H new ATOM 0 HG23 THR A 121 -7.867 10.167 -28.108 1.00 75.42 H new ATOM 1933 N SER A 122 -6.537 13.553 -28.831 1.00 53.31 N ATOM 1934 CA SER A 122 -5.876 14.191 -27.699 1.00 2.51 C ATOM 1935 C SER A 122 -6.628 13.910 -26.401 1.00 63.24 C ATOM 1936 O SER A 122 -7.858 13.948 -26.363 1.00 71.31 O ATOM 1937 CB SER A 122 -5.775 15.701 -27.925 1.00 4.00 C ATOM 1938 OG SER A 122 -7.056 16.277 -28.110 1.00 23.23 O ATOM 0 H SER A 122 -7.074 14.190 -29.419 1.00 53.31 H new ATOM 0 HA SER A 122 -4.872 13.775 -27.615 1.00 2.51 H new ATOM 0 HB2 SER A 122 -5.283 16.167 -27.071 1.00 4.00 H new ATOM 0 HB3 SER A 122 -5.154 15.900 -28.798 1.00 4.00 H new ATOM 0 HG SER A 122 -6.963 17.242 -28.251 1.00 23.23 H new ATOM 1944 N ARG A 123 -5.879 13.626 -25.340 1.00 52.25 N ATOM 1945 CA ARG A 123 -6.474 13.336 -24.041 1.00 61.03 C ATOM 1946 C ARG A 123 -6.623 14.610 -23.215 1.00 51.44 C ATOM 1947 O ARG A 123 -5.727 15.454 -23.161 1.00 70.41 O ATOM 1948 CB ARG A 123 -5.620 12.320 -23.281 1.00 42.32 C ATOM 1949 CG ARG A 123 -6.106 12.052 -21.866 1.00 14.22 C ATOM 1950 CD ARG A 123 -5.117 11.199 -21.088 1.00 65.53 C ATOM 1951 NE ARG A 123 -5.511 9.792 -21.061 1.00 15.51 N ATOM 1952 CZ ARG A 123 -5.037 8.913 -20.186 1.00 4.42 C ATOM 1953 NH1 ARG A 123 -4.156 9.293 -19.271 1.00 25.42 N ATOM 1954 NH2 ARG A 123 -5.444 7.651 -20.224 1.00 12.23 N ATOM 0 H ARG A 123 -4.860 13.591 -25.355 1.00 52.25 H new ATOM 0 HA ARG A 123 -7.465 12.914 -24.209 1.00 61.03 H new ATOM 0 HB2 ARG A 123 -5.608 11.382 -23.835 1.00 42.32 H new ATOM 0 HB3 ARG A 123 -4.592 12.680 -23.241 1.00 42.32 H new ATOM 0 HG2 ARG A 123 -6.258 12.999 -21.347 1.00 14.22 H new ATOM 0 HG3 ARG A 123 -7.072 11.549 -21.901 1.00 14.22 H new ATOM 0 HD2 ARG A 123 -4.128 11.290 -21.537 1.00 65.53 H new ATOM 0 HD3 ARG A 123 -5.039 11.574 -20.067 1.00 65.53 H new ATOM 0 HE ARG A 123 -6.187 9.467 -21.752 1.00 15.51 H new ATOM 0 HH11 ARG A 123 -3.841 10.263 -19.238 1.00 25.42 H new ATOM 0 HH12 ARG A 123 -3.793 8.616 -18.600 1.00 25.42 H new ATOM 0 HH21 ARG A 123 -6.122 7.355 -20.926 1.00 12.23 H new ATOM 0 HH22 ARG A 123 -5.079 6.977 -19.551 1.00 12.23 H new ATOM 1968 N PRO A 124 -7.782 14.756 -22.556 1.00 54.51 N ATOM 1969 CA PRO A 124 -8.076 15.925 -21.721 1.00 54.13 C ATOM 1970 C PRO A 124 -7.237 15.955 -20.449 1.00 25.43 C ATOM 1971 O PRO A 124 -7.090 14.941 -19.765 1.00 33.31 O ATOM 1972 CB PRO A 124 -9.559 15.752 -21.379 1.00 42.40 C ATOM 1973 CG PRO A 124 -9.803 14.286 -21.483 1.00 51.54 C ATOM 1974 CD PRO A 124 -8.894 13.792 -22.575 1.00 15.14 C ATOM 0 HA PRO A 124 -7.848 16.860 -22.234 1.00 54.13 H new ATOM 0 HB2 PRO A 124 -9.780 16.120 -20.377 1.00 42.40 H new ATOM 0 HB3 PRO A 124 -10.192 16.309 -22.070 1.00 42.40 H new ATOM 0 HG2 PRO A 124 -9.586 13.786 -20.539 1.00 51.54 H new ATOM 0 HG3 PRO A 124 -10.847 14.080 -21.721 1.00 51.54 H new ATOM 0 HD2 PRO A 124 -8.549 12.776 -22.381 1.00 15.14 H new ATOM 0 HD3 PRO A 124 -9.398 13.779 -23.542 1.00 15.14 H new ATOM 1982 N THR A 125 -6.685 17.123 -20.136 1.00 61.30 N ATOM 1983 CA THR A 125 -5.859 17.284 -18.947 1.00 5.03 C ATOM 1984 C THR A 125 -6.534 18.196 -17.928 1.00 24.43 C ATOM 1985 O THR A 125 -6.817 19.359 -18.213 1.00 61.13 O ATOM 1986 CB THR A 125 -4.475 17.863 -19.298 1.00 71.11 C ATOM 1987 OG1 THR A 125 -4.522 18.501 -20.578 1.00 5.11 O ATOM 1988 CG2 THR A 125 -3.418 16.768 -19.310 1.00 30.20 C ATOM 0 H THR A 125 -6.796 17.972 -20.690 1.00 61.30 H new ATOM 0 HA THR A 125 -5.731 16.292 -18.515 1.00 5.03 H new ATOM 0 HB THR A 125 -4.208 18.596 -18.537 1.00 71.11 H new ATOM 0 HG1 THR A 125 -3.639 18.868 -20.793 1.00 5.11 H new ATOM 0 HG21 THR A 125 -2.449 17.200 -19.560 1.00 30.20 H new ATOM 0 HG22 THR A 125 -3.365 16.303 -18.326 1.00 30.20 H new ATOM 0 HG23 THR A 125 -3.682 16.015 -20.053 1.00 30.20 H new ATOM 1996 N ALA A 126 -6.789 17.659 -16.739 1.00 4.10 N ATOM 1997 CA ALA A 126 -7.428 18.426 -15.677 1.00 33.25 C ATOM 1998 C ALA A 126 -7.226 17.759 -14.320 1.00 23.23 C ATOM 1999 O ALA A 126 -7.042 16.546 -14.219 1.00 64.02 O ATOM 2000 CB ALA A 126 -8.912 18.595 -15.968 1.00 4.21 C ATOM 0 H ALA A 126 -6.563 16.697 -16.488 1.00 4.10 H new ATOM 0 HA ALA A 126 -6.961 19.410 -15.642 1.00 33.25 H new ATOM 0 HB1 ALA A 126 -9.377 19.170 -15.167 1.00 4.21 H new ATOM 0 HB2 ALA A 126 -9.040 19.122 -16.914 1.00 4.21 H new ATOM 0 HB3 ALA A 126 -9.384 17.615 -16.032 1.00 4.21 H new ATOM 2006 N PRO A 127 -7.260 18.568 -13.251 1.00 22.14 N ATOM 2007 CA PRO A 127 -7.082 18.077 -11.881 1.00 40.42 C ATOM 2008 C PRO A 127 -8.265 17.240 -11.407 1.00 61.14 C ATOM 2009 O PRO A 127 -9.332 17.251 -12.021 1.00 13.12 O ATOM 2010 CB PRO A 127 -6.972 19.362 -11.056 1.00 14.22 C ATOM 2011 CG PRO A 127 -7.698 20.388 -11.855 1.00 5.34 C ATOM 2012 CD PRO A 127 -7.476 20.024 -13.296 1.00 61.44 C ATOM 0 HA PRO A 127 -6.216 17.421 -11.792 1.00 40.42 H new ATOM 0 HB2 PRO A 127 -7.419 19.239 -10.070 1.00 14.22 H new ATOM 0 HB3 PRO A 127 -5.931 19.645 -10.901 1.00 14.22 H new ATOM 0 HG2 PRO A 127 -8.761 20.391 -11.613 1.00 5.34 H new ATOM 0 HG3 PRO A 127 -7.320 21.388 -11.642 1.00 5.34 H new ATOM 0 HD2 PRO A 127 -8.336 20.284 -13.913 1.00 61.44 H new ATOM 0 HD3 PRO A 127 -6.615 20.545 -13.714 1.00 61.44 H new ATOM 2020 N SER A 128 -8.069 16.513 -10.312 1.00 1.23 N ATOM 2021 CA SER A 128 -9.119 15.666 -9.757 1.00 53.31 C ATOM 2022 C SER A 128 -8.680 15.055 -8.430 1.00 41.41 C ATOM 2023 O SER A 128 -7.575 15.310 -7.952 1.00 61.44 O ATOM 2024 CB SER A 128 -9.484 14.559 -10.746 1.00 74.21 C ATOM 2025 OG SER A 128 -8.561 14.507 -11.819 1.00 62.02 O ATOM 0 H SER A 128 -7.192 16.493 -9.791 1.00 1.23 H new ATOM 0 HA SER A 128 -9.997 16.287 -9.577 1.00 53.31 H new ATOM 0 HB2 SER A 128 -9.502 13.599 -10.231 1.00 74.21 H new ATOM 0 HB3 SER A 128 -10.488 14.731 -11.134 1.00 74.21 H new ATOM 0 HG SER A 128 -8.817 13.790 -12.436 1.00 62.02 H new ATOM 2031 N SER A 129 -9.556 14.248 -7.839 1.00 62.04 N ATOM 2032 CA SER A 129 -9.261 13.602 -6.566 1.00 10.14 C ATOM 2033 C SER A 129 -8.999 14.641 -5.478 1.00 74.44 C ATOM 2034 O SER A 129 -8.983 15.841 -5.743 1.00 45.35 O ATOM 2035 CB SER A 129 -8.051 12.678 -6.705 1.00 63.50 C ATOM 2036 OG SER A 129 -8.287 11.430 -6.078 1.00 4.24 O ATOM 0 H SER A 129 -10.475 14.026 -8.222 1.00 62.04 H new ATOM 0 HA SER A 129 -10.129 13.009 -6.279 1.00 10.14 H new ATOM 0 HB2 SER A 129 -7.828 12.522 -7.761 1.00 63.50 H new ATOM 0 HB3 SER A 129 -7.175 13.151 -6.261 1.00 63.50 H new ATOM 0 HG SER A 129 -7.499 10.857 -6.183 1.00 4.24 H new ATOM 2042 N GLU A 130 -8.797 14.167 -4.252 1.00 65.24 N ATOM 2043 CA GLU A 130 -8.536 15.053 -3.125 1.00 11.45 C ATOM 2044 C GLU A 130 -7.396 14.519 -2.264 1.00 32.53 C ATOM 2045 O GLU A 130 -6.872 13.433 -2.512 1.00 32.25 O ATOM 2046 CB GLU A 130 -9.798 15.217 -2.275 1.00 51.21 C ATOM 2047 CG GLU A 130 -11.024 15.621 -3.076 1.00 52.13 C ATOM 2048 CD GLU A 130 -12.185 16.039 -2.196 1.00 31.13 C ATOM 2049 OE1 GLU A 130 -12.795 15.156 -1.557 1.00 2.31 O ATOM 2050 OE2 GLU A 130 -12.484 17.251 -2.145 1.00 43.02 O ATOM 0 H GLU A 130 -8.809 13.175 -4.015 1.00 65.24 H new ATOM 0 HA GLU A 130 -8.243 16.025 -3.521 1.00 11.45 H new ATOM 0 HB2 GLU A 130 -10.004 14.278 -1.761 1.00 51.21 H new ATOM 0 HB3 GLU A 130 -9.613 15.968 -1.507 1.00 51.21 H new ATOM 0 HG2 GLU A 130 -10.763 16.444 -3.742 1.00 52.13 H new ATOM 0 HG3 GLU A 130 -11.333 14.787 -3.706 1.00 52.13 H new ATOM 2057 N LYS A 131 -7.015 15.290 -1.251 1.00 51.21 N ATOM 2058 CA LYS A 131 -5.937 14.897 -0.352 1.00 61.43 C ATOM 2059 C LYS A 131 -6.321 15.150 1.102 1.00 11.21 C ATOM 2060 O LYS A 131 -7.239 15.919 1.386 1.00 34.52 O ATOM 2061 CB LYS A 131 -4.656 15.661 -0.693 1.00 63.51 C ATOM 2062 CG LYS A 131 -3.424 14.776 -0.775 1.00 23.32 C ATOM 2063 CD LYS A 131 -3.418 13.943 -2.045 1.00 1.04 C ATOM 2064 CE LYS A 131 -2.759 12.590 -1.822 1.00 0.25 C ATOM 2065 NZ LYS A 131 -1.303 12.723 -1.534 1.00 52.11 N ATOM 0 H LYS A 131 -7.438 16.192 -1.032 1.00 51.21 H new ATOM 0 HA LYS A 131 -5.761 13.829 -0.482 1.00 61.43 H new ATOM 0 HB2 LYS A 131 -4.790 16.172 -1.647 1.00 63.51 H new ATOM 0 HB3 LYS A 131 -4.491 16.431 0.061 1.00 63.51 H new ATOM 0 HG2 LYS A 131 -2.528 15.395 -0.741 1.00 23.32 H new ATOM 0 HG3 LYS A 131 -3.390 14.118 0.093 1.00 23.32 H new ATOM 0 HD2 LYS A 131 -4.441 13.798 -2.391 1.00 1.04 H new ATOM 0 HD3 LYS A 131 -2.889 14.481 -2.832 1.00 1.04 H new ATOM 0 HE2 LYS A 131 -3.248 12.080 -0.992 1.00 0.25 H new ATOM 0 HE3 LYS A 131 -2.899 11.968 -2.706 1.00 0.25 H new ATOM 0 HZ1 LYS A 131 -0.890 11.780 -1.388 1.00 52.11 H new ATOM 0 HZ2 LYS A 131 -0.831 13.187 -2.336 1.00 52.11 H new ATOM 0 HZ3 LYS A 131 -1.170 13.296 -0.676 1.00 52.11 H new ATOM 2079 N GLY A 132 -5.611 14.502 2.019 1.00 22.22 N ATOM 2080 CA GLY A 132 -5.892 14.672 3.433 1.00 51.23 C ATOM 2081 C GLY A 132 -4.988 13.829 4.310 1.00 72.23 C ATOM 2082 O GLY A 132 -3.801 14.120 4.450 1.00 23.54 O ATOM 0 H GLY A 132 -4.845 13.862 1.809 1.00 22.22 H new ATOM 0 HA2 GLY A 132 -5.775 15.722 3.700 1.00 51.23 H new ATOM 0 HA3 GLY A 132 -6.931 14.408 3.628 1.00 51.23 H new ATOM 2086 N GLY A 133 -5.551 12.782 4.905 1.00 64.12 N ATOM 2087 CA GLY A 133 -4.774 11.911 5.767 1.00 24.43 C ATOM 2088 C GLY A 133 -4.450 12.555 7.101 1.00 65.34 C ATOM 2089 O GLY A 133 -3.577 13.417 7.186 1.00 43.14 O ATOM 0 H GLY A 133 -6.532 12.521 4.805 1.00 64.12 H new ATOM 0 HA2 GLY A 133 -5.326 10.987 5.938 1.00 24.43 H new ATOM 0 HA3 GLY A 133 -3.846 11.640 5.263 1.00 24.43 H new ATOM 2093 N ASN A 134 -5.156 12.135 8.146 1.00 50.35 N ATOM 2094 CA ASN A 134 -4.941 12.679 9.481 1.00 14.12 C ATOM 2095 C ASN A 134 -5.680 11.853 10.530 1.00 1.20 C ATOM 2096 O ASN A 134 -6.837 11.477 10.338 1.00 65.11 O ATOM 2097 CB ASN A 134 -5.406 14.135 9.543 1.00 41.52 C ATOM 2098 CG ASN A 134 -4.306 15.074 10.003 1.00 13.23 C ATOM 2099 OD1 ASN A 134 -3.775 14.932 11.105 1.00 72.15 O ATOM 2100 ND2 ASN A 134 -3.961 16.039 9.160 1.00 32.11 N ATOM 0 H ASN A 134 -5.881 11.420 8.094 1.00 50.35 H new ATOM 0 HA ASN A 134 -3.873 12.636 9.696 1.00 14.12 H new ATOM 0 HB2 ASN A 134 -5.756 14.444 8.558 1.00 41.52 H new ATOM 0 HB3 ASN A 134 -6.255 14.214 10.222 1.00 41.52 H new ATOM 0 HD21 ASN A 134 -3.228 16.701 9.415 1.00 32.11 H new ATOM 0 HD22 ASN A 134 -4.428 16.119 8.257 1.00 32.11 H new ATOM 2107 N TYR A 135 -5.004 11.575 11.640 1.00 61.22 N ATOM 2108 CA TYR A 135 -5.595 10.792 12.719 1.00 71.45 C ATOM 2109 C TYR A 135 -5.990 9.402 12.230 1.00 62.31 C ATOM 2110 O TYR A 135 -5.466 8.948 11.214 1.00 45.13 O ATOM 2111 CB TYR A 135 -6.819 11.512 13.287 1.00 32.31 C ATOM 2112 CG TYR A 135 -7.177 11.080 14.692 1.00 71.04 C ATOM 2113 CD1 TYR A 135 -7.828 9.875 14.925 1.00 71.14 C ATOM 2114 CD2 TYR A 135 -6.865 11.878 15.785 1.00 62.11 C ATOM 2115 CE1 TYR A 135 -8.157 9.476 16.206 1.00 41.22 C ATOM 2116 CE2 TYR A 135 -7.188 11.487 17.070 1.00 13.43 C ATOM 2117 CZ TYR A 135 -7.835 10.286 17.275 1.00 4.11 C ATOM 2118 OH TYR A 135 -8.161 9.894 18.554 1.00 64.33 O ATOM 0 H TYR A 135 -4.047 11.880 11.816 1.00 61.22 H new ATOM 0 HA TYR A 135 -4.849 10.682 13.506 1.00 71.45 H new ATOM 0 HB2 TYR A 135 -6.633 12.586 13.282 1.00 32.31 H new ATOM 0 HB3 TYR A 135 -7.672 11.333 12.632 1.00 32.31 H new ATOM 0 HD1 TYR A 135 -8.081 9.239 14.090 1.00 71.14 H new ATOM 0 HD2 TYR A 135 -6.361 12.820 15.628 1.00 62.11 H new ATOM 0 HE1 TYR A 135 -8.663 8.536 16.369 1.00 41.22 H new ATOM 0 HE2 TYR A 135 -6.935 12.118 17.909 1.00 13.43 H new ATOM 0 HH TYR A 135 -7.863 10.577 19.191 1.00 64.33 H new TER 2128 TYR A 135 HETATM 2129 C1 MYR A 1 8.475 7.735 6.625 1.00 4.13 C HETATM 2130 O2 MYR A 1 7.453 8.072 7.222 1.00 2.11 O HETATM 2131 C2 MYR A 1 8.334 6.862 5.378 1.00 43.23 C HETATM 2132 C3 MYR A 1 7.538 7.514 4.223 1.00 32.04 C HETATM 2133 C4 MYR A 1 7.395 6.573 3.013 1.00 23.23 C HETATM 2134 C5 MYR A 1 6.730 7.269 1.811 1.00 72.00 C HETATM 2135 C6 MYR A 1 6.780 6.404 0.537 1.00 42.44 C HETATM 2136 C7 MYR A 1 5.749 6.856 -0.514 1.00 54.03 C HETATM 2137 C8 MYR A 1 5.373 5.722 -1.487 1.00 44.24 C HETATM 2138 C9 MYR A 1 3.853 5.479 -1.540 1.00 44.33 C HETATM 2139 C10 MYR A 1 3.493 3.991 -1.351 1.00 12.13 C HETATM 2140 C11 MYR A 1 2.056 3.744 -0.845 1.00 44.43 C HETATM 2141 C12 MYR A 1 1.437 2.412 -1.318 1.00 14.13 C HETATM 2142 C13 MYR A 1 0.652 1.706 -0.198 1.00 33.10 C HETATM 2143 C14 MYR A 1 0.953 0.202 -0.152 1.00 14.12 C HETATM 0 H143 MYR A 1 0.677 -0.254 -1.103 1.00 14.12 H new HETATM 0 H142 MYR A 1 2.017 0.049 0.028 1.00 14.12 H new HETATM 0 H141 MYR A 1 0.379 -0.259 0.652 1.00 14.12 H new HETATM 0 H132 MYR A 1 0.904 2.157 0.762 1.00 33.10 H new HETATM 0 H131 MYR A 1 -0.416 1.858 -0.351 1.00 33.10 H new HETATM 0 H122 MYR A 1 0.773 2.601 -2.161 1.00 14.13 H new HETATM 0 H121 MYR A 1 2.228 1.753 -1.676 1.00 14.13 H new HETATM 0 H112 MYR A 1 2.059 3.763 0.245 1.00 44.43 H new HETATM 0 H111 MYR A 1 1.420 4.565 -1.177 1.00 44.43 H new HETATM 0 H102 MYR A 1 3.625 3.474 -2.301 1.00 12.13 H new HETATM 0 H101 MYR A 1 4.195 3.546 -0.646 1.00 12.13 H new HETATM 0 H92 MYR A 1 3.365 6.070 -0.765 1.00 44.33 H new HETATM 0 H91 MYR A 1 3.465 5.826 -2.497 1.00 44.33 H new HETATM 0 H82 MYR A 1 5.735 5.968 -2.485 1.00 44.24 H new HETATM 0 H81 MYR A 1 5.875 4.804 -1.183 1.00 44.24 H new HETATM 0 H72 MYR A 1 4.851 7.212 -0.009 1.00 54.03 H new HETATM 0 H71 MYR A 1 6.152 7.697 -1.078 1.00 54.03 H new HETATM 0 H62 MYR A 1 7.780 6.452 0.106 1.00 42.44 H new HETATM 0 H61 MYR A 1 6.596 5.362 0.800 1.00 42.44 H new HETATM 0 H52 MYR A 1 5.692 7.496 2.053 1.00 72.00 H new HETATM 0 H51 MYR A 1 7.229 8.220 1.622 1.00 72.00 H new HETATM 0 H42 MYR A 1 8.379 6.208 2.720 1.00 23.23 H new HETATM 0 H41 MYR A 1 6.804 5.703 3.299 1.00 23.23 H new HETATM 0 H32 MYR A 1 6.548 7.797 4.580 1.00 32.04 H new HETATM 0 H31 MYR A 1 8.038 8.431 3.911 1.00 32.04 H new HETATM 0 H22 MYR A 1 9.329 6.605 5.016 1.00 43.23 H new HETATM 0 H21 MYR A 1 7.845 5.929 5.657 1.00 43.23 H new HETATM 2171 P1 PBU A 300 9.874 -11.916 2.809 1.00 4.40 P HETATM 2172 P4 PBU A 300 4.437 -16.883 -1.763 1.00 33.25 P HETATM 2173 P5 PBU A 300 7.505 -15.385 -4.158 1.00 52.33 P HETATM 2174 C3' PBU A 300 11.809 -10.986 1.508 1.00 43.02 C HETATM 2175 C2' PBU A 300 11.545 -9.477 1.276 1.00 75.24 C HETATM 2176 O2' PBU A 300 11.324 -9.267 -0.108 1.00 50.15 O HETATM 2177 C1' PBU A 300 12.736 -8.602 1.735 1.00 75.24 C HETATM 2178 O1' PBU A 300 13.269 -9.134 2.931 1.00 51.13 O HETATM 2179 C1 PBU A 300 8.378 -13.270 0.681 1.00 23.21 C HETATM 2180 O1 PBU A 300 9.637 -12.889 1.472 1.00 11.30 O HETATM 2181 C2 PBU A 300 7.321 -14.117 1.470 1.00 40.25 C HETATM 2182 O2 PBU A 300 7.861 -15.315 2.017 1.00 21.41 O HETATM 2183 C3 PBU A 300 6.124 -14.474 0.560 1.00 53.22 C HETATM 2184 O3 PBU A 300 5.199 -15.249 1.337 1.00 22.53 O HETATM 2185 C4 PBU A 300 6.596 -15.241 -0.735 1.00 14.43 C HETATM 2186 O4 PBU A 300 5.395 -15.526 -1.619 1.00 54.23 O HETATM 2187 C5 PBU A 300 7.653 -14.346 -1.496 1.00 73.14 C HETATM 2188 O5 PBU A 300 8.136 -15.086 -2.665 1.00 1.32 O HETATM 2189 C6 PBU A 300 8.862 -13.966 -0.604 1.00 74.05 C HETATM 2190 O6 PBU A 300 9.761 -13.060 -1.262 1.00 10.23 O HETATM 2191 C7 PBU A 300 10.016 -9.496 -0.604 1.00 2.30 C HETATM 2192 O7 PBU A 300 9.795 -10.425 -1.348 1.00 64.01 O HETATM 2193 C8 PBU A 300 8.866 -8.566 -0.180 1.00 35.05 C HETATM 2194 C9 PBU A 300 7.924 -8.306 -1.371 1.00 31.42 C HETATM 2195 C10 PBU A 300 6.541 -8.912 -1.072 1.00 72.21 C HETATM 2196 C11 PBU A 300 12.914 -8.627 4.197 1.00 3.00 C HETATM 2197 O11 PBU A 300 11.973 -7.884 4.403 1.00 62.13 O HETATM 2198 C12 PBU A 300 13.856 -9.031 5.365 1.00 61.32 C HETATM 2199 C13 PBU A 300 14.851 -7.926 5.758 1.00 22.34 C HETATM 2200 C14 PBU A 300 16.225 -8.518 6.119 1.00 61.52 C HETATM 2201 O41 PBU A 300 4.255 -17.195 -0.279 1.00 0.53 O HETATM 2202 O42 PBU A 300 3.187 -16.423 -2.463 1.00 3.32 O HETATM 2203 O43 PBU A 300 5.163 -17.945 -2.572 1.00 64.14 O HETATM 2204 O51 PBU A 300 8.729 -15.157 -5.022 1.00 11.01 O HETATM 2205 O52 PBU A 300 6.982 -16.807 -4.040 1.00 62.32 O HETATM 2206 O53 PBU A 300 6.437 -14.325 -4.302 1.00 12.22 O HETATM 2207 OP1 PBU A 300 11.289 -11.420 2.747 1.00 2.41 O HETATM 2208 OP2 PBU A 300 8.827 -10.815 2.626 1.00 52.35 O HETATM 2209 OP3 PBU A 300 9.695 -12.849 3.977 1.00 24.52 O HETATM 0 H3'2 PBU A 300 11.358 -11.563 0.701 1.00 43.02 H new HETATM 0 H3'1 PBU A 300 12.882 -11.178 1.476 1.00 43.02 H new HETATM 0 H143 PBU A 300 16.116 -9.203 6.960 1.00 61.52 H new HETATM 0 H142 PBU A 300 16.626 -9.057 5.261 1.00 61.52 H new HETATM 0 H141 PBU A 300 16.907 -7.713 6.393 1.00 61.52 H new HETATM 0 H132 PBU A 300 14.961 -7.222 4.933 1.00 22.34 H new HETATM 0 H131 PBU A 300 14.459 -7.365 6.607 1.00 22.34 H new HETATM 0 H122 PBU A 300 13.253 -9.292 6.234 1.00 61.32 H new HETATM 0 H121 PBU A 300 14.411 -9.925 5.082 1.00 61.32 H new HETATM 0 H1'2 PBU A 300 13.503 -8.576 0.961 1.00 75.24 H new HETATM 0 H1'1 PBU A 300 12.408 -7.575 1.894 1.00 75.24 H new HETATM 0 H92 PBU A 300 7.833 -7.235 -1.549 1.00 31.42 H new HETATM 0 H91 PBU A 300 8.337 -8.746 -2.278 1.00 31.42 H new HETATM 0 H82 PBU A 300 8.309 -9.016 0.642 1.00 35.05 H new HETATM 0 H81 PBU A 300 9.269 -7.622 0.187 1.00 35.05 H new HETATM 0 H6 PBU A 300 9.383 -14.898 -0.383 1.00 74.05 H new HETATM 0 H5 PBU A 300 7.158 -13.419 -1.787 1.00 73.14 H new HETATM 0 H4 PBU A 300 7.059 -16.191 -0.468 1.00 14.43 H new HETATM 0 H3 PBU A 300 5.634 -13.566 0.207 1.00 53.22 H new HETATM 0 H2' PBU A 300 10.674 -9.188 1.865 1.00 75.24 H new HETATM 0 H2 PBU A 300 6.993 -13.492 2.301 1.00 40.25 H new HETATM 0 H13 PBU A 300 6.641 -9.986 -0.915 1.00 72.21 H new HETATM 0 H12 PBU A 300 6.128 -8.451 -0.175 1.00 72.21 H new HETATM 0 H11 PBU A 300 5.874 -8.729 -1.914 1.00 72.21 H new HETATM 0 H1 PBU A 300 7.817 -12.363 0.457 1.00 23.21 H new HETATM 0 H06 PBU A 300 9.636 -12.157 -0.903 1.00 10.23 H new HETATM 0 H03 PBU A 300 4.676 -15.827 0.743 1.00 22.53 H new HETATM 0 H02 PBU A 300 7.139 -15.960 2.168 1.00 21.41 H new