USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1029 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 LYS NZ :NH3+ -140:sc= 0.31 (180deg=0.274) USER MOD Set 1.2: A 78 SER OG : rot 77:sc= 0.119 USER MOD Set 2.1: A 60 SER OG : rot 35:sc= -0.289 USER MOD Set 2.2: A 90 TYR OH : rot 30:sc= 0.469 USER MOD Set 3.1: A 26 TYR OH : rot 180:sc= 0.551 USER MOD Set 3.2: A 113 LYS NZ :NH3+ -167:sc= 0.92 (180deg=0.46) USER MOD Set 4.1: A 18 SER OG : rot 108:sc= 0.0243 USER MOD Set 4.2: A 30 THR OG1 : rot 37:sc= 0.0267 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.0504 (180deg=-0.598) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.118) USER MOD Single : A 8 SER OG : rot 53:sc= 0.678 USER MOD Single : A 11 GLN : amide:sc= -0.635 K(o=-0.63,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 0.795 (180deg=0.759) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= 0.189 (180deg=-0.0579) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.00062) USER MOD Single : A 31 SER OG : rot 180:sc= 0.299 USER MOD Single : A 32 ASN : amide:sc= -2.87! C(o=-2.9!,f=-1.6!) USER MOD Single : A 34 LYS NZ :NH3+ -122:sc= -0.428 (180deg=-2.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.0055) USER MOD Single : A 48 MET CE :methyl -161:sc= -0.1 (180deg=-1.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -33:sc= 0.628 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= 0.867 (180deg=0.729) USER MOD Single : A 65 GLN : amide:sc= -0.631 K(o=-0.63,f=-0.11) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0.496 (180deg=0.451) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0533 USER MOD Single : A 81 ASN : amide:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 85 SER OG : rot 68:sc= 1.08 USER MOD Single : A 88 LYS NZ :NH3+ -112:sc= -0.108 (180deg=-1.43) USER MOD Single : A 89 GLN : amide:sc= 0.225 X(o=0.22,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -90:sc= 0.344 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 157:sc= 0.598 (180deg=0.353) USER MOD Single : A 105 LYS NZ :NH3+ -164:sc= 0.865 (180deg=0.61) USER MOD Single : A 117 SER OG : rot 39:sc= 0.0289 USER MOD Single : A 120 HIS : no HE2:sc=-0.00246 K(o=-0.0025,f=-1.5) USER MOD Single : A 121 HIS : no HD1:sc=-0.00153 K(o=-0.0015,f=-1.2) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.0796 X(o=-0.08,f=-0.0063) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HE2:sc= 0.0506 K(o=0.051,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.499 10.616 -5.772 1.00 64.10 N ATOM 2 CA MET A 1 15.052 10.910 -5.894 1.00 2.23 C ATOM 3 C MET A 1 14.245 9.618 -5.668 1.00 74.23 C ATOM 4 O MET A 1 14.190 8.746 -6.544 1.00 61.50 O ATOM 5 CB MET A 1 14.747 11.541 -7.287 1.00 20.23 C ATOM 6 CG MET A 1 13.284 11.985 -7.538 1.00 72.11 C ATOM 7 SD MET A 1 12.836 13.551 -6.727 1.00 60.41 S ATOM 8 CE MET A 1 12.188 13.034 -5.132 1.00 31.22 C ATOM 0 H1 MET A 1 17.045 11.488 -5.925 1.00 64.10 H new ATOM 0 H2 MET A 1 16.699 10.244 -4.821 1.00 64.10 H new ATOM 0 H3 MET A 1 16.771 9.909 -6.484 1.00 64.10 H new ATOM 0 HA MET A 1 14.758 11.634 -5.134 1.00 2.23 H new ATOM 0 HB2 MET A 1 15.394 12.408 -7.418 1.00 20.23 H new ATOM 0 HB3 MET A 1 15.022 10.819 -8.056 1.00 20.23 H new ATOM 0 HG2 MET A 1 13.125 12.085 -8.612 1.00 72.11 H new ATOM 0 HG3 MET A 1 12.612 11.201 -7.188 1.00 72.11 H new ATOM 0 HE1 MET A 1 12.561 13.700 -4.354 1.00 31.22 H new ATOM 0 HE2 MET A 1 11.099 13.074 -5.152 1.00 31.22 H new ATOM 0 HE3 MET A 1 12.510 12.014 -4.922 1.00 31.22 H new ATOM 20 N GLY A 2 13.679 9.485 -4.462 1.00 73.33 N ATOM 21 CA GLY A 2 12.756 8.401 -4.126 1.00 23.14 C ATOM 22 C GLY A 2 11.370 8.946 -3.816 1.00 65.31 C ATOM 23 O GLY A 2 11.142 10.160 -3.924 1.00 42.52 O ATOM 0 H GLY A 2 13.851 10.130 -3.691 1.00 73.33 H new ATOM 0 HA2 GLY A 2 12.697 7.697 -4.956 1.00 23.14 H new ATOM 0 HA3 GLY A 2 13.135 7.849 -3.266 1.00 23.14 H new ATOM 27 N LYS A 3 10.453 8.064 -3.395 1.00 54.32 N ATOM 28 CA LYS A 3 9.052 8.434 -3.149 1.00 54.43 C ATOM 29 C LYS A 3 8.326 7.311 -2.394 1.00 24.53 C ATOM 30 O LYS A 3 8.124 6.220 -2.949 1.00 13.40 O ATOM 31 CB LYS A 3 8.320 8.738 -4.494 1.00 44.42 C ATOM 32 CG LYS A 3 6.892 9.299 -4.344 1.00 12.01 C ATOM 33 CD LYS A 3 6.885 10.644 -3.594 1.00 40.35 C ATOM 34 CE LYS A 3 5.476 11.177 -3.326 1.00 75.21 C ATOM 35 NZ LYS A 3 5.526 12.468 -2.587 1.00 30.44 N ATOM 0 H LYS A 3 10.659 7.081 -3.216 1.00 54.32 H new ATOM 0 HA LYS A 3 9.039 9.335 -2.535 1.00 54.43 H new ATOM 0 HB2 LYS A 3 8.917 9.451 -5.062 1.00 44.42 H new ATOM 0 HB3 LYS A 3 8.274 7.821 -5.081 1.00 44.42 H new ATOM 0 HG2 LYS A 3 6.447 9.430 -5.330 1.00 12.01 H new ATOM 0 HG3 LYS A 3 6.273 8.580 -3.808 1.00 12.01 H new ATOM 0 HD2 LYS A 3 7.409 10.526 -2.645 1.00 40.35 H new ATOM 0 HD3 LYS A 3 7.440 11.380 -4.175 1.00 40.35 H new ATOM 0 HE2 LYS A 3 4.950 11.315 -4.270 1.00 75.21 H new ATOM 0 HE3 LYS A 3 4.910 10.445 -2.749 1.00 75.21 H new ATOM 0 HZ1 LYS A 3 4.574 12.884 -2.551 1.00 30.44 H new ATOM 0 HZ2 LYS A 3 5.868 12.301 -1.619 1.00 30.44 H new ATOM 0 HZ3 LYS A 3 6.171 13.122 -3.074 1.00 30.44 H new ATOM 49 N VAL A 4 7.968 7.576 -1.124 1.00 40.22 N ATOM 50 CA VAL A 4 7.095 6.707 -0.325 1.00 5.20 C ATOM 51 C VAL A 4 5.654 7.212 -0.482 1.00 23.12 C ATOM 52 O VAL A 4 5.364 8.368 -0.154 1.00 42.53 O ATOM 53 CB VAL A 4 7.477 6.709 1.207 1.00 54.25 C ATOM 54 CG1 VAL A 4 6.627 5.681 1.996 1.00 43.22 C ATOM 55 CG2 VAL A 4 8.989 6.469 1.414 1.00 20.43 C ATOM 0 H VAL A 4 8.281 8.407 -0.623 1.00 40.22 H new ATOM 0 HA VAL A 4 7.208 5.684 -0.684 1.00 5.20 H new ATOM 0 HB VAL A 4 7.250 7.699 1.602 1.00 54.25 H new ATOM 0 HG11 VAL A 4 6.912 5.704 3.048 1.00 43.22 H new ATOM 0 HG12 VAL A 4 5.571 5.932 1.900 1.00 43.22 H new ATOM 0 HG13 VAL A 4 6.800 4.682 1.595 1.00 43.22 H new ATOM 0 HG21 VAL A 4 9.216 6.477 2.480 1.00 20.43 H new ATOM 0 HG22 VAL A 4 9.265 5.503 0.991 1.00 20.43 H new ATOM 0 HG23 VAL A 4 9.554 7.258 0.917 1.00 20.43 H new ATOM 65 N VAL A 5 4.770 6.370 -1.026 1.00 23.35 N ATOM 66 CA VAL A 5 3.334 6.673 -1.163 1.00 63.44 C ATOM 67 C VAL A 5 2.517 5.636 -0.389 1.00 20.22 C ATOM 68 O VAL A 5 2.797 4.442 -0.459 1.00 72.41 O ATOM 69 CB VAL A 5 2.883 6.683 -2.682 1.00 51.10 C ATOM 70 CG1 VAL A 5 1.347 6.820 -2.834 1.00 53.03 C ATOM 71 CG2 VAL A 5 3.607 7.804 -3.462 1.00 74.42 C ATOM 0 H VAL A 5 5.028 5.452 -1.387 1.00 23.35 H new ATOM 0 HA VAL A 5 3.157 7.668 -0.755 1.00 63.44 H new ATOM 0 HB VAL A 5 3.167 5.720 -3.106 1.00 51.10 H new ATOM 0 HG11 VAL A 5 1.085 6.822 -3.892 1.00 53.03 H new ATOM 0 HG12 VAL A 5 0.856 5.981 -2.340 1.00 53.03 H new ATOM 0 HG13 VAL A 5 1.018 7.753 -2.377 1.00 53.03 H new ATOM 0 HG21 VAL A 5 3.282 7.792 -4.502 1.00 74.42 H new ATOM 0 HG22 VAL A 5 3.367 8.770 -3.018 1.00 74.42 H new ATOM 0 HG23 VAL A 5 4.684 7.642 -3.417 1.00 74.42 H new ATOM 81 N PHE A 6 1.529 6.100 0.378 1.00 25.30 N ATOM 82 CA PHE A 6 0.486 5.243 0.933 1.00 1.44 C ATOM 83 C PHE A 6 -0.827 5.515 0.196 1.00 12.42 C ATOM 84 O PHE A 6 -1.357 6.628 0.241 1.00 5.31 O ATOM 85 CB PHE A 6 0.297 5.477 2.446 1.00 25.34 C ATOM 86 CG PHE A 6 -0.732 4.541 3.065 1.00 71.21 C ATOM 87 CD1 PHE A 6 -0.427 3.199 3.256 1.00 21.23 C ATOM 88 CD2 PHE A 6 -2.001 4.990 3.429 1.00 32.40 C ATOM 89 CE1 PHE A 6 -1.351 2.327 3.785 1.00 31.13 C ATOM 90 CE2 PHE A 6 -2.919 4.119 3.965 1.00 30.22 C ATOM 91 CZ PHE A 6 -2.594 2.787 4.139 1.00 23.11 C ATOM 0 H PHE A 6 1.431 7.083 0.631 1.00 25.30 H new ATOM 0 HA PHE A 6 0.788 4.204 0.798 1.00 1.44 H new ATOM 0 HB2 PHE A 6 1.253 5.343 2.952 1.00 25.34 H new ATOM 0 HB3 PHE A 6 -0.011 6.509 2.614 1.00 25.34 H new ATOM 0 HD1 PHE A 6 0.552 2.834 2.985 1.00 21.23 H new ATOM 0 HD2 PHE A 6 -2.264 6.028 3.289 1.00 32.40 H new ATOM 0 HE1 PHE A 6 -1.099 1.286 3.921 1.00 31.13 H new ATOM 0 HE2 PHE A 6 -3.897 4.476 4.251 1.00 30.22 H new ATOM 0 HZ PHE A 6 -3.321 2.106 4.555 1.00 23.11 H new ATOM 101 N LEU A 7 -1.336 4.495 -0.480 1.00 73.52 N ATOM 102 CA LEU A 7 -2.653 4.524 -1.107 1.00 61.14 C ATOM 103 C LEU A 7 -3.639 3.728 -0.228 1.00 44.21 C ATOM 104 O LEU A 7 -3.279 2.681 0.310 1.00 11.02 O ATOM 105 CB LEU A 7 -2.559 3.918 -2.530 1.00 3.12 C ATOM 106 CG LEU A 7 -3.888 3.852 -3.341 1.00 4.32 C ATOM 107 CD1 LEU A 7 -4.505 5.252 -3.542 1.00 73.40 C ATOM 108 CD2 LEU A 7 -3.665 3.136 -4.685 1.00 12.04 C ATOM 0 H LEU A 7 -0.841 3.613 -0.611 1.00 73.52 H new ATOM 0 HA LEU A 7 -3.011 5.549 -1.197 1.00 61.14 H new ATOM 0 HB2 LEU A 7 -1.837 4.500 -3.103 1.00 3.12 H new ATOM 0 HB3 LEU A 7 -2.159 2.908 -2.446 1.00 3.12 H new ATOM 0 HG LEU A 7 -4.605 3.271 -2.761 1.00 4.32 H new ATOM 0 HD11 LEU A 7 -5.430 5.164 -4.112 1.00 73.40 H new ATOM 0 HD12 LEU A 7 -4.718 5.698 -2.571 1.00 73.40 H new ATOM 0 HD13 LEU A 7 -3.803 5.884 -4.086 1.00 73.40 H new ATOM 0 HD21 LEU A 7 -4.604 3.099 -5.238 1.00 12.04 H new ATOM 0 HD22 LEU A 7 -2.922 3.680 -5.268 1.00 12.04 H new ATOM 0 HD23 LEU A 7 -3.311 2.121 -4.502 1.00 12.04 H new ATOM 120 N SER A 8 -4.860 4.252 -0.052 1.00 70.43 N ATOM 121 CA SER A 8 -5.956 3.545 0.626 1.00 61.21 C ATOM 122 C SER A 8 -7.297 4.113 0.161 1.00 0.15 C ATOM 123 O SER A 8 -7.351 5.212 -0.390 1.00 23.42 O ATOM 124 CB SER A 8 -5.823 3.667 2.164 1.00 2.10 C ATOM 125 OG SER A 8 -6.912 3.057 2.850 1.00 13.22 O ATOM 0 H SER A 8 -5.117 5.184 -0.378 1.00 70.43 H new ATOM 0 HA SER A 8 -5.904 2.487 0.367 1.00 61.21 H new ATOM 0 HB2 SER A 8 -4.890 3.204 2.484 1.00 2.10 H new ATOM 0 HB3 SER A 8 -5.767 4.720 2.439 1.00 2.10 H new ATOM 0 HG SER A 8 -7.022 2.136 2.535 1.00 13.22 H new ATOM 131 N ASP A 9 -8.370 3.347 0.381 1.00 64.31 N ATOM 132 CA ASP A 9 -9.746 3.797 0.101 1.00 73.52 C ATOM 133 C ASP A 9 -10.424 4.258 1.395 1.00 2.33 C ATOM 134 O ASP A 9 -11.285 5.142 1.392 1.00 42.45 O ATOM 135 CB ASP A 9 -10.565 2.654 -0.547 1.00 32.34 C ATOM 136 CG ASP A 9 -11.947 3.118 -1.046 1.00 13.20 C ATOM 137 OD1 ASP A 9 -12.984 2.677 -0.507 1.00 35.32 O ATOM 138 OD2 ASP A 9 -11.990 3.936 -1.995 1.00 40.41 O ATOM 0 H ASP A 9 -8.315 2.400 0.757 1.00 64.31 H new ATOM 0 HA ASP A 9 -9.703 4.635 -0.594 1.00 73.52 H new ATOM 0 HB2 ASP A 9 -10.002 2.239 -1.383 1.00 32.34 H new ATOM 0 HB3 ASP A 9 -10.696 1.851 0.178 1.00 32.34 H new ATOM 143 N ASP A 10 -9.997 3.642 2.497 1.00 23.41 N ATOM 144 CA ASP A 10 -10.620 3.793 3.809 1.00 24.32 C ATOM 145 C ASP A 10 -10.111 5.092 4.459 1.00 73.44 C ATOM 146 O ASP A 10 -8.910 5.208 4.726 1.00 22.51 O ATOM 147 CB ASP A 10 -10.273 2.563 4.682 1.00 2.14 C ATOM 148 CG ASP A 10 -10.384 1.216 3.941 1.00 10.45 C ATOM 149 OD1 ASP A 10 -11.513 0.720 3.766 1.00 34.45 O ATOM 150 OD2 ASP A 10 -9.335 0.649 3.534 1.00 22.24 O ATOM 0 H ASP A 10 -9.194 3.013 2.502 1.00 23.41 H new ATOM 0 HA ASP A 10 -11.704 3.853 3.712 1.00 24.32 H new ATOM 0 HB2 ASP A 10 -9.257 2.675 5.061 1.00 2.14 H new ATOM 0 HB3 ASP A 10 -10.936 2.546 5.547 1.00 2.14 H new ATOM 155 N GLN A 11 -11.030 6.055 4.690 1.00 23.24 N ATOM 156 CA GLN A 11 -10.694 7.421 5.160 1.00 3.42 C ATOM 157 C GLN A 11 -9.849 7.422 6.453 1.00 2.01 C ATOM 158 O GLN A 11 -8.805 8.096 6.502 1.00 61.24 O ATOM 159 CB GLN A 11 -11.977 8.275 5.369 1.00 35.10 C ATOM 160 CG GLN A 11 -11.719 9.742 5.801 1.00 44.33 C ATOM 161 CD GLN A 11 -10.945 10.568 4.765 1.00 3.12 C ATOM 162 OE1 GLN A 11 -11.537 11.183 3.885 1.00 74.52 O ATOM 163 NE2 GLN A 11 -9.623 10.587 4.864 1.00 71.44 N ATOM 0 H GLN A 11 -12.030 5.908 4.556 1.00 23.24 H new ATOM 0 HA GLN A 11 -10.087 7.868 4.372 1.00 3.42 H new ATOM 0 HB2 GLN A 11 -12.549 8.280 4.441 1.00 35.10 H new ATOM 0 HB3 GLN A 11 -12.598 7.793 6.124 1.00 35.10 H new ATOM 0 HG2 GLN A 11 -12.676 10.227 5.996 1.00 44.33 H new ATOM 0 HG3 GLN A 11 -11.164 9.742 6.739 1.00 44.33 H new ATOM 0 HE21 GLN A 11 -9.160 10.065 5.608 1.00 71.44 H new ATOM 0 HE22 GLN A 11 -9.069 11.124 4.197 1.00 71.44 H new ATOM 172 N GLU A 12 -10.299 6.649 7.472 1.00 23.55 N ATOM 173 CA GLU A 12 -9.599 6.554 8.775 1.00 3.51 C ATOM 174 C GLU A 12 -8.145 6.119 8.565 1.00 65.01 C ATOM 175 O GLU A 12 -7.227 6.814 8.983 1.00 1.23 O ATOM 176 CB GLU A 12 -10.317 5.570 9.745 1.00 10.15 C ATOM 177 CG GLU A 12 -11.740 5.997 10.148 1.00 31.31 C ATOM 178 CD GLU A 12 -12.393 5.025 11.145 1.00 52.35 C ATOM 179 OE1 GLU A 12 -12.209 5.198 12.372 1.00 23.33 O ATOM 180 OE2 GLU A 12 -13.072 4.070 10.702 1.00 23.20 O ATOM 0 H GLU A 12 -11.145 6.082 7.415 1.00 23.55 H new ATOM 0 HA GLU A 12 -9.617 7.543 9.232 1.00 3.51 H new ATOM 0 HB2 GLU A 12 -10.365 4.587 9.276 1.00 10.15 H new ATOM 0 HB3 GLU A 12 -9.714 5.464 10.647 1.00 10.15 H new ATOM 0 HG2 GLU A 12 -11.705 6.993 10.589 1.00 31.31 H new ATOM 0 HG3 GLU A 12 -12.361 6.066 9.255 1.00 31.31 H new ATOM 187 N ILE A 13 -7.988 4.985 7.871 1.00 33.54 N ATOM 188 CA ILE A 13 -6.687 4.413 7.473 1.00 14.31 C ATOM 189 C ILE A 13 -5.717 5.461 6.857 1.00 35.45 C ATOM 190 O ILE A 13 -4.545 5.539 7.264 1.00 21.51 O ATOM 191 CB ILE A 13 -6.910 3.255 6.441 1.00 10.50 C ATOM 192 CG1 ILE A 13 -7.788 2.113 7.040 1.00 60.12 C ATOM 193 CG2 ILE A 13 -5.578 2.706 5.919 1.00 4.14 C ATOM 194 CD1 ILE A 13 -7.140 1.309 8.138 1.00 14.53 C ATOM 0 H ILE A 13 -8.780 4.422 7.561 1.00 33.54 H new ATOM 0 HA ILE A 13 -6.222 4.038 8.385 1.00 14.31 H new ATOM 0 HB ILE A 13 -7.451 3.679 5.595 1.00 10.50 H new ATOM 0 HG12 ILE A 13 -8.708 2.550 7.427 1.00 60.12 H new ATOM 0 HG13 ILE A 13 -8.071 1.435 6.235 1.00 60.12 H new ATOM 0 HG21 ILE A 13 -5.769 1.904 5.206 1.00 4.14 H new ATOM 0 HG22 ILE A 13 -5.023 3.505 5.427 1.00 4.14 H new ATOM 0 HG23 ILE A 13 -4.993 2.318 6.753 1.00 4.14 H new ATOM 0 HD11 ILE A 13 -7.833 0.542 8.485 1.00 14.53 H new ATOM 0 HD12 ILE A 13 -6.236 0.835 7.757 1.00 14.53 H new ATOM 0 HD13 ILE A 13 -6.882 1.967 8.968 1.00 14.53 H new ATOM 206 N ILE A 14 -6.221 6.255 5.881 1.00 11.23 N ATOM 207 CA ILE A 14 -5.432 7.312 5.209 1.00 11.34 C ATOM 208 C ILE A 14 -4.888 8.312 6.248 1.00 44.15 C ATOM 209 O ILE A 14 -3.692 8.608 6.268 1.00 43.22 O ATOM 210 CB ILE A 14 -6.290 8.074 4.125 1.00 21.31 C ATOM 211 CG1 ILE A 14 -6.814 7.082 3.041 1.00 74.14 C ATOM 212 CG2 ILE A 14 -5.487 9.226 3.471 1.00 70.34 C ATOM 213 CD1 ILE A 14 -7.688 7.707 1.979 1.00 12.03 C ATOM 0 H ILE A 14 -7.180 6.180 5.541 1.00 11.23 H new ATOM 0 HA ILE A 14 -4.597 6.830 4.700 1.00 11.34 H new ATOM 0 HB ILE A 14 -7.147 8.517 4.633 1.00 21.31 H new ATOM 0 HG12 ILE A 14 -5.959 6.611 2.557 1.00 74.14 H new ATOM 0 HG13 ILE A 14 -7.377 6.290 3.535 1.00 74.14 H new ATOM 0 HG21 ILE A 14 -6.109 9.728 2.730 1.00 70.34 H new ATOM 0 HG22 ILE A 14 -5.187 9.941 4.237 1.00 70.34 H new ATOM 0 HG23 ILE A 14 -4.600 8.821 2.985 1.00 70.34 H new ATOM 0 HD11 ILE A 14 -8.004 6.941 1.271 1.00 12.03 H new ATOM 0 HD12 ILE A 14 -8.566 8.153 2.446 1.00 12.03 H new ATOM 0 HD13 ILE A 14 -7.126 8.478 1.453 1.00 12.03 H new ATOM 225 N GLU A 15 -5.782 8.744 7.147 1.00 3.41 N ATOM 226 CA GLU A 15 -5.479 9.728 8.206 1.00 25.31 C ATOM 227 C GLU A 15 -4.590 9.131 9.321 1.00 12.24 C ATOM 228 O GLU A 15 -3.854 9.860 9.971 1.00 61.31 O ATOM 229 CB GLU A 15 -6.803 10.248 8.809 1.00 73.11 C ATOM 230 CG GLU A 15 -7.777 10.849 7.779 1.00 11.04 C ATOM 231 CD GLU A 15 -9.151 11.177 8.379 1.00 42.11 C ATOM 232 OE1 GLU A 15 -9.456 12.365 8.599 1.00 65.45 O ATOM 233 OE2 GLU A 15 -9.922 10.229 8.651 1.00 21.53 O ATOM 0 H GLU A 15 -6.749 8.419 7.163 1.00 3.41 H new ATOM 0 HA GLU A 15 -4.921 10.548 7.754 1.00 25.31 H new ATOM 0 HB2 GLU A 15 -7.300 9.427 9.325 1.00 73.11 H new ATOM 0 HB3 GLU A 15 -6.574 11.005 9.559 1.00 73.11 H new ATOM 0 HG2 GLU A 15 -7.342 11.757 7.362 1.00 11.04 H new ATOM 0 HG3 GLU A 15 -7.904 10.148 6.954 1.00 11.04 H new ATOM 240 N GLU A 16 -4.673 7.810 9.524 1.00 12.35 N ATOM 241 CA GLU A 16 -3.913 7.097 10.574 1.00 63.20 C ATOM 242 C GLU A 16 -2.437 6.960 10.184 1.00 11.20 C ATOM 243 O GLU A 16 -1.538 7.175 11.006 1.00 75.30 O ATOM 244 CB GLU A 16 -4.545 5.699 10.833 1.00 71.34 C ATOM 245 CG GLU A 16 -5.865 5.729 11.632 1.00 35.31 C ATOM 246 CD GLU A 16 -5.692 6.114 13.118 1.00 14.13 C ATOM 247 OE1 GLU A 16 -5.579 5.205 13.967 1.00 4.03 O ATOM 248 OE2 GLU A 16 -5.669 7.323 13.445 1.00 61.44 O ATOM 0 H GLU A 16 -5.269 7.198 8.966 1.00 12.35 H new ATOM 0 HA GLU A 16 -3.963 7.680 11.494 1.00 63.20 H new ATOM 0 HB2 GLU A 16 -4.727 5.214 9.874 1.00 71.34 H new ATOM 0 HB3 GLU A 16 -3.824 5.083 11.370 1.00 71.34 H new ATOM 0 HG2 GLU A 16 -6.547 6.437 11.161 1.00 35.31 H new ATOM 0 HG3 GLU A 16 -6.335 4.747 11.574 1.00 35.31 H new ATOM 255 N VAL A 17 -2.211 6.597 8.922 1.00 63.01 N ATOM 256 CA VAL A 17 -0.868 6.458 8.349 1.00 71.03 C ATOM 257 C VAL A 17 -0.256 7.843 8.069 1.00 61.44 C ATOM 258 O VAL A 17 0.955 8.021 8.178 1.00 20.23 O ATOM 259 CB VAL A 17 -0.926 5.589 7.043 1.00 3.32 C ATOM 260 CG1 VAL A 17 0.447 5.491 6.348 1.00 43.51 C ATOM 261 CG2 VAL A 17 -1.498 4.183 7.354 1.00 20.01 C ATOM 0 H VAL A 17 -2.960 6.389 8.261 1.00 63.01 H new ATOM 0 HA VAL A 17 -0.227 5.949 9.069 1.00 71.03 H new ATOM 0 HB VAL A 17 -1.596 6.090 6.344 1.00 3.32 H new ATOM 0 HG11 VAL A 17 0.357 4.880 5.450 1.00 43.51 H new ATOM 0 HG12 VAL A 17 0.789 6.489 6.075 1.00 43.51 H new ATOM 0 HG13 VAL A 17 1.167 5.034 7.027 1.00 43.51 H new ATOM 0 HG21 VAL A 17 -1.532 3.593 6.438 1.00 20.01 H new ATOM 0 HG22 VAL A 17 -0.860 3.684 8.084 1.00 20.01 H new ATOM 0 HG23 VAL A 17 -2.505 4.281 7.759 1.00 20.01 H new ATOM 271 N SER A 18 -1.114 8.816 7.706 1.00 74.30 N ATOM 272 CA SER A 18 -0.701 10.215 7.489 1.00 4.41 C ATOM 273 C SER A 18 -0.286 10.874 8.820 1.00 23.11 C ATOM 274 O SER A 18 0.728 11.583 8.883 1.00 24.12 O ATOM 275 CB SER A 18 -1.846 11.006 6.828 1.00 51.54 C ATOM 276 OG SER A 18 -1.432 12.296 6.415 1.00 32.43 O ATOM 0 H SER A 18 -2.110 8.654 7.555 1.00 74.30 H new ATOM 0 HA SER A 18 0.162 10.224 6.824 1.00 4.41 H new ATOM 0 HB2 SER A 18 -2.219 10.452 5.966 1.00 51.54 H new ATOM 0 HB3 SER A 18 -2.675 11.099 7.530 1.00 51.54 H new ATOM 0 HG SER A 18 -1.367 12.321 5.437 1.00 32.43 H new ATOM 282 N LYS A 19 -1.074 10.614 9.880 1.00 35.43 N ATOM 283 CA LYS A 19 -0.768 11.089 11.240 1.00 23.25 C ATOM 284 C LYS A 19 0.583 10.513 11.690 1.00 34.15 C ATOM 285 O LYS A 19 1.454 11.250 12.147 1.00 35.20 O ATOM 286 CB LYS A 19 -1.890 10.694 12.252 1.00 53.43 C ATOM 287 CG LYS A 19 -1.704 11.168 13.726 1.00 43.43 C ATOM 288 CD LYS A 19 -1.982 12.680 13.979 1.00 14.03 C ATOM 289 CE LYS A 19 -0.866 13.625 13.503 1.00 73.23 C ATOM 290 NZ LYS A 19 -1.203 15.055 13.757 1.00 42.21 N ATOM 0 H LYS A 19 -1.936 10.072 9.817 1.00 35.43 H new ATOM 0 HA LYS A 19 -0.715 12.178 11.220 1.00 23.25 H new ATOM 0 HB2 LYS A 19 -2.836 11.092 11.884 1.00 53.43 H new ATOM 0 HB3 LYS A 19 -1.980 9.608 12.253 1.00 53.43 H new ATOM 0 HG2 LYS A 19 -2.365 10.582 14.365 1.00 43.43 H new ATOM 0 HG3 LYS A 19 -0.683 10.946 14.035 1.00 43.43 H new ATOM 0 HD2 LYS A 19 -2.910 12.954 13.478 1.00 14.03 H new ATOM 0 HD3 LYS A 19 -2.139 12.833 15.047 1.00 14.03 H new ATOM 0 HE2 LYS A 19 0.064 13.375 14.014 1.00 73.23 H new ATOM 0 HE3 LYS A 19 -0.694 13.476 12.437 1.00 73.23 H new ATOM 0 HZ1 LYS A 19 -0.370 15.647 13.565 1.00 42.21 H new ATOM 0 HZ2 LYS A 19 -1.984 15.344 13.134 1.00 42.21 H new ATOM 0 HZ3 LYS A 19 -1.490 15.173 14.750 1.00 42.21 H new ATOM 304 N LYS A 20 0.756 9.197 11.474 1.00 71.32 N ATOM 305 CA LYS A 20 1.992 8.481 11.819 1.00 44.31 C ATOM 306 C LYS A 20 3.177 8.933 10.942 1.00 4.22 C ATOM 307 O LYS A 20 4.329 8.910 11.388 1.00 42.14 O ATOM 308 CB LYS A 20 1.763 6.950 11.728 1.00 22.33 C ATOM 309 CG LYS A 20 3.016 6.096 12.042 1.00 65.40 C ATOM 310 CD LYS A 20 2.695 4.639 12.433 1.00 30.13 C ATOM 311 CE LYS A 20 1.980 4.521 13.791 1.00 41.53 C ATOM 312 NZ LYS A 20 1.979 3.114 14.295 1.00 60.01 N ATOM 0 H LYS A 20 0.041 8.602 11.055 1.00 71.32 H new ATOM 0 HA LYS A 20 2.255 8.728 12.848 1.00 44.31 H new ATOM 0 HB2 LYS A 20 0.967 6.672 12.419 1.00 22.33 H new ATOM 0 HB3 LYS A 20 1.414 6.706 10.725 1.00 22.33 H new ATOM 0 HG2 LYS A 20 3.670 6.093 11.170 1.00 65.40 H new ATOM 0 HG3 LYS A 20 3.571 6.566 12.854 1.00 65.40 H new ATOM 0 HD2 LYS A 20 2.070 4.191 11.660 1.00 30.13 H new ATOM 0 HD3 LYS A 20 3.621 4.066 12.466 1.00 30.13 H new ATOM 0 HE2 LYS A 20 2.471 5.168 14.518 1.00 41.53 H new ATOM 0 HE3 LYS A 20 0.953 4.873 13.693 1.00 41.53 H new ATOM 0 HZ1 LYS A 20 1.323 3.033 15.098 1.00 60.01 H new ATOM 0 HZ2 LYS A 20 1.676 2.473 13.534 1.00 60.01 H new ATOM 0 HZ3 LYS A 20 2.938 2.855 14.604 1.00 60.01 H new ATOM 326 N ALA A 21 2.885 9.371 9.704 1.00 14.13 N ATOM 327 CA ALA A 21 3.903 9.943 8.807 1.00 74.11 C ATOM 328 C ALA A 21 4.492 11.224 9.419 1.00 61.55 C ATOM 329 O ALA A 21 5.704 11.409 9.421 1.00 32.23 O ATOM 330 CB ALA A 21 3.324 10.216 7.411 1.00 61.32 C ATOM 0 H ALA A 21 1.948 9.339 9.302 1.00 14.13 H new ATOM 0 HA ALA A 21 4.705 9.214 8.692 1.00 74.11 H new ATOM 0 HB1 ALA A 21 4.099 10.638 6.772 1.00 61.32 H new ATOM 0 HB2 ALA A 21 2.964 9.283 6.977 1.00 61.32 H new ATOM 0 HB3 ALA A 21 2.497 10.921 7.492 1.00 61.32 H new ATOM 336 N GLU A 22 3.612 12.071 9.986 1.00 4.15 N ATOM 337 CA GLU A 22 4.018 13.316 10.665 1.00 44.41 C ATOM 338 C GLU A 22 4.805 13.016 11.963 1.00 73.21 C ATOM 339 O GLU A 22 5.899 13.561 12.171 1.00 74.42 O ATOM 340 CB GLU A 22 2.773 14.192 10.974 1.00 34.13 C ATOM 341 CG GLU A 22 3.093 15.528 11.681 1.00 10.23 C ATOM 342 CD GLU A 22 1.851 16.388 11.943 1.00 2.13 C ATOM 343 OE1 GLU A 22 1.388 17.083 11.011 1.00 45.43 O ATOM 344 OE2 GLU A 22 1.329 16.366 13.075 1.00 31.14 O ATOM 0 H GLU A 22 2.604 11.913 9.986 1.00 4.15 H new ATOM 0 HA GLU A 22 4.678 13.866 9.994 1.00 44.41 H new ATOM 0 HB2 GLU A 22 2.252 14.405 10.040 1.00 34.13 H new ATOM 0 HB3 GLU A 22 2.087 13.620 11.598 1.00 34.13 H new ATOM 0 HG2 GLU A 22 3.589 15.320 12.629 1.00 10.23 H new ATOM 0 HG3 GLU A 22 3.797 16.094 11.071 1.00 10.23 H new ATOM 351 N GLU A 23 4.232 12.133 12.808 1.00 2.31 N ATOM 352 CA GLU A 23 4.788 11.754 14.130 1.00 60.51 C ATOM 353 C GLU A 23 6.223 11.208 14.018 1.00 24.24 C ATOM 354 O GLU A 23 7.121 11.638 14.758 1.00 75.11 O ATOM 355 CB GLU A 23 3.867 10.703 14.815 1.00 61.42 C ATOM 356 CG GLU A 23 2.434 11.210 15.116 1.00 64.21 C ATOM 357 CD GLU A 23 1.457 10.109 15.581 1.00 33.22 C ATOM 358 OE1 GLU A 23 1.569 8.957 15.115 1.00 44.05 O ATOM 359 OE2 GLU A 23 0.542 10.401 16.384 1.00 72.52 O ATOM 0 H GLU A 23 3.358 11.655 12.591 1.00 2.31 H new ATOM 0 HA GLU A 23 4.828 12.656 14.740 1.00 60.51 H new ATOM 0 HB2 GLU A 23 3.801 9.823 14.175 1.00 61.42 H new ATOM 0 HB3 GLU A 23 4.331 10.385 15.749 1.00 61.42 H new ATOM 0 HG2 GLU A 23 2.488 11.981 15.885 1.00 64.21 H new ATOM 0 HG3 GLU A 23 2.032 11.682 14.219 1.00 64.21 H new ATOM 366 N GLU A 24 6.428 10.273 13.079 1.00 54.32 N ATOM 367 CA GLU A 24 7.749 9.657 12.841 1.00 2.30 C ATOM 368 C GLU A 24 8.638 10.560 11.964 1.00 73.11 C ATOM 369 O GLU A 24 9.863 10.413 11.963 1.00 72.44 O ATOM 370 CB GLU A 24 7.573 8.278 12.168 1.00 3.53 C ATOM 371 CG GLU A 24 6.723 7.260 12.959 1.00 15.15 C ATOM 372 CD GLU A 24 7.340 6.858 14.307 1.00 51.40 C ATOM 373 OE1 GLU A 24 6.927 7.403 15.357 1.00 1.44 O ATOM 374 OE2 GLU A 24 8.245 5.995 14.323 1.00 74.13 O ATOM 0 H GLU A 24 5.692 9.922 12.466 1.00 54.32 H new ATOM 0 HA GLU A 24 8.242 9.531 13.805 1.00 2.30 H new ATOM 0 HB2 GLU A 24 7.116 8.426 11.190 1.00 3.53 H new ATOM 0 HB3 GLU A 24 8.560 7.847 11.997 1.00 3.53 H new ATOM 0 HG2 GLU A 24 5.734 7.683 13.134 1.00 15.15 H new ATOM 0 HG3 GLU A 24 6.584 6.366 12.352 1.00 15.15 H new ATOM 381 N GLY A 25 8.003 11.492 11.228 1.00 45.31 N ATOM 382 CA GLY A 25 8.713 12.400 10.319 1.00 2.32 C ATOM 383 C GLY A 25 8.846 11.850 8.905 1.00 64.34 C ATOM 384 O GLY A 25 9.495 12.475 8.068 1.00 60.12 O ATOM 0 H GLY A 25 6.993 11.633 11.249 1.00 45.31 H new ATOM 0 HA2 GLY A 25 8.186 13.353 10.283 1.00 2.32 H new ATOM 0 HA3 GLY A 25 9.707 12.600 10.719 1.00 2.32 H new ATOM 388 N TYR A 26 8.197 10.693 8.639 1.00 33.12 N ATOM 389 CA TYR A 26 8.228 10.025 7.326 1.00 4.41 C ATOM 390 C TYR A 26 7.525 10.899 6.266 1.00 2.40 C ATOM 391 O TYR A 26 6.383 11.337 6.485 1.00 3.10 O ATOM 392 CB TYR A 26 7.481 8.664 7.369 1.00 74.45 C ATOM 393 CG TYR A 26 8.027 7.551 8.278 1.00 65.01 C ATOM 394 CD1 TYR A 26 9.396 7.299 8.416 1.00 35.41 C ATOM 395 CD2 TYR A 26 7.143 6.689 8.940 1.00 70.31 C ATOM 396 CE1 TYR A 26 9.854 6.237 9.184 1.00 21.11 C ATOM 397 CE2 TYR A 26 7.600 5.636 9.715 1.00 20.55 C ATOM 398 CZ TYR A 26 8.953 5.412 9.831 1.00 34.01 C ATOM 399 OH TYR A 26 9.406 4.355 10.592 1.00 64.23 O ATOM 0 H TYR A 26 7.637 10.199 9.334 1.00 33.12 H new ATOM 0 HA TYR A 26 9.276 9.868 7.072 1.00 4.41 H new ATOM 0 HB2 TYR A 26 6.452 8.861 7.669 1.00 74.45 H new ATOM 0 HB3 TYR A 26 7.447 8.273 6.352 1.00 74.45 H new ATOM 0 HD1 TYR A 26 10.108 7.940 7.917 1.00 35.41 H new ATOM 0 HD2 TYR A 26 6.079 6.849 8.844 1.00 70.31 H new ATOM 0 HE1 TYR A 26 10.915 6.055 9.276 1.00 21.11 H new ATOM 0 HE2 TYR A 26 6.898 4.994 10.226 1.00 20.55 H new ATOM 0 HH TYR A 26 8.642 3.878 10.978 1.00 64.23 H new ATOM 409 N ASP A 27 8.184 11.146 5.125 1.00 1.14 N ATOM 410 CA ASP A 27 7.526 11.753 3.957 1.00 71.31 C ATOM 411 C ASP A 27 6.722 10.659 3.225 1.00 14.01 C ATOM 412 O ASP A 27 7.265 9.946 2.377 1.00 21.12 O ATOM 413 CB ASP A 27 8.553 12.426 2.991 1.00 61.21 C ATOM 414 CG ASP A 27 9.336 13.600 3.620 1.00 71.42 C ATOM 415 OD1 ASP A 27 8.697 14.545 4.136 1.00 4.20 O ATOM 416 OD2 ASP A 27 10.589 13.612 3.546 1.00 72.51 O ATOM 0 H ASP A 27 9.172 10.935 4.985 1.00 1.14 H new ATOM 0 HA ASP A 27 6.859 12.544 4.299 1.00 71.31 H new ATOM 0 HB2 ASP A 27 9.262 11.672 2.650 1.00 61.21 H new ATOM 0 HB3 ASP A 27 8.023 12.788 2.110 1.00 61.21 H new ATOM 421 N ILE A 28 5.447 10.476 3.621 1.00 62.13 N ATOM 422 CA ILE A 28 4.530 9.511 2.972 1.00 1.43 C ATOM 423 C ILE A 28 3.364 10.277 2.332 1.00 43.33 C ATOM 424 O ILE A 28 2.594 10.931 3.043 1.00 73.45 O ATOM 425 CB ILE A 28 3.929 8.456 3.981 1.00 13.20 C ATOM 426 CG1 ILE A 28 5.026 7.785 4.851 1.00 41.40 C ATOM 427 CG2 ILE A 28 3.128 7.380 3.217 1.00 51.54 C ATOM 428 CD1 ILE A 28 4.484 6.855 5.930 1.00 33.43 C ATOM 0 H ILE A 28 5.023 10.988 4.395 1.00 62.13 H new ATOM 0 HA ILE A 28 5.116 8.969 2.230 1.00 1.43 H new ATOM 0 HB ILE A 28 3.263 8.996 4.653 1.00 13.20 H new ATOM 0 HG12 ILE A 28 5.694 7.219 4.201 1.00 41.40 H new ATOM 0 HG13 ILE A 28 5.625 8.563 5.325 1.00 41.40 H new ATOM 0 HG21 ILE A 28 2.719 6.659 3.925 1.00 51.54 H new ATOM 0 HG22 ILE A 28 2.313 7.853 2.670 1.00 51.54 H new ATOM 0 HG23 ILE A 28 3.786 6.867 2.516 1.00 51.54 H new ATOM 0 HD11 ILE A 28 5.314 6.427 6.492 1.00 33.43 H new ATOM 0 HD12 ILE A 28 3.840 7.418 6.605 1.00 33.43 H new ATOM 0 HD13 ILE A 28 3.910 6.054 5.465 1.00 33.43 H new ATOM 440 N GLN A 29 3.240 10.201 0.999 1.00 31.10 N ATOM 441 CA GLN A 29 2.100 10.777 0.274 1.00 12.04 C ATOM 442 C GLN A 29 0.882 9.859 0.460 1.00 62.13 C ATOM 443 O GLN A 29 0.824 8.772 -0.111 1.00 12.23 O ATOM 444 CB GLN A 29 2.462 10.939 -1.228 1.00 42.35 C ATOM 445 CG GLN A 29 1.308 11.369 -2.160 1.00 13.22 C ATOM 446 CD GLN A 29 0.671 12.721 -1.811 1.00 43.35 C ATOM 447 OE1 GLN A 29 -0.276 12.789 -1.032 1.00 62.24 O ATOM 448 NE2 GLN A 29 1.177 13.799 -2.391 1.00 54.02 N ATOM 0 H GLN A 29 3.923 9.741 0.397 1.00 31.10 H new ATOM 0 HA GLN A 29 1.858 11.765 0.667 1.00 12.04 H new ATOM 0 HB2 GLN A 29 3.263 11.674 -1.311 1.00 42.35 H new ATOM 0 HB3 GLN A 29 2.861 9.991 -1.590 1.00 42.35 H new ATOM 0 HG2 GLN A 29 1.682 11.412 -3.183 1.00 13.22 H new ATOM 0 HG3 GLN A 29 0.535 10.601 -2.136 1.00 13.22 H new ATOM 0 HE21 GLN A 29 1.964 13.710 -3.034 1.00 54.02 H new ATOM 0 HE22 GLN A 29 0.780 14.718 -2.195 1.00 54.02 H new ATOM 457 N THR A 30 -0.082 10.314 1.264 1.00 11.25 N ATOM 458 CA THR A 30 -1.305 9.557 1.565 1.00 41.15 C ATOM 459 C THR A 30 -2.440 10.036 0.657 1.00 32.15 C ATOM 460 O THR A 30 -2.744 11.233 0.618 1.00 63.12 O ATOM 461 CB THR A 30 -1.698 9.698 3.074 1.00 5.05 C ATOM 462 OG1 THR A 30 -1.579 11.072 3.495 1.00 43.33 O ATOM 463 CG2 THR A 30 -0.833 8.798 3.972 1.00 62.21 C ATOM 0 H THR A 30 -0.038 11.221 1.728 1.00 11.25 H new ATOM 0 HA THR A 30 -1.120 8.500 1.374 1.00 41.15 H new ATOM 0 HB THR A 30 -2.735 9.377 3.176 1.00 5.05 H new ATOM 0 HG1 THR A 30 -1.858 11.663 2.765 1.00 43.33 H new ATOM 0 HG21 THR A 30 -1.135 8.923 5.012 1.00 62.21 H new ATOM 0 HG22 THR A 30 -0.965 7.757 3.679 1.00 62.21 H new ATOM 0 HG23 THR A 30 0.215 9.075 3.863 1.00 62.21 H new ATOM 471 N SER A 31 -3.076 9.087 -0.044 1.00 23.23 N ATOM 472 CA SER A 31 -3.996 9.385 -1.149 1.00 33.34 C ATOM 473 C SER A 31 -5.112 8.327 -1.243 1.00 43.12 C ATOM 474 O SER A 31 -4.978 7.213 -0.725 1.00 11.51 O ATOM 475 CB SER A 31 -3.187 9.439 -2.471 1.00 34.31 C ATOM 476 OG SER A 31 -3.999 9.783 -3.583 1.00 64.44 O ATOM 0 H SER A 31 -2.966 8.090 0.140 1.00 23.23 H new ATOM 0 HA SER A 31 -4.473 10.348 -0.968 1.00 33.34 H new ATOM 0 HB2 SER A 31 -2.382 10.167 -2.373 1.00 34.31 H new ATOM 0 HB3 SER A 31 -2.721 8.470 -2.650 1.00 34.31 H new ATOM 0 HG SER A 31 -3.450 9.807 -4.394 1.00 64.44 H new ATOM 482 N ASN A 32 -6.216 8.710 -1.901 1.00 11.14 N ATOM 483 CA ASN A 32 -7.318 7.798 -2.289 1.00 4.42 C ATOM 484 C ASN A 32 -7.383 7.712 -3.828 1.00 3.21 C ATOM 485 O ASN A 32 -8.079 6.860 -4.393 1.00 25.42 O ATOM 486 CB ASN A 32 -8.662 8.306 -1.689 1.00 22.23 C ATOM 487 CG ASN A 32 -9.905 7.453 -2.010 1.00 65.14 C ATOM 488 OD1 ASN A 32 -11.005 7.980 -2.145 1.00 64.45 O ATOM 489 ND2 ASN A 32 -9.749 6.137 -2.109 1.00 42.52 N ATOM 0 H ASN A 32 -6.377 9.676 -2.186 1.00 11.14 H new ATOM 0 HA ASN A 32 -7.136 6.799 -1.894 1.00 4.42 H new ATOM 0 HB2 ASN A 32 -8.555 8.365 -0.606 1.00 22.23 H new ATOM 0 HB3 ASN A 32 -8.838 9.320 -2.048 1.00 22.23 H new ATOM 0 HD21 ASN A 32 -10.554 5.541 -2.301 1.00 42.52 H new ATOM 0 HD22 ASN A 32 -8.824 5.723 -1.993 1.00 42.52 H new ATOM 496 N ASP A 33 -6.604 8.588 -4.493 1.00 32.34 N ATOM 497 CA ASP A 33 -6.579 8.709 -5.954 1.00 63.11 C ATOM 498 C ASP A 33 -5.760 7.561 -6.563 1.00 14.23 C ATOM 499 O ASP A 33 -4.605 7.753 -6.958 1.00 72.20 O ATOM 500 CB ASP A 33 -5.995 10.088 -6.370 1.00 41.42 C ATOM 501 CG ASP A 33 -6.762 11.261 -5.754 1.00 74.03 C ATOM 502 OD1 ASP A 33 -7.764 11.711 -6.351 1.00 13.30 O ATOM 503 OD2 ASP A 33 -6.375 11.728 -4.662 1.00 4.21 O ATOM 0 H ASP A 33 -5.971 9.234 -4.022 1.00 32.34 H new ATOM 0 HA ASP A 33 -7.599 8.643 -6.334 1.00 63.11 H new ATOM 0 HB2 ASP A 33 -4.950 10.142 -6.066 1.00 41.42 H new ATOM 0 HB3 ASP A 33 -6.016 10.175 -7.456 1.00 41.42 H new ATOM 508 N LYS A 34 -6.384 6.368 -6.626 1.00 64.40 N ATOM 509 CA LYS A 34 -5.749 5.139 -7.132 1.00 34.50 C ATOM 510 C LYS A 34 -5.308 5.340 -8.595 1.00 51.24 C ATOM 511 O LYS A 34 -4.238 4.893 -8.983 1.00 62.13 O ATOM 512 CB LYS A 34 -6.724 3.927 -7.006 1.00 52.24 C ATOM 513 CG LYS A 34 -7.958 4.030 -7.925 1.00 24.05 C ATOM 514 CD LYS A 34 -8.942 2.842 -7.845 1.00 2.30 C ATOM 515 CE LYS A 34 -9.570 2.635 -6.461 1.00 61.23 C ATOM 516 NZ LYS A 34 -10.577 1.528 -6.483 1.00 60.15 N ATOM 0 H LYS A 34 -7.349 6.231 -6.325 1.00 64.40 H new ATOM 0 HA LYS A 34 -4.866 4.923 -6.530 1.00 34.50 H new ATOM 0 HB2 LYS A 34 -6.183 3.010 -7.240 1.00 52.24 H new ATOM 0 HB3 LYS A 34 -7.057 3.846 -5.971 1.00 52.24 H new ATOM 0 HG2 LYS A 34 -8.498 4.945 -7.680 1.00 24.05 H new ATOM 0 HG3 LYS A 34 -7.616 4.128 -8.955 1.00 24.05 H new ATOM 0 HD2 LYS A 34 -9.738 2.995 -8.573 1.00 2.30 H new ATOM 0 HD3 LYS A 34 -8.418 1.931 -8.133 1.00 2.30 H new ATOM 0 HE2 LYS A 34 -8.790 2.406 -5.735 1.00 61.23 H new ATOM 0 HE3 LYS A 34 -10.048 3.558 -6.134 1.00 61.23 H new ATOM 0 HZ1 LYS A 34 -11.500 1.892 -6.171 1.00 60.15 H new ATOM 0 HZ2 LYS A 34 -10.661 1.154 -7.450 1.00 60.15 H new ATOM 0 HZ3 LYS A 34 -10.271 0.768 -5.843 1.00 60.15 H new ATOM 530 N LYS A 35 -6.132 6.096 -9.358 1.00 50.25 N ATOM 531 CA LYS A 35 -5.908 6.374 -10.785 1.00 63.54 C ATOM 532 C LYS A 35 -4.635 7.205 -10.989 1.00 50.35 C ATOM 533 O LYS A 35 -3.825 6.904 -11.880 1.00 34.52 O ATOM 534 CB LYS A 35 -7.132 7.108 -11.389 1.00 33.51 C ATOM 535 CG LYS A 35 -8.440 6.293 -11.341 1.00 43.23 C ATOM 536 CD LYS A 35 -9.640 7.038 -11.973 1.00 45.52 C ATOM 537 CE LYS A 35 -10.040 8.311 -11.206 1.00 72.32 C ATOM 538 NZ LYS A 35 -11.237 8.973 -11.804 1.00 61.02 N ATOM 0 H LYS A 35 -6.978 6.532 -8.991 1.00 50.25 H new ATOM 0 HA LYS A 35 -5.779 5.422 -11.300 1.00 63.54 H new ATOM 0 HB2 LYS A 35 -7.281 8.046 -10.854 1.00 33.51 H new ATOM 0 HB3 LYS A 35 -6.914 7.364 -12.426 1.00 33.51 H new ATOM 0 HG2 LYS A 35 -8.292 5.347 -11.862 1.00 43.23 H new ATOM 0 HG3 LYS A 35 -8.674 6.053 -10.304 1.00 43.23 H new ATOM 0 HD2 LYS A 35 -9.393 7.304 -13.001 1.00 45.52 H new ATOM 0 HD3 LYS A 35 -10.496 6.364 -12.015 1.00 45.52 H new ATOM 0 HE2 LYS A 35 -10.248 8.057 -10.166 1.00 72.32 H new ATOM 0 HE3 LYS A 35 -9.203 9.010 -11.203 1.00 72.32 H new ATOM 0 HZ1 LYS A 35 -11.472 9.826 -11.257 1.00 61.02 H new ATOM 0 HZ2 LYS A 35 -11.031 9.239 -12.788 1.00 61.02 H new ATOM 0 HZ3 LYS A 35 -12.043 8.316 -11.784 1.00 61.02 H new ATOM 552 N GLU A 36 -4.463 8.242 -10.141 1.00 13.25 N ATOM 553 CA GLU A 36 -3.274 9.112 -10.174 1.00 12.22 C ATOM 554 C GLU A 36 -2.022 8.292 -9.839 1.00 22.30 C ATOM 555 O GLU A 36 -1.014 8.383 -10.525 1.00 4.25 O ATOM 556 CB GLU A 36 -3.394 10.288 -9.164 1.00 53.24 C ATOM 557 CG GLU A 36 -2.219 11.299 -9.231 1.00 60.23 C ATOM 558 CD GLU A 36 -2.158 12.256 -8.032 1.00 2.24 C ATOM 559 OE1 GLU A 36 -1.394 11.989 -7.088 1.00 25.34 O ATOM 560 OE2 GLU A 36 -2.869 13.276 -8.031 1.00 52.34 O ATOM 0 H GLU A 36 -5.140 8.496 -9.421 1.00 13.25 H new ATOM 0 HA GLU A 36 -3.198 9.528 -11.179 1.00 12.22 H new ATOM 0 HB2 GLU A 36 -4.328 10.819 -9.349 1.00 53.24 H new ATOM 0 HB3 GLU A 36 -3.453 9.882 -8.154 1.00 53.24 H new ATOM 0 HG2 GLU A 36 -1.281 10.748 -9.293 1.00 60.23 H new ATOM 0 HG3 GLU A 36 -2.306 11.884 -10.147 1.00 60.23 H new ATOM 567 N ILE A 37 -2.134 7.458 -8.795 1.00 41.11 N ATOM 568 CA ILE A 37 -1.014 6.658 -8.281 1.00 12.21 C ATOM 569 C ILE A 37 -0.533 5.629 -9.332 1.00 15.44 C ATOM 570 O ILE A 37 0.672 5.477 -9.534 1.00 60.11 O ATOM 571 CB ILE A 37 -1.401 5.954 -6.926 1.00 44.44 C ATOM 572 CG1 ILE A 37 -1.771 7.011 -5.830 1.00 42.23 C ATOM 573 CG2 ILE A 37 -0.280 5.030 -6.431 1.00 34.02 C ATOM 574 CD1 ILE A 37 -0.726 8.098 -5.591 1.00 41.21 C ATOM 0 H ILE A 37 -3.005 7.319 -8.283 1.00 41.11 H new ATOM 0 HA ILE A 37 -0.183 7.334 -8.080 1.00 12.21 H new ATOM 0 HB ILE A 37 -2.279 5.338 -7.118 1.00 44.44 H new ATOM 0 HG12 ILE A 37 -2.710 7.488 -6.112 1.00 42.23 H new ATOM 0 HG13 ILE A 37 -1.949 6.488 -4.890 1.00 42.23 H new ATOM 0 HG21 ILE A 37 -0.582 4.561 -5.494 1.00 34.02 H new ATOM 0 HG22 ILE A 37 -0.088 4.259 -7.177 1.00 34.02 H new ATOM 0 HG23 ILE A 37 0.627 5.613 -6.270 1.00 34.02 H new ATOM 0 HD11 ILE A 37 -1.079 8.777 -4.815 1.00 41.21 H new ATOM 0 HD12 ILE A 37 0.210 7.639 -5.273 1.00 41.21 H new ATOM 0 HD13 ILE A 37 -0.562 8.655 -6.514 1.00 41.21 H new ATOM 586 N ILE A 38 -1.494 4.982 -10.028 1.00 52.14 N ATOM 587 CA ILE A 38 -1.213 4.045 -11.147 1.00 43.21 C ATOM 588 C ILE A 38 -0.415 4.762 -12.261 1.00 61.13 C ATOM 589 O ILE A 38 0.548 4.209 -12.805 1.00 35.21 O ATOM 590 CB ILE A 38 -2.564 3.443 -11.723 1.00 52.21 C ATOM 591 CG1 ILE A 38 -3.233 2.509 -10.666 1.00 74.53 C ATOM 592 CG2 ILE A 38 -2.367 2.700 -13.074 1.00 32.32 C ATOM 593 CD1 ILE A 38 -4.610 1.994 -11.041 1.00 3.41 C ATOM 0 H ILE A 38 -2.489 5.093 -9.832 1.00 52.14 H new ATOM 0 HA ILE A 38 -0.609 3.221 -10.766 1.00 43.21 H new ATOM 0 HB ILE A 38 -3.227 4.284 -11.929 1.00 52.21 H new ATOM 0 HG12 ILE A 38 -2.578 1.655 -10.492 1.00 74.53 H new ATOM 0 HG13 ILE A 38 -3.309 3.050 -9.723 1.00 74.53 H new ATOM 0 HG21 ILE A 38 -3.325 2.310 -13.418 1.00 32.32 H new ATOM 0 HG22 ILE A 38 -1.970 3.393 -13.816 1.00 32.32 H new ATOM 0 HG23 ILE A 38 -1.668 1.875 -12.937 1.00 32.32 H new ATOM 0 HD11 ILE A 38 -4.989 1.355 -10.243 1.00 3.41 H new ATOM 0 HD12 ILE A 38 -5.287 2.836 -11.184 1.00 3.41 H new ATOM 0 HD13 ILE A 38 -4.545 1.420 -11.965 1.00 3.41 H new ATOM 605 N ASP A 39 -0.808 6.022 -12.527 1.00 41.24 N ATOM 606 CA ASP A 39 -0.185 6.895 -13.545 1.00 13.34 C ATOM 607 C ASP A 39 1.272 7.248 -13.163 1.00 13.34 C ATOM 608 O ASP A 39 2.162 7.246 -14.018 1.00 25.41 O ATOM 609 CB ASP A 39 -1.049 8.181 -13.712 1.00 40.32 C ATOM 610 CG ASP A 39 -0.472 9.208 -14.706 1.00 72.24 C ATOM 611 OD1 ASP A 39 -0.720 9.084 -15.926 1.00 41.54 O ATOM 612 OD2 ASP A 39 0.225 10.147 -14.276 1.00 42.41 O ATOM 0 H ASP A 39 -1.580 6.471 -12.034 1.00 41.24 H new ATOM 0 HA ASP A 39 -0.146 6.363 -14.496 1.00 13.34 H new ATOM 0 HB2 ASP A 39 -2.047 7.894 -14.043 1.00 40.32 H new ATOM 0 HB3 ASP A 39 -1.161 8.658 -12.738 1.00 40.32 H new ATOM 617 N ARG A 40 1.503 7.516 -11.867 1.00 3.44 N ATOM 618 CA ARG A 40 2.842 7.882 -11.337 1.00 61.33 C ATOM 619 C ARG A 40 3.769 6.650 -11.301 1.00 42.14 C ATOM 620 O ARG A 40 4.997 6.773 -11.409 1.00 24.33 O ATOM 621 CB ARG A 40 2.704 8.509 -9.923 1.00 2.30 C ATOM 622 CG ARG A 40 1.723 9.696 -9.867 1.00 73.33 C ATOM 623 CD ARG A 40 1.479 10.243 -8.446 1.00 61.31 C ATOM 624 NE ARG A 40 2.668 10.906 -7.883 1.00 43.12 N ATOM 625 CZ ARG A 40 2.652 11.946 -7.031 1.00 52.11 C ATOM 626 NH1 ARG A 40 1.502 12.487 -6.608 1.00 33.41 N ATOM 627 NH2 ARG A 40 3.803 12.456 -6.621 1.00 32.14 N ATOM 0 H ARG A 40 0.775 7.487 -11.154 1.00 3.44 H new ATOM 0 HA ARG A 40 3.290 8.621 -12.002 1.00 61.33 H new ATOM 0 HB2 ARG A 40 2.372 7.741 -9.225 1.00 2.30 H new ATOM 0 HB3 ARG A 40 3.685 8.843 -9.586 1.00 2.30 H new ATOM 0 HG2 ARG A 40 2.107 10.501 -10.494 1.00 73.33 H new ATOM 0 HG3 ARG A 40 0.769 9.386 -10.294 1.00 73.33 H new ATOM 0 HD2 ARG A 40 0.650 10.951 -8.470 1.00 61.31 H new ATOM 0 HD3 ARG A 40 1.180 9.424 -7.792 1.00 61.31 H new ATOM 0 HE ARG A 40 3.580 10.546 -8.163 1.00 43.12 H new ATOM 0 HH11 ARG A 40 0.611 12.110 -6.932 1.00 33.41 H new ATOM 0 HH12 ARG A 40 1.517 13.276 -5.961 1.00 33.41 H new ATOM 0 HH21 ARG A 40 4.683 12.060 -6.951 1.00 32.14 H new ATOM 0 HH22 ARG A 40 3.810 13.245 -5.975 1.00 32.14 H new ATOM 641 N LEU A 41 3.156 5.466 -11.148 1.00 35.13 N ATOM 642 CA LEU A 41 3.848 4.169 -11.235 1.00 74.12 C ATOM 643 C LEU A 41 4.210 3.837 -12.707 1.00 24.34 C ATOM 644 O LEU A 41 5.211 3.157 -12.957 1.00 10.21 O ATOM 645 CB LEU A 41 2.956 3.057 -10.623 1.00 52.40 C ATOM 646 CG LEU A 41 2.713 3.100 -9.078 1.00 62.53 C ATOM 647 CD1 LEU A 41 1.559 2.156 -8.665 1.00 55.24 C ATOM 648 CD2 LEU A 41 4.006 2.773 -8.305 1.00 65.23 C ATOM 0 H LEU A 41 2.157 5.380 -10.959 1.00 35.13 H new ATOM 0 HA LEU A 41 4.777 4.226 -10.668 1.00 74.12 H new ATOM 0 HB2 LEU A 41 1.986 3.093 -11.118 1.00 52.40 H new ATOM 0 HB3 LEU A 41 3.403 2.093 -10.867 1.00 52.40 H new ATOM 0 HG LEU A 41 2.416 4.116 -8.816 1.00 62.53 H new ATOM 0 HD11 LEU A 41 1.415 2.208 -7.586 1.00 55.24 H new ATOM 0 HD12 LEU A 41 0.642 2.461 -9.169 1.00 55.24 H new ATOM 0 HD13 LEU A 41 1.806 1.133 -8.949 1.00 55.24 H new ATOM 0 HD21 LEU A 41 3.809 2.810 -7.234 1.00 65.23 H new ATOM 0 HD22 LEU A 41 4.350 1.775 -8.576 1.00 65.23 H new ATOM 0 HD23 LEU A 41 4.775 3.503 -8.558 1.00 65.23 H new ATOM 660 N LYS A 42 3.396 4.337 -13.675 1.00 1.34 N ATOM 661 CA LYS A 42 3.707 4.241 -15.135 1.00 3.22 C ATOM 662 C LYS A 42 4.941 5.083 -15.480 1.00 2.10 C ATOM 663 O LYS A 42 5.649 4.805 -16.443 1.00 75.10 O ATOM 664 CB LYS A 42 2.536 4.738 -16.027 1.00 71.14 C ATOM 665 CG LYS A 42 1.218 3.964 -15.899 1.00 74.44 C ATOM 666 CD LYS A 42 0.138 4.500 -16.866 1.00 34.23 C ATOM 667 CE LYS A 42 -1.217 3.801 -16.698 1.00 62.12 C ATOM 668 NZ LYS A 42 -2.210 4.282 -17.699 1.00 61.54 N ATOM 0 H LYS A 42 2.516 4.813 -13.474 1.00 1.34 H new ATOM 0 HA LYS A 42 3.884 3.184 -15.335 1.00 3.22 H new ATOM 0 HB2 LYS A 42 2.344 5.785 -15.790 1.00 71.14 H new ATOM 0 HB3 LYS A 42 2.857 4.700 -17.068 1.00 71.14 H new ATOM 0 HG2 LYS A 42 1.396 2.908 -16.103 1.00 74.44 H new ATOM 0 HG3 LYS A 42 0.854 4.034 -14.874 1.00 74.44 H new ATOM 0 HD2 LYS A 42 0.011 5.570 -16.703 1.00 34.23 H new ATOM 0 HD3 LYS A 42 0.482 4.372 -17.893 1.00 34.23 H new ATOM 0 HE2 LYS A 42 -1.087 2.724 -16.802 1.00 62.12 H new ATOM 0 HE3 LYS A 42 -1.597 3.980 -15.692 1.00 62.12 H new ATOM 0 HZ1 LYS A 42 -3.114 3.788 -17.556 1.00 61.54 H new ATOM 0 HZ2 LYS A 42 -2.352 5.306 -17.583 1.00 61.54 H new ATOM 0 HZ3 LYS A 42 -1.858 4.088 -18.658 1.00 61.54 H new ATOM 682 N ARG A 43 5.133 6.159 -14.711 1.00 23.51 N ATOM 683 CA ARG A 43 6.298 7.049 -14.828 1.00 51.43 C ATOM 684 C ARG A 43 7.510 6.458 -14.085 1.00 73.31 C ATOM 685 O ARG A 43 8.642 6.893 -14.308 1.00 33.10 O ATOM 686 CB ARG A 43 5.946 8.435 -14.237 1.00 12.10 C ATOM 687 CG ARG A 43 4.706 9.097 -14.855 1.00 62.43 C ATOM 688 CD ARG A 43 4.338 10.431 -14.180 1.00 71.12 C ATOM 689 NE ARG A 43 3.043 10.943 -14.661 1.00 34.00 N ATOM 690 CZ ARG A 43 2.759 12.225 -14.947 1.00 74.40 C ATOM 691 NH1 ARG A 43 3.676 13.185 -14.815 1.00 25.11 N ATOM 692 NH2 ARG A 43 1.539 12.534 -15.351 1.00 61.32 N ATOM 0 H ARG A 43 4.479 6.442 -13.981 1.00 23.51 H new ATOM 0 HA ARG A 43 6.557 7.153 -15.882 1.00 51.43 H new ATOM 0 HB2 ARG A 43 5.788 8.328 -13.164 1.00 12.10 H new ATOM 0 HB3 ARG A 43 6.800 9.099 -14.369 1.00 12.10 H new ATOM 0 HG2 ARG A 43 4.884 9.270 -15.916 1.00 62.43 H new ATOM 0 HG3 ARG A 43 3.861 8.413 -14.781 1.00 62.43 H new ATOM 0 HD2 ARG A 43 4.297 10.294 -13.099 1.00 71.12 H new ATOM 0 HD3 ARG A 43 5.117 11.167 -14.378 1.00 71.12 H new ATOM 0 HE ARG A 43 2.294 10.263 -14.789 1.00 34.00 H new ATOM 0 HH11 ARG A 43 4.615 12.952 -14.491 1.00 25.11 H new ATOM 0 HH12 ARG A 43 3.438 14.152 -15.038 1.00 25.11 H new ATOM 0 HH21 ARG A 43 0.832 11.805 -15.441 1.00 61.32 H new ATOM 0 HH22 ARG A 43 1.305 13.502 -15.573 1.00 61.32 H new ATOM 706 N ARG A 44 7.235 5.475 -13.193 1.00 64.00 N ATOM 707 CA ARG A 44 8.231 4.850 -12.289 1.00 62.52 C ATOM 708 C ARG A 44 8.757 5.864 -11.244 1.00 63.33 C ATOM 709 O ARG A 44 9.800 5.644 -10.619 1.00 44.03 O ATOM 710 CB ARG A 44 9.406 4.179 -13.085 1.00 42.10 C ATOM 711 CG ARG A 44 9.089 2.798 -13.705 1.00 13.42 C ATOM 712 CD ARG A 44 8.031 2.811 -14.819 1.00 61.02 C ATOM 713 NE ARG A 44 8.481 3.566 -16.001 1.00 14.22 N ATOM 714 CZ ARG A 44 8.117 3.321 -17.270 1.00 72.22 C ATOM 715 NH1 ARG A 44 7.269 2.330 -17.569 1.00 21.12 N ATOM 716 NH2 ARG A 44 8.593 4.088 -18.243 1.00 65.41 N ATOM 0 H ARG A 44 6.298 5.088 -13.080 1.00 64.00 H new ATOM 0 HA ARG A 44 7.720 4.054 -11.747 1.00 62.52 H new ATOM 0 HB2 ARG A 44 9.712 4.854 -13.884 1.00 42.10 H new ATOM 0 HB3 ARG A 44 10.259 4.070 -12.415 1.00 42.10 H new ATOM 0 HG2 ARG A 44 10.011 2.377 -14.106 1.00 13.42 H new ATOM 0 HG3 ARG A 44 8.751 2.130 -12.912 1.00 13.42 H new ATOM 0 HD2 ARG A 44 7.799 1.787 -15.110 1.00 61.02 H new ATOM 0 HD3 ARG A 44 7.109 3.250 -14.438 1.00 61.02 H new ATOM 0 HE ARG A 44 9.124 4.341 -15.842 1.00 14.22 H new ATOM 0 HH11 ARG A 44 6.887 1.744 -16.826 1.00 21.12 H new ATOM 0 HH12 ARG A 44 7.005 2.160 -18.539 1.00 21.12 H new ATOM 0 HH21 ARG A 44 9.229 4.855 -18.023 1.00 65.41 H new ATOM 0 HH22 ARG A 44 8.323 3.911 -19.211 1.00 65.41 H new ATOM 730 N ASN A 45 7.976 6.939 -11.019 1.00 72.24 N ATOM 731 CA ASN A 45 8.347 8.060 -10.125 1.00 42.11 C ATOM 732 C ASN A 45 8.076 7.743 -8.635 1.00 43.22 C ATOM 733 O ASN A 45 8.313 8.599 -7.775 1.00 22.05 O ATOM 734 CB ASN A 45 7.581 9.347 -10.558 1.00 62.12 C ATOM 735 CG ASN A 45 8.100 10.025 -11.845 1.00 45.53 C ATOM 736 OD1 ASN A 45 7.912 11.225 -12.038 1.00 32.43 O ATOM 737 ND2 ASN A 45 8.747 9.287 -12.734 1.00 4.53 N ATOM 0 H ASN A 45 7.062 7.057 -11.455 1.00 72.24 H new ATOM 0 HA ASN A 45 9.421 8.220 -10.221 1.00 42.11 H new ATOM 0 HB2 ASN A 45 6.530 9.094 -10.699 1.00 62.12 H new ATOM 0 HB3 ASN A 45 7.628 10.069 -9.743 1.00 62.12 H new ATOM 0 HD21 ASN A 45 9.097 9.713 -13.592 1.00 4.53 H new ATOM 0 HD22 ASN A 45 8.896 8.293 -12.560 1.00 4.53 H new ATOM 744 N ILE A 46 7.575 6.525 -8.340 1.00 64.32 N ATOM 745 CA ILE A 46 7.338 6.051 -6.959 1.00 20.54 C ATOM 746 C ILE A 46 8.336 4.917 -6.634 1.00 13.33 C ATOM 747 O ILE A 46 8.388 3.909 -7.349 1.00 21.31 O ATOM 748 CB ILE A 46 5.849 5.567 -6.755 1.00 3.00 C ATOM 749 CG1 ILE A 46 4.844 6.720 -7.090 1.00 71.03 C ATOM 750 CG2 ILE A 46 5.610 5.031 -5.319 1.00 44.41 C ATOM 751 CD1 ILE A 46 3.372 6.347 -6.981 1.00 44.21 C ATOM 0 H ILE A 46 7.323 5.841 -9.054 1.00 64.32 H new ATOM 0 HA ILE A 46 7.496 6.883 -6.273 1.00 20.54 H new ATOM 0 HB ILE A 46 5.675 4.741 -7.445 1.00 3.00 H new ATOM 0 HG12 ILE A 46 5.041 7.558 -6.421 1.00 71.03 H new ATOM 0 HG13 ILE A 46 5.040 7.069 -8.104 1.00 71.03 H new ATOM 0 HG21 ILE A 46 4.574 4.708 -5.219 1.00 44.41 H new ATOM 0 HG22 ILE A 46 6.273 4.187 -5.131 1.00 44.41 H new ATOM 0 HG23 ILE A 46 5.815 5.821 -4.597 1.00 44.41 H new ATOM 0 HD11 ILE A 46 2.758 7.212 -7.232 1.00 44.21 H new ATOM 0 HD12 ILE A 46 3.151 5.532 -7.671 1.00 44.21 H new ATOM 0 HD13 ILE A 46 3.152 6.029 -5.962 1.00 44.21 H new ATOM 763 N ASP A 47 9.122 5.102 -5.552 1.00 24.22 N ATOM 764 CA ASP A 47 10.202 4.168 -5.146 1.00 13.55 C ATOM 765 C ASP A 47 9.652 3.002 -4.310 1.00 73.20 C ATOM 766 O ASP A 47 10.165 1.868 -4.375 1.00 14.10 O ATOM 767 CB ASP A 47 11.287 4.942 -4.349 1.00 64.14 C ATOM 768 CG ASP A 47 12.351 4.050 -3.674 1.00 12.44 C ATOM 769 OD1 ASP A 47 13.298 3.605 -4.353 1.00 35.25 O ATOM 770 OD2 ASP A 47 12.241 3.790 -2.450 1.00 51.33 O ATOM 0 H ASP A 47 9.027 5.906 -4.931 1.00 24.22 H new ATOM 0 HA ASP A 47 10.646 3.744 -6.047 1.00 13.55 H new ATOM 0 HB2 ASP A 47 11.789 5.635 -5.024 1.00 64.14 H new ATOM 0 HB3 ASP A 47 10.797 5.542 -3.583 1.00 64.14 H new ATOM 775 N MET A 48 8.655 3.309 -3.478 1.00 12.22 N ATOM 776 CA MET A 48 7.969 2.313 -2.650 1.00 10.15 C ATOM 777 C MET A 48 6.546 2.782 -2.334 1.00 52.04 C ATOM 778 O MET A 48 6.303 3.983 -2.162 1.00 40.51 O ATOM 779 CB MET A 48 8.784 2.009 -1.368 1.00 70.33 C ATOM 780 CG MET A 48 9.051 3.202 -0.445 1.00 14.42 C ATOM 781 SD MET A 48 10.262 2.823 0.841 1.00 1.11 S ATOM 782 CE MET A 48 9.556 1.357 1.604 1.00 71.41 C ATOM 0 H MET A 48 8.299 4.257 -3.359 1.00 12.22 H new ATOM 0 HA MET A 48 7.892 1.378 -3.205 1.00 10.15 H new ATOM 0 HB2 MET A 48 8.256 1.245 -0.798 1.00 70.33 H new ATOM 0 HB3 MET A 48 9.742 1.581 -1.663 1.00 70.33 H new ATOM 0 HG2 MET A 48 9.407 4.044 -1.038 1.00 14.42 H new ATOM 0 HG3 MET A 48 8.116 3.513 0.021 1.00 14.42 H new ATOM 0 HE1 MET A 48 9.993 1.215 2.593 1.00 71.41 H new ATOM 0 HE2 MET A 48 8.477 1.480 1.698 1.00 71.41 H new ATOM 0 HE3 MET A 48 9.769 0.486 0.985 1.00 71.41 H new ATOM 792 N ILE A 49 5.612 1.828 -2.268 1.00 65.23 N ATOM 793 CA ILE A 49 4.188 2.104 -2.075 1.00 73.23 C ATOM 794 C ILE A 49 3.546 1.033 -1.174 1.00 11.51 C ATOM 795 O ILE A 49 3.932 -0.136 -1.205 1.00 2.32 O ATOM 796 CB ILE A 49 3.444 2.185 -3.460 1.00 32.24 C ATOM 797 CG1 ILE A 49 1.919 2.477 -3.270 1.00 44.52 C ATOM 798 CG2 ILE A 49 3.681 0.904 -4.303 1.00 35.34 C ATOM 799 CD1 ILE A 49 1.116 2.515 -4.550 1.00 74.12 C ATOM 0 H ILE A 49 5.827 0.834 -2.348 1.00 65.23 H new ATOM 0 HA ILE A 49 4.091 3.070 -1.580 1.00 73.23 H new ATOM 0 HB ILE A 49 3.868 3.022 -4.015 1.00 32.24 H new ATOM 0 HG12 ILE A 49 1.496 1.715 -2.615 1.00 44.52 H new ATOM 0 HG13 ILE A 49 1.808 3.433 -2.759 1.00 44.52 H new ATOM 0 HG21 ILE A 49 3.154 0.991 -5.253 1.00 35.34 H new ATOM 0 HG22 ILE A 49 4.748 0.783 -4.489 1.00 35.34 H new ATOM 0 HG23 ILE A 49 3.307 0.036 -3.759 1.00 35.34 H new ATOM 0 HD11 ILE A 49 0.072 2.723 -4.318 1.00 74.12 H new ATOM 0 HD12 ILE A 49 1.506 3.297 -5.201 1.00 74.12 H new ATOM 0 HD13 ILE A 49 1.190 1.552 -5.055 1.00 74.12 H new ATOM 811 N ILE A 50 2.574 1.455 -0.348 1.00 23.35 N ATOM 812 CA ILE A 50 1.795 0.570 0.531 1.00 25.42 C ATOM 813 C ILE A 50 0.297 0.850 0.287 1.00 50.33 C ATOM 814 O ILE A 50 -0.139 1.993 0.397 1.00 51.42 O ATOM 815 CB ILE A 50 2.186 0.805 2.043 1.00 63.14 C ATOM 816 CG1 ILE A 50 3.727 0.605 2.248 1.00 3.33 C ATOM 817 CG2 ILE A 50 1.371 -0.115 2.983 1.00 44.55 C ATOM 818 CD1 ILE A 50 4.243 0.860 3.651 1.00 32.41 C ATOM 0 H ILE A 50 2.304 2.436 -0.272 1.00 23.35 H new ATOM 0 HA ILE A 50 2.012 -0.474 0.305 1.00 25.42 H new ATOM 0 HB ILE A 50 1.939 1.835 2.302 1.00 63.14 H new ATOM 0 HG12 ILE A 50 3.983 -0.417 1.967 1.00 3.33 H new ATOM 0 HG13 ILE A 50 4.255 1.266 1.561 1.00 3.33 H new ATOM 0 HG21 ILE A 50 1.663 0.071 4.017 1.00 44.55 H new ATOM 0 HG22 ILE A 50 0.308 0.093 2.863 1.00 44.55 H new ATOM 0 HG23 ILE A 50 1.567 -1.157 2.732 1.00 44.55 H new ATOM 0 HD11 ILE A 50 5.320 0.692 3.679 1.00 32.41 H new ATOM 0 HD12 ILE A 50 4.029 1.890 3.936 1.00 32.41 H new ATOM 0 HD13 ILE A 50 3.752 0.181 4.348 1.00 32.41 H new ATOM 830 N VAL A 51 -0.474 -0.188 -0.095 1.00 2.40 N ATOM 831 CA VAL A 51 -1.907 -0.066 -0.460 1.00 32.44 C ATOM 832 C VAL A 51 -2.781 -0.838 0.541 1.00 34.23 C ATOM 833 O VAL A 51 -2.591 -2.036 0.710 1.00 42.31 O ATOM 834 CB VAL A 51 -2.178 -0.608 -1.922 1.00 1.15 C ATOM 835 CG1 VAL A 51 -3.667 -0.452 -2.331 1.00 61.32 C ATOM 836 CG2 VAL A 51 -1.247 0.076 -2.945 1.00 12.42 C ATOM 0 H VAL A 51 -0.121 -1.143 -0.161 1.00 2.40 H new ATOM 0 HA VAL A 51 -2.165 0.993 -0.430 1.00 32.44 H new ATOM 0 HB VAL A 51 -1.955 -1.675 -1.919 1.00 1.15 H new ATOM 0 HG11 VAL A 51 -3.809 -0.836 -3.341 1.00 61.32 H new ATOM 0 HG12 VAL A 51 -4.295 -1.012 -1.638 1.00 61.32 H new ATOM 0 HG13 VAL A 51 -3.944 0.602 -2.301 1.00 61.32 H new ATOM 0 HG21 VAL A 51 -1.453 -0.314 -3.942 1.00 12.42 H new ATOM 0 HG22 VAL A 51 -1.421 1.152 -2.933 1.00 12.42 H new ATOM 0 HG23 VAL A 51 -0.208 -0.126 -2.684 1.00 12.42 H new ATOM 846 N LYS A 52 -3.729 -0.142 1.198 1.00 40.25 N ATOM 847 CA LYS A 52 -4.746 -0.766 2.072 1.00 73.05 C ATOM 848 C LYS A 52 -6.153 -0.549 1.483 1.00 35.35 C ATOM 849 O LYS A 52 -6.650 0.575 1.446 1.00 24.11 O ATOM 850 CB LYS A 52 -4.663 -0.204 3.522 1.00 13.24 C ATOM 851 CG LYS A 52 -5.853 -0.574 4.455 1.00 11.42 C ATOM 852 CD LYS A 52 -6.074 -2.093 4.643 1.00 33.11 C ATOM 853 CE LYS A 52 -7.309 -2.397 5.510 1.00 65.21 C ATOM 854 NZ LYS A 52 -8.561 -1.798 4.958 1.00 73.44 N ATOM 0 H LYS A 52 -3.813 0.873 1.138 1.00 40.25 H new ATOM 0 HA LYS A 52 -4.546 -1.836 2.121 1.00 73.05 H new ATOM 0 HB2 LYS A 52 -3.741 -0.562 3.979 1.00 13.24 H new ATOM 0 HB3 LYS A 52 -4.591 0.882 3.468 1.00 13.24 H new ATOM 0 HG2 LYS A 52 -5.686 -0.121 5.432 1.00 11.42 H new ATOM 0 HG3 LYS A 52 -6.765 -0.135 4.051 1.00 11.42 H new ATOM 0 HD2 LYS A 52 -6.192 -2.565 3.668 1.00 33.11 H new ATOM 0 HD3 LYS A 52 -5.190 -2.533 5.105 1.00 33.11 H new ATOM 0 HE2 LYS A 52 -7.433 -3.477 5.593 1.00 65.21 H new ATOM 0 HE3 LYS A 52 -7.143 -2.017 6.518 1.00 65.21 H new ATOM 0 HZ1 LYS A 52 -9.138 -1.420 5.737 1.00 73.44 H new ATOM 0 HZ2 LYS A 52 -8.318 -1.028 4.302 1.00 73.44 H new ATOM 0 HZ3 LYS A 52 -9.100 -2.528 4.450 1.00 73.44 H new ATOM 868 N THR A 53 -6.770 -1.644 1.028 1.00 15.41 N ATOM 869 CA THR A 53 -8.169 -1.680 0.579 1.00 21.31 C ATOM 870 C THR A 53 -8.585 -3.145 0.358 1.00 61.02 C ATOM 871 O THR A 53 -7.737 -4.046 0.369 1.00 33.33 O ATOM 872 CB THR A 53 -8.423 -0.813 -0.723 1.00 2.04 C ATOM 873 OG1 THR A 53 -9.813 -0.850 -1.094 1.00 24.24 O ATOM 874 CG2 THR A 53 -7.565 -1.258 -1.920 1.00 15.24 C ATOM 0 H THR A 53 -6.304 -2.549 0.959 1.00 15.41 H new ATOM 0 HA THR A 53 -8.785 -1.231 1.358 1.00 21.31 H new ATOM 0 HB THR A 53 -8.130 0.206 -0.470 1.00 2.04 H new ATOM 0 HG1 THR A 53 -9.951 -0.308 -1.899 1.00 24.24 H new ATOM 0 HG21 THR A 53 -7.785 -0.626 -2.780 1.00 15.24 H new ATOM 0 HG22 THR A 53 -6.509 -1.168 -1.664 1.00 15.24 H new ATOM 0 HG23 THR A 53 -7.792 -2.296 -2.165 1.00 15.24 H new ATOM 882 N GLU A 54 -9.896 -3.381 0.227 1.00 3.13 N ATOM 883 CA GLU A 54 -10.448 -4.714 -0.118 1.00 51.22 C ATOM 884 C GLU A 54 -10.897 -4.737 -1.591 1.00 62.41 C ATOM 885 O GLU A 54 -11.416 -5.751 -2.073 1.00 53.10 O ATOM 886 CB GLU A 54 -11.627 -5.096 0.830 1.00 72.35 C ATOM 887 CG GLU A 54 -11.246 -5.332 2.313 1.00 25.12 C ATOM 888 CD GLU A 54 -10.749 -4.071 3.044 1.00 10.20 C ATOM 889 OE1 GLU A 54 -9.571 -4.023 3.469 1.00 12.02 O ATOM 890 OE2 GLU A 54 -11.531 -3.108 3.173 1.00 34.10 O ATOM 0 H GLU A 54 -10.608 -2.662 0.355 1.00 3.13 H new ATOM 0 HA GLU A 54 -9.662 -5.457 0.017 1.00 51.22 H new ATOM 0 HB2 GLU A 54 -12.375 -4.304 0.788 1.00 72.35 H new ATOM 0 HB3 GLU A 54 -12.099 -6.001 0.447 1.00 72.35 H new ATOM 0 HG2 GLU A 54 -12.114 -5.727 2.841 1.00 25.12 H new ATOM 0 HG3 GLU A 54 -10.470 -6.096 2.360 1.00 25.12 H new ATOM 897 N ASP A 55 -10.691 -3.597 -2.285 1.00 42.41 N ATOM 898 CA ASP A 55 -10.949 -3.454 -3.725 1.00 61.01 C ATOM 899 C ASP A 55 -9.842 -4.218 -4.479 1.00 4.42 C ATOM 900 O ASP A 55 -8.781 -3.667 -4.788 1.00 15.14 O ATOM 901 CB ASP A 55 -10.985 -1.942 -4.118 1.00 11.40 C ATOM 902 CG ASP A 55 -11.507 -1.646 -5.548 1.00 2.45 C ATOM 903 OD1 ASP A 55 -10.987 -2.220 -6.527 1.00 52.05 O ATOM 904 OD2 ASP A 55 -12.399 -0.786 -5.699 1.00 75.54 O ATOM 0 H ASP A 55 -10.337 -2.744 -1.852 1.00 42.41 H new ATOM 0 HA ASP A 55 -11.920 -3.872 -3.992 1.00 61.01 H new ATOM 0 HB2 ASP A 55 -11.612 -1.411 -3.402 1.00 11.40 H new ATOM 0 HB3 ASP A 55 -9.979 -1.534 -4.024 1.00 11.40 H new ATOM 909 N LYS A 56 -10.101 -5.513 -4.715 1.00 73.22 N ATOM 910 CA LYS A 56 -9.155 -6.453 -5.352 1.00 21.30 C ATOM 911 C LYS A 56 -8.677 -5.975 -6.739 1.00 51.14 C ATOM 912 O LYS A 56 -7.518 -6.222 -7.115 1.00 1.21 O ATOM 913 CB LYS A 56 -9.814 -7.845 -5.494 1.00 4.02 C ATOM 914 CG LYS A 56 -10.250 -8.485 -4.162 1.00 33.52 C ATOM 915 CD LYS A 56 -11.012 -9.816 -4.364 1.00 54.00 C ATOM 916 CE LYS A 56 -10.197 -10.855 -5.157 1.00 33.15 C ATOM 917 NZ LYS A 56 -10.972 -12.104 -5.389 1.00 52.10 N ATOM 0 H LYS A 56 -10.989 -5.948 -4.465 1.00 73.22 H new ATOM 0 HA LYS A 56 -8.280 -6.506 -4.704 1.00 21.30 H new ATOM 0 HB2 LYS A 56 -10.686 -7.756 -6.142 1.00 4.02 H new ATOM 0 HB3 LYS A 56 -9.114 -8.515 -5.992 1.00 4.02 H new ATOM 0 HG2 LYS A 56 -9.370 -8.664 -3.544 1.00 33.52 H new ATOM 0 HG3 LYS A 56 -10.885 -7.786 -3.618 1.00 33.52 H new ATOM 0 HD2 LYS A 56 -11.273 -10.231 -3.391 1.00 54.00 H new ATOM 0 HD3 LYS A 56 -11.947 -9.618 -4.887 1.00 54.00 H new ATOM 0 HE2 LYS A 56 -9.899 -10.429 -6.115 1.00 33.15 H new ATOM 0 HE3 LYS A 56 -9.282 -11.091 -4.614 1.00 33.15 H new ATOM 0 HZ1 LYS A 56 -10.390 -12.779 -5.926 1.00 52.10 H new ATOM 0 HZ2 LYS A 56 -11.235 -12.524 -4.475 1.00 52.10 H new ATOM 0 HZ3 LYS A 56 -11.833 -11.883 -5.929 1.00 52.10 H new ATOM 931 N GLU A 57 -9.581 -5.292 -7.477 1.00 60.10 N ATOM 932 CA GLU A 57 -9.296 -4.765 -8.825 1.00 14.33 C ATOM 933 C GLU A 57 -8.177 -3.711 -8.769 1.00 63.14 C ATOM 934 O GLU A 57 -7.176 -3.839 -9.477 1.00 0.21 O ATOM 935 CB GLU A 57 -10.586 -4.172 -9.469 1.00 43.42 C ATOM 936 CG GLU A 57 -11.679 -5.220 -9.754 1.00 25.03 C ATOM 937 CD GLU A 57 -12.936 -4.645 -10.428 1.00 34.20 C ATOM 938 OE1 GLU A 57 -12.941 -4.492 -11.673 1.00 44.42 O ATOM 939 OE2 GLU A 57 -13.923 -4.361 -9.722 1.00 62.53 O ATOM 0 H GLU A 57 -10.527 -5.092 -7.152 1.00 60.10 H new ATOM 0 HA GLU A 57 -8.955 -5.590 -9.450 1.00 14.33 H new ATOM 0 HB2 GLU A 57 -10.993 -3.408 -8.807 1.00 43.42 H new ATOM 0 HB3 GLU A 57 -10.320 -3.676 -10.402 1.00 43.42 H new ATOM 0 HG2 GLU A 57 -11.262 -6.000 -10.391 1.00 25.03 H new ATOM 0 HG3 GLU A 57 -11.967 -5.694 -8.816 1.00 25.03 H new ATOM 946 N SER A 58 -8.320 -2.731 -7.856 1.00 5.44 N ATOM 947 CA SER A 58 -7.365 -1.616 -7.728 1.00 14.44 C ATOM 948 C SER A 58 -6.000 -2.121 -7.247 1.00 31.12 C ATOM 949 O SER A 58 -4.979 -1.784 -7.847 1.00 20.42 O ATOM 950 CB SER A 58 -7.898 -0.540 -6.769 1.00 74.14 C ATOM 951 OG SER A 58 -8.085 -1.036 -5.464 1.00 15.12 O ATOM 0 H SER A 58 -9.094 -2.690 -7.193 1.00 5.44 H new ATOM 0 HA SER A 58 -7.244 -1.169 -8.715 1.00 14.44 H new ATOM 0 HB2 SER A 58 -7.201 0.297 -6.741 1.00 74.14 H new ATOM 0 HB3 SER A 58 -8.844 -0.154 -7.148 1.00 74.14 H new ATOM 0 HG SER A 58 -8.355 -1.977 -5.507 1.00 15.12 H new ATOM 957 N ILE A 59 -6.016 -2.971 -6.188 1.00 44.04 N ATOM 958 CA ILE A 59 -4.806 -3.608 -5.625 1.00 45.04 C ATOM 959 C ILE A 59 -3.971 -4.247 -6.755 1.00 64.43 C ATOM 960 O ILE A 59 -2.782 -3.946 -6.915 1.00 74.31 O ATOM 961 CB ILE A 59 -5.171 -4.724 -4.567 1.00 14.44 C ATOM 962 CG1 ILE A 59 -5.936 -4.138 -3.343 1.00 14.32 C ATOM 963 CG2 ILE A 59 -3.913 -5.482 -4.103 1.00 62.22 C ATOM 964 CD1 ILE A 59 -6.415 -5.182 -2.340 1.00 62.02 C ATOM 0 H ILE A 59 -6.874 -3.232 -5.702 1.00 44.04 H new ATOM 0 HA ILE A 59 -4.232 -2.829 -5.124 1.00 45.04 H new ATOM 0 HB ILE A 59 -5.836 -5.429 -5.066 1.00 14.44 H new ATOM 0 HG12 ILE A 59 -5.286 -3.430 -2.829 1.00 14.32 H new ATOM 0 HG13 ILE A 59 -6.798 -3.576 -3.704 1.00 14.32 H new ATOM 0 HG21 ILE A 59 -4.195 -6.243 -3.376 1.00 62.22 H new ATOM 0 HG22 ILE A 59 -3.438 -5.958 -4.961 1.00 62.22 H new ATOM 0 HG23 ILE A 59 -3.215 -4.782 -3.644 1.00 62.22 H new ATOM 0 HD11 ILE A 59 -6.937 -4.687 -1.521 1.00 62.02 H new ATOM 0 HD12 ILE A 59 -7.093 -5.878 -2.835 1.00 62.02 H new ATOM 0 HD13 ILE A 59 -5.558 -5.729 -1.947 1.00 62.02 H new ATOM 976 N SER A 60 -4.666 -5.061 -7.568 1.00 75.03 N ATOM 977 CA SER A 60 -4.087 -5.784 -8.702 1.00 64.23 C ATOM 978 C SER A 60 -3.388 -4.833 -9.694 1.00 31.13 C ATOM 979 O SER A 60 -2.231 -5.071 -10.058 1.00 25.21 O ATOM 980 CB SER A 60 -5.193 -6.584 -9.421 1.00 73.02 C ATOM 981 OG SER A 60 -4.665 -7.404 -10.449 1.00 5.11 O ATOM 0 H SER A 60 -5.664 -5.235 -7.449 1.00 75.03 H new ATOM 0 HA SER A 60 -3.329 -6.465 -8.316 1.00 64.23 H new ATOM 0 HB2 SER A 60 -5.722 -7.204 -8.697 1.00 73.02 H new ATOM 0 HB3 SER A 60 -5.923 -5.895 -9.845 1.00 73.02 H new ATOM 0 HG SER A 60 -3.788 -7.747 -10.176 1.00 5.11 H new ATOM 987 N GLU A 61 -4.082 -3.730 -10.072 1.00 41.21 N ATOM 988 CA GLU A 61 -3.572 -2.767 -11.072 1.00 34.23 C ATOM 989 C GLU A 61 -2.268 -2.116 -10.592 1.00 10.12 C ATOM 990 O GLU A 61 -1.273 -2.115 -11.330 1.00 44.43 O ATOM 991 CB GLU A 61 -4.617 -1.671 -11.410 1.00 33.03 C ATOM 992 CG GLU A 61 -5.988 -2.197 -11.873 1.00 61.31 C ATOM 993 CD GLU A 61 -5.912 -3.316 -12.936 1.00 52.22 C ATOM 994 OE1 GLU A 61 -6.067 -4.508 -12.581 1.00 72.22 O ATOM 995 OE2 GLU A 61 -5.716 -3.006 -14.131 1.00 71.43 O ATOM 0 H GLU A 61 -4.999 -3.488 -9.696 1.00 41.21 H new ATOM 0 HA GLU A 61 -3.373 -3.333 -11.982 1.00 34.23 H new ATOM 0 HB2 GLU A 61 -4.763 -1.046 -10.529 1.00 33.03 H new ATOM 0 HB3 GLU A 61 -4.208 -1.030 -12.191 1.00 33.03 H new ATOM 0 HG2 GLU A 61 -6.532 -2.571 -11.006 1.00 61.31 H new ATOM 0 HG3 GLU A 61 -6.566 -1.366 -12.278 1.00 61.31 H new ATOM 1002 N ILE A 62 -2.277 -1.612 -9.334 1.00 4.54 N ATOM 1003 CA ILE A 62 -1.091 -1.003 -8.703 1.00 5.24 C ATOM 1004 C ILE A 62 0.117 -1.974 -8.752 1.00 22.15 C ATOM 1005 O ILE A 62 1.197 -1.583 -9.195 1.00 61.21 O ATOM 1006 CB ILE A 62 -1.366 -0.516 -7.209 1.00 41.03 C ATOM 1007 CG1 ILE A 62 -2.106 0.881 -7.163 1.00 24.21 C ATOM 1008 CG2 ILE A 62 -0.062 -0.461 -6.365 1.00 65.11 C ATOM 1009 CD1 ILE A 62 -3.582 0.860 -7.509 1.00 3.21 C ATOM 0 H ILE A 62 -3.103 -1.618 -8.736 1.00 4.54 H new ATOM 0 HA ILE A 62 -0.851 -0.112 -9.283 1.00 5.24 H new ATOM 0 HB ILE A 62 -2.026 -1.261 -6.766 1.00 41.03 H new ATOM 0 HG12 ILE A 62 -1.993 1.297 -6.162 1.00 24.21 H new ATOM 0 HG13 ILE A 62 -1.601 1.561 -7.850 1.00 24.21 H new ATOM 0 HG21 ILE A 62 -0.296 -0.124 -5.355 1.00 65.11 H new ATOM 0 HG22 ILE A 62 0.386 -1.454 -6.322 1.00 65.11 H new ATOM 0 HG23 ILE A 62 0.640 0.234 -6.825 1.00 65.11 H new ATOM 0 HD11 ILE A 62 -3.985 1.871 -7.445 1.00 3.21 H new ATOM 0 HD12 ILE A 62 -3.713 0.481 -8.522 1.00 3.21 H new ATOM 0 HD13 ILE A 62 -4.111 0.213 -6.809 1.00 3.21 H new ATOM 1021 N ILE A 63 -0.098 -3.252 -8.358 1.00 64.12 N ATOM 1022 CA ILE A 63 0.982 -4.268 -8.311 1.00 2.14 C ATOM 1023 C ILE A 63 1.582 -4.497 -9.709 1.00 32.35 C ATOM 1024 O ILE A 63 2.798 -4.578 -9.838 1.00 73.24 O ATOM 1025 CB ILE A 63 0.489 -5.640 -7.737 1.00 1.24 C ATOM 1026 CG1 ILE A 63 -0.128 -5.457 -6.326 1.00 13.35 C ATOM 1027 CG2 ILE A 63 1.641 -6.682 -7.691 1.00 25.35 C ATOM 1028 CD1 ILE A 63 -0.882 -6.671 -5.838 1.00 65.23 C ATOM 0 H ILE A 63 -1.010 -3.604 -8.068 1.00 64.12 H new ATOM 0 HA ILE A 63 1.744 -3.871 -7.640 1.00 2.14 H new ATOM 0 HB ILE A 63 -0.282 -6.019 -8.408 1.00 1.24 H new ATOM 0 HG12 ILE A 63 0.667 -5.223 -5.618 1.00 13.35 H new ATOM 0 HG13 ILE A 63 -0.803 -4.601 -6.341 1.00 13.35 H new ATOM 0 HG21 ILE A 63 1.265 -7.622 -7.288 1.00 25.35 H new ATOM 0 HG22 ILE A 63 2.024 -6.846 -8.698 1.00 25.35 H new ATOM 0 HG23 ILE A 63 2.443 -6.309 -7.054 1.00 25.35 H new ATOM 0 HD11 ILE A 63 -1.287 -6.473 -4.845 1.00 65.23 H new ATOM 0 HD12 ILE A 63 -1.698 -6.893 -6.525 1.00 65.23 H new ATOM 0 HD13 ILE A 63 -0.206 -7.525 -5.791 1.00 65.23 H new ATOM 1040 N LYS A 64 0.713 -4.566 -10.742 1.00 2.25 N ATOM 1041 CA LYS A 64 1.138 -4.742 -12.151 1.00 4.14 C ATOM 1042 C LYS A 64 2.100 -3.616 -12.562 1.00 43.51 C ATOM 1043 O LYS A 64 3.126 -3.861 -13.220 1.00 52.51 O ATOM 1044 CB LYS A 64 -0.090 -4.740 -13.100 1.00 55.05 C ATOM 1045 CG LYS A 64 -1.084 -5.898 -12.876 1.00 43.14 C ATOM 1046 CD LYS A 64 -2.396 -5.690 -13.667 1.00 54.55 C ATOM 1047 CE LYS A 64 -3.408 -6.825 -13.466 1.00 3.42 C ATOM 1048 NZ LYS A 64 -4.694 -6.538 -14.168 1.00 74.51 N ATOM 0 H LYS A 64 -0.298 -4.502 -10.625 1.00 2.25 H new ATOM 0 HA LYS A 64 1.647 -5.702 -12.232 1.00 4.14 H new ATOM 0 HB2 LYS A 64 -0.621 -3.796 -12.981 1.00 55.05 H new ATOM 0 HB3 LYS A 64 0.265 -4.779 -14.130 1.00 55.05 H new ATOM 0 HG2 LYS A 64 -0.622 -6.837 -13.179 1.00 43.14 H new ATOM 0 HG3 LYS A 64 -1.310 -5.982 -11.813 1.00 43.14 H new ATOM 0 HD2 LYS A 64 -2.851 -4.748 -13.362 1.00 54.55 H new ATOM 0 HD3 LYS A 64 -2.163 -5.603 -14.728 1.00 54.55 H new ATOM 0 HE2 LYS A 64 -2.988 -7.759 -13.839 1.00 3.42 H new ATOM 0 HE3 LYS A 64 -3.596 -6.963 -12.401 1.00 3.42 H new ATOM 0 HZ1 LYS A 64 -5.257 -7.410 -14.232 1.00 74.51 H new ATOM 0 HZ2 LYS A 64 -5.227 -5.820 -13.637 1.00 74.51 H new ATOM 0 HZ3 LYS A 64 -4.495 -6.183 -15.125 1.00 74.51 H new ATOM 1062 N GLN A 65 1.765 -2.389 -12.129 1.00 41.15 N ATOM 1063 CA GLN A 65 2.601 -1.208 -12.365 1.00 10.14 C ATOM 1064 C GLN A 65 3.942 -1.330 -11.605 1.00 72.34 C ATOM 1065 O GLN A 65 4.991 -0.982 -12.138 1.00 41.12 O ATOM 1066 CB GLN A 65 1.875 0.088 -11.927 1.00 61.12 C ATOM 1067 CG GLN A 65 0.430 0.269 -12.424 1.00 33.31 C ATOM 1068 CD GLN A 65 0.245 0.037 -13.923 1.00 62.54 C ATOM 1069 OE1 GLN A 65 -0.072 -1.072 -14.367 1.00 54.52 O ATOM 1070 NE2 GLN A 65 0.451 1.078 -14.710 1.00 31.05 N ATOM 0 H GLN A 65 0.910 -2.192 -11.608 1.00 41.15 H new ATOM 0 HA GLN A 65 2.798 -1.153 -13.436 1.00 10.14 H new ATOM 0 HB2 GLN A 65 1.868 0.123 -10.838 1.00 61.12 H new ATOM 0 HB3 GLN A 65 2.462 0.940 -12.269 1.00 61.12 H new ATOM 0 HG2 GLN A 65 -0.217 -0.418 -11.880 1.00 33.31 H new ATOM 0 HG3 GLN A 65 0.099 1.279 -12.181 1.00 33.31 H new ATOM 0 HE21 GLN A 65 0.712 1.978 -14.307 1.00 31.05 H new ATOM 0 HE22 GLN A 65 0.349 0.982 -15.720 1.00 31.05 H new ATOM 1079 N VAL A 66 3.880 -1.852 -10.364 1.00 33.24 N ATOM 1080 CA VAL A 66 5.049 -1.991 -9.472 1.00 31.25 C ATOM 1081 C VAL A 66 5.986 -3.138 -9.925 1.00 32.25 C ATOM 1082 O VAL A 66 7.193 -3.093 -9.665 1.00 2.00 O ATOM 1083 CB VAL A 66 4.605 -2.197 -7.975 1.00 63.41 C ATOM 1084 CG1 VAL A 66 5.817 -2.433 -7.052 1.00 2.30 C ATOM 1085 CG2 VAL A 66 3.773 -0.993 -7.478 1.00 64.13 C ATOM 0 H VAL A 66 3.012 -2.191 -9.949 1.00 33.24 H new ATOM 0 HA VAL A 66 5.611 -1.059 -9.537 1.00 31.25 H new ATOM 0 HB VAL A 66 3.980 -3.089 -7.939 1.00 63.41 H new ATOM 0 HG11 VAL A 66 5.472 -2.571 -6.027 1.00 2.30 H new ATOM 0 HG12 VAL A 66 6.354 -3.324 -7.377 1.00 2.30 H new ATOM 0 HG13 VAL A 66 6.483 -1.571 -7.098 1.00 2.30 H new ATOM 0 HG21 VAL A 66 3.478 -1.158 -6.442 1.00 64.13 H new ATOM 0 HG22 VAL A 66 4.372 -0.085 -7.545 1.00 64.13 H new ATOM 0 HG23 VAL A 66 2.882 -0.886 -8.097 1.00 64.13 H new ATOM 1095 N LEU A 67 5.439 -4.148 -10.622 1.00 22.32 N ATOM 1096 CA LEU A 67 6.251 -5.233 -11.221 1.00 41.23 C ATOM 1097 C LEU A 67 7.138 -4.629 -12.328 1.00 0.11 C ATOM 1098 O LEU A 67 8.339 -4.912 -12.416 1.00 1.41 O ATOM 1099 CB LEU A 67 5.341 -6.360 -11.792 1.00 64.14 C ATOM 1100 CG LEU A 67 4.456 -7.128 -10.753 1.00 33.02 C ATOM 1101 CD1 LEU A 67 3.465 -8.080 -11.456 1.00 21.22 C ATOM 1102 CD2 LEU A 67 5.311 -7.886 -9.708 1.00 32.04 C ATOM 0 H LEU A 67 4.437 -4.240 -10.787 1.00 22.32 H new ATOM 0 HA LEU A 67 6.880 -5.684 -10.453 1.00 41.23 H new ATOM 0 HB2 LEU A 67 4.684 -5.922 -12.544 1.00 64.14 H new ATOM 0 HB3 LEU A 67 5.974 -7.084 -12.305 1.00 64.14 H new ATOM 0 HG LEU A 67 3.878 -6.379 -10.213 1.00 33.02 H new ATOM 0 HD11 LEU A 67 2.865 -8.598 -10.708 1.00 21.22 H new ATOM 0 HD12 LEU A 67 2.810 -7.505 -12.111 1.00 21.22 H new ATOM 0 HD13 LEU A 67 4.019 -8.810 -12.047 1.00 21.22 H new ATOM 0 HD21 LEU A 67 4.655 -8.404 -9.008 1.00 32.04 H new ATOM 0 HD22 LEU A 67 5.946 -8.612 -10.215 1.00 32.04 H new ATOM 0 HD23 LEU A 67 5.934 -7.176 -9.164 1.00 32.04 H new ATOM 1114 N ASP A 68 6.517 -3.728 -13.112 1.00 21.33 N ATOM 1115 CA ASP A 68 7.185 -2.959 -14.177 1.00 31.24 C ATOM 1116 C ASP A 68 8.119 -1.882 -13.576 1.00 33.41 C ATOM 1117 O ASP A 68 9.178 -1.583 -14.141 1.00 32.41 O ATOM 1118 CB ASP A 68 6.113 -2.297 -15.093 1.00 52.22 C ATOM 1119 CG ASP A 68 6.712 -1.453 -16.239 1.00 31.01 C ATOM 1120 OD1 ASP A 68 7.235 -2.046 -17.208 1.00 2.42 O ATOM 1121 OD2 ASP A 68 6.660 -0.200 -16.176 1.00 2.53 O ATOM 0 H ASP A 68 5.524 -3.511 -13.022 1.00 21.33 H new ATOM 0 HA ASP A 68 7.795 -3.639 -14.771 1.00 31.24 H new ATOM 0 HB2 ASP A 68 5.481 -3.076 -15.519 1.00 52.22 H new ATOM 0 HB3 ASP A 68 5.469 -1.662 -14.484 1.00 52.22 H new ATOM 1126 N SER A 69 7.730 -1.340 -12.405 1.00 42.42 N ATOM 1127 CA SER A 69 8.408 -0.191 -11.772 1.00 13.44 C ATOM 1128 C SER A 69 9.653 -0.631 -10.974 1.00 41.41 C ATOM 1129 O SER A 69 10.668 0.077 -10.951 1.00 3.00 O ATOM 1130 CB SER A 69 7.411 0.581 -10.861 1.00 4.20 C ATOM 1131 OG SER A 69 7.918 1.844 -10.458 1.00 31.21 O ATOM 0 H SER A 69 6.934 -1.688 -11.870 1.00 42.42 H new ATOM 0 HA SER A 69 8.752 0.475 -12.564 1.00 13.44 H new ATOM 0 HB2 SER A 69 6.470 0.722 -11.393 1.00 4.20 H new ATOM 0 HB3 SER A 69 7.190 -0.018 -9.978 1.00 4.20 H new ATOM 0 HG SER A 69 7.259 2.295 -9.889 1.00 31.21 H new ATOM 1137 N GLY A 70 9.566 -1.812 -10.354 1.00 44.55 N ATOM 1138 CA GLY A 70 10.615 -2.318 -9.467 1.00 25.11 C ATOM 1139 C GLY A 70 10.602 -1.677 -8.080 1.00 35.01 C ATOM 1140 O GLY A 70 11.647 -1.612 -7.423 1.00 43.25 O ATOM 0 H GLY A 70 8.769 -2.441 -10.453 1.00 44.55 H new ATOM 0 HA2 GLY A 70 10.501 -3.397 -9.361 1.00 25.11 H new ATOM 0 HA3 GLY A 70 11.586 -2.144 -9.930 1.00 25.11 H new ATOM 1144 N ALA A 71 9.417 -1.220 -7.627 1.00 1.03 N ATOM 1145 CA ALA A 71 9.248 -0.532 -6.324 1.00 24.42 C ATOM 1146 C ALA A 71 8.999 -1.544 -5.177 1.00 10.44 C ATOM 1147 O ALA A 71 8.653 -2.698 -5.444 1.00 34.31 O ATOM 1148 CB ALA A 71 8.087 0.486 -6.423 1.00 20.13 C ATOM 0 H ALA A 71 8.548 -1.316 -8.152 1.00 1.03 H new ATOM 0 HA ALA A 71 10.171 -0.001 -6.090 1.00 24.42 H new ATOM 0 HB1 ALA A 71 7.963 0.991 -5.465 1.00 20.13 H new ATOM 0 HB2 ALA A 71 8.313 1.222 -7.195 1.00 20.13 H new ATOM 0 HB3 ALA A 71 7.165 -0.037 -6.679 1.00 20.13 H new ATOM 1154 N LYS A 72 9.187 -1.115 -3.902 1.00 35.53 N ATOM 1155 CA LYS A 72 8.834 -1.957 -2.719 1.00 3.43 C ATOM 1156 C LYS A 72 7.342 -1.791 -2.411 1.00 34.32 C ATOM 1157 O LYS A 72 6.923 -0.730 -1.956 1.00 73.32 O ATOM 1158 CB LYS A 72 9.665 -1.617 -1.435 1.00 74.12 C ATOM 1159 CG LYS A 72 11.138 -2.083 -1.447 1.00 15.15 C ATOM 1160 CD LYS A 72 12.047 -1.239 -2.360 1.00 33.41 C ATOM 1161 CE LYS A 72 12.181 0.213 -1.866 1.00 64.24 C ATOM 1162 NZ LYS A 72 13.060 1.025 -2.748 1.00 75.10 N ATOM 0 H LYS A 72 9.576 -0.203 -3.664 1.00 35.53 H new ATOM 0 HA LYS A 72 9.074 -2.987 -2.984 1.00 3.43 H new ATOM 0 HB2 LYS A 72 9.646 -0.537 -1.288 1.00 74.12 H new ATOM 0 HB3 LYS A 72 9.169 -2.065 -0.574 1.00 74.12 H new ATOM 0 HG2 LYS A 72 11.528 -2.050 -0.430 1.00 15.15 H new ATOM 0 HG3 LYS A 72 11.178 -3.123 -1.770 1.00 15.15 H new ATOM 0 HD2 LYS A 72 13.035 -1.697 -2.409 1.00 33.41 H new ATOM 0 HD3 LYS A 72 11.644 -1.241 -3.373 1.00 33.41 H new ATOM 0 HE2 LYS A 72 11.193 0.672 -1.818 1.00 64.24 H new ATOM 0 HE3 LYS A 72 12.583 0.215 -0.853 1.00 64.24 H new ATOM 0 HZ1 LYS A 72 13.041 2.017 -2.438 1.00 75.10 H new ATOM 0 HZ2 LYS A 72 14.034 0.664 -2.695 1.00 75.10 H new ATOM 0 HZ3 LYS A 72 12.720 0.963 -3.729 1.00 75.10 H new ATOM 1176 N VAL A 73 6.558 -2.848 -2.634 1.00 72.13 N ATOM 1177 CA VAL A 73 5.093 -2.816 -2.465 1.00 12.23 C ATOM 1178 C VAL A 73 4.651 -3.697 -1.281 1.00 74.13 C ATOM 1179 O VAL A 73 5.062 -4.862 -1.157 1.00 24.25 O ATOM 1180 CB VAL A 73 4.349 -3.227 -3.788 1.00 64.25 C ATOM 1181 CG1 VAL A 73 4.823 -4.599 -4.321 1.00 21.50 C ATOM 1182 CG2 VAL A 73 2.807 -3.163 -3.630 1.00 13.41 C ATOM 0 H VAL A 73 6.916 -3.754 -2.937 1.00 72.13 H new ATOM 0 HA VAL A 73 4.812 -1.787 -2.240 1.00 12.23 H new ATOM 0 HB VAL A 73 4.619 -2.489 -4.543 1.00 64.25 H new ATOM 0 HG11 VAL A 73 4.282 -4.841 -5.236 1.00 21.50 H new ATOM 0 HG12 VAL A 73 5.892 -4.558 -4.532 1.00 21.50 H new ATOM 0 HG13 VAL A 73 4.630 -5.367 -3.572 1.00 21.50 H new ATOM 0 HG21 VAL A 73 2.333 -3.455 -4.567 1.00 13.41 H new ATOM 0 HG22 VAL A 73 2.494 -3.843 -2.838 1.00 13.41 H new ATOM 0 HG23 VAL A 73 2.509 -2.146 -3.374 1.00 13.41 H new ATOM 1192 N LEU A 74 3.834 -3.102 -0.395 1.00 44.05 N ATOM 1193 CA LEU A 74 3.160 -3.805 0.696 1.00 31.12 C ATOM 1194 C LEU A 74 1.651 -3.732 0.461 1.00 22.43 C ATOM 1195 O LEU A 74 1.095 -2.644 0.323 1.00 73.21 O ATOM 1196 CB LEU A 74 3.523 -3.190 2.073 1.00 4.24 C ATOM 1197 CG LEU A 74 2.767 -3.783 3.307 1.00 30.40 C ATOM 1198 CD1 LEU A 74 2.929 -5.308 3.391 1.00 3.44 C ATOM 1199 CD2 LEU A 74 3.198 -3.096 4.621 1.00 55.12 C ATOM 0 H LEU A 74 3.624 -2.104 -0.422 1.00 44.05 H new ATOM 0 HA LEU A 74 3.488 -4.844 0.709 1.00 31.12 H new ATOM 0 HB2 LEU A 74 4.594 -3.314 2.234 1.00 4.24 H new ATOM 0 HB3 LEU A 74 3.329 -2.118 2.033 1.00 4.24 H new ATOM 0 HG LEU A 74 1.706 -3.577 3.164 1.00 30.40 H new ATOM 0 HD11 LEU A 74 2.390 -5.684 4.261 1.00 3.44 H new ATOM 0 HD12 LEU A 74 2.526 -5.767 2.488 1.00 3.44 H new ATOM 0 HD13 LEU A 74 3.986 -5.557 3.484 1.00 3.44 H new ATOM 0 HD21 LEU A 74 2.652 -3.534 5.457 1.00 55.12 H new ATOM 0 HD22 LEU A 74 4.268 -3.239 4.772 1.00 55.12 H new ATOM 0 HD23 LEU A 74 2.979 -2.030 4.563 1.00 55.12 H new ATOM 1211 N ILE A 75 1.006 -4.898 0.397 1.00 43.25 N ATOM 1212 CA ILE A 75 -0.443 -5.010 0.238 1.00 63.32 C ATOM 1213 C ILE A 75 -1.074 -5.356 1.586 1.00 32.11 C ATOM 1214 O ILE A 75 -0.670 -6.320 2.247 1.00 70.45 O ATOM 1215 CB ILE A 75 -0.815 -6.082 -0.847 1.00 12.41 C ATOM 1216 CG1 ILE A 75 -0.219 -5.674 -2.234 1.00 71.14 C ATOM 1217 CG2 ILE A 75 -2.345 -6.315 -0.937 1.00 1.13 C ATOM 1218 CD1 ILE A 75 -0.619 -4.288 -2.732 1.00 73.24 C ATOM 0 H ILE A 75 1.480 -5.799 0.455 1.00 43.25 H new ATOM 0 HA ILE A 75 -0.835 -4.053 -0.107 1.00 63.32 H new ATOM 0 HB ILE A 75 -0.374 -7.031 -0.543 1.00 12.41 H new ATOM 0 HG12 ILE A 75 0.868 -5.720 -2.172 1.00 71.14 H new ATOM 0 HG13 ILE A 75 -0.527 -6.412 -2.975 1.00 71.14 H new ATOM 0 HG21 ILE A 75 -2.555 -7.064 -1.700 1.00 1.13 H new ATOM 0 HG22 ILE A 75 -2.717 -6.664 0.026 1.00 1.13 H new ATOM 0 HG23 ILE A 75 -2.841 -5.380 -1.200 1.00 1.13 H new ATOM 0 HD11 ILE A 75 -0.154 -4.101 -3.700 1.00 73.24 H new ATOM 0 HD12 ILE A 75 -1.703 -4.237 -2.834 1.00 73.24 H new ATOM 0 HD13 ILE A 75 -0.286 -3.535 -2.018 1.00 73.24 H new ATOM 1230 N LEU A 76 -2.054 -4.545 1.976 1.00 2.20 N ATOM 1231 CA LEU A 76 -2.803 -4.682 3.220 1.00 14.40 C ATOM 1232 C LEU A 76 -4.296 -4.783 2.872 1.00 34.35 C ATOM 1233 O LEU A 76 -4.803 -4.010 2.046 1.00 4.42 O ATOM 1234 CB LEU A 76 -2.524 -3.461 4.149 1.00 30.53 C ATOM 1235 CG LEU A 76 -1.032 -3.241 4.558 1.00 54.31 C ATOM 1236 CD1 LEU A 76 -0.843 -1.943 5.374 1.00 5.14 C ATOM 1237 CD2 LEU A 76 -0.482 -4.462 5.322 1.00 73.21 C ATOM 0 H LEU A 76 -2.358 -3.749 1.416 1.00 2.20 H new ATOM 0 HA LEU A 76 -2.494 -5.580 3.755 1.00 14.40 H new ATOM 0 HB2 LEU A 76 -2.880 -2.560 3.649 1.00 30.53 H new ATOM 0 HB3 LEU A 76 -3.116 -3.577 5.057 1.00 30.53 H new ATOM 0 HG LEU A 76 -0.458 -3.129 3.638 1.00 54.31 H new ATOM 0 HD11 LEU A 76 0.208 -1.829 5.638 1.00 5.14 H new ATOM 0 HD12 LEU A 76 -1.162 -1.088 4.777 1.00 5.14 H new ATOM 0 HD13 LEU A 76 -1.442 -1.995 6.283 1.00 5.14 H new ATOM 0 HD21 LEU A 76 0.558 -4.282 5.595 1.00 73.21 H new ATOM 0 HD22 LEU A 76 -1.071 -4.622 6.225 1.00 73.21 H new ATOM 0 HD23 LEU A 76 -0.543 -5.346 4.687 1.00 73.21 H new ATOM 1249 N SER A 77 -4.977 -5.754 3.477 1.00 23.02 N ATOM 1250 CA SER A 77 -6.427 -5.937 3.334 1.00 51.40 C ATOM 1251 C SER A 77 -6.950 -6.586 4.609 1.00 23.12 C ATOM 1252 O SER A 77 -6.244 -7.375 5.232 1.00 5.41 O ATOM 1253 CB SER A 77 -6.766 -6.814 2.099 1.00 34.13 C ATOM 1254 OG SER A 77 -8.167 -6.960 1.932 1.00 20.00 O ATOM 0 H SER A 77 -4.538 -6.444 4.086 1.00 23.02 H new ATOM 0 HA SER A 77 -6.903 -4.969 3.179 1.00 51.40 H new ATOM 0 HB2 SER A 77 -6.337 -6.364 1.204 1.00 34.13 H new ATOM 0 HB3 SER A 77 -6.308 -7.797 2.213 1.00 34.13 H new ATOM 0 HG SER A 77 -8.346 -7.516 1.145 1.00 20.00 H new ATOM 1260 N SER A 78 -8.191 -6.262 4.978 1.00 45.23 N ATOM 1261 CA SER A 78 -8.840 -6.810 6.178 1.00 74.50 C ATOM 1262 C SER A 78 -9.126 -8.322 6.019 1.00 3.20 C ATOM 1263 O SER A 78 -9.374 -9.022 7.008 1.00 11.35 O ATOM 1264 CB SER A 78 -10.137 -6.026 6.465 1.00 62.13 C ATOM 1265 OG SER A 78 -9.880 -4.630 6.562 1.00 11.14 O ATOM 0 H SER A 78 -8.778 -5.612 4.455 1.00 45.23 H new ATOM 0 HA SER A 78 -8.164 -6.699 7.026 1.00 74.50 H new ATOM 0 HB2 SER A 78 -10.861 -6.211 5.672 1.00 62.13 H new ATOM 0 HB3 SER A 78 -10.583 -6.382 7.393 1.00 62.13 H new ATOM 0 HG SER A 78 -9.767 -4.255 5.664 1.00 11.14 H new ATOM 1271 N ASP A 79 -9.074 -8.814 4.764 1.00 32.50 N ATOM 1272 CA ASP A 79 -9.306 -10.235 4.446 1.00 14.13 C ATOM 1273 C ASP A 79 -8.014 -10.922 3.941 1.00 44.32 C ATOM 1274 O ASP A 79 -7.363 -10.449 2.995 1.00 64.34 O ATOM 1275 CB ASP A 79 -10.437 -10.359 3.407 1.00 61.54 C ATOM 1276 CG ASP A 79 -10.811 -11.817 3.125 1.00 52.34 C ATOM 1277 OD1 ASP A 79 -10.431 -12.347 2.068 1.00 65.42 O ATOM 1278 OD2 ASP A 79 -11.456 -12.450 3.979 1.00 40.32 O ATOM 0 H ASP A 79 -8.871 -8.239 3.947 1.00 32.50 H new ATOM 0 HA ASP A 79 -9.606 -10.747 5.360 1.00 14.13 H new ATOM 0 HB2 ASP A 79 -11.316 -9.824 3.765 1.00 61.54 H new ATOM 0 HB3 ASP A 79 -10.128 -9.879 2.478 1.00 61.54 H new ATOM 1283 N GLU A 80 -7.684 -12.072 4.564 1.00 43.41 N ATOM 1284 CA GLU A 80 -6.448 -12.834 4.290 1.00 35.11 C ATOM 1285 C GLU A 80 -6.556 -13.714 3.039 1.00 64.11 C ATOM 1286 O GLU A 80 -5.541 -14.241 2.576 1.00 42.42 O ATOM 1287 CB GLU A 80 -6.033 -13.677 5.524 1.00 51.34 C ATOM 1288 CG GLU A 80 -7.067 -14.720 5.978 1.00 12.24 C ATOM 1289 CD GLU A 80 -6.661 -15.446 7.271 1.00 63.31 C ATOM 1290 OE1 GLU A 80 -6.386 -16.667 7.231 1.00 63.11 O ATOM 1291 OE2 GLU A 80 -6.608 -14.790 8.337 1.00 35.53 O ATOM 0 H GLU A 80 -8.273 -12.502 5.277 1.00 43.41 H new ATOM 0 HA GLU A 80 -5.668 -12.100 4.088 1.00 35.11 H new ATOM 0 HB2 GLU A 80 -5.098 -14.190 5.297 1.00 51.34 H new ATOM 0 HB3 GLU A 80 -5.832 -13.001 6.355 1.00 51.34 H new ATOM 0 HG2 GLU A 80 -8.028 -14.228 6.130 1.00 12.24 H new ATOM 0 HG3 GLU A 80 -7.207 -15.454 5.184 1.00 12.24 H new ATOM 1298 N ASN A 81 -7.773 -13.889 2.501 1.00 41.41 N ATOM 1299 CA ASN A 81 -7.986 -14.673 1.265 1.00 14.32 C ATOM 1300 C ASN A 81 -7.736 -13.768 0.045 1.00 43.34 C ATOM 1301 O ASN A 81 -7.281 -14.240 -0.998 1.00 54.12 O ATOM 1302 CB ASN A 81 -9.409 -15.285 1.224 1.00 2.34 C ATOM 1303 CG ASN A 81 -9.767 -16.023 2.517 1.00 35.22 C ATOM 1304 OD1 ASN A 81 -9.486 -17.213 2.674 1.00 60.32 O ATOM 1305 ND2 ASN A 81 -10.389 -15.317 3.449 1.00 32.35 N ATOM 0 H ASN A 81 -8.627 -13.500 2.899 1.00 41.41 H new ATOM 0 HA ASN A 81 -7.282 -15.505 1.246 1.00 14.32 H new ATOM 0 HB2 ASN A 81 -10.137 -14.493 1.048 1.00 2.34 H new ATOM 0 HB3 ASN A 81 -9.480 -15.976 0.384 1.00 2.34 H new ATOM 0 HD21 ASN A 81 -10.651 -15.756 4.331 1.00 32.35 H new ATOM 0 HD22 ASN A 81 -10.606 -14.334 3.284 1.00 32.35 H new ATOM 1312 N ILE A 82 -8.032 -12.457 0.201 1.00 14.32 N ATOM 1313 CA ILE A 82 -7.615 -11.412 -0.759 1.00 71.04 C ATOM 1314 C ILE A 82 -6.081 -11.307 -0.742 1.00 33.12 C ATOM 1315 O ILE A 82 -5.439 -11.329 -1.795 1.00 4.12 O ATOM 1316 CB ILE A 82 -8.259 -10.005 -0.425 1.00 62.01 C ATOM 1317 CG1 ILE A 82 -9.816 -10.079 -0.533 1.00 21.31 C ATOM 1318 CG2 ILE A 82 -7.686 -8.876 -1.333 1.00 24.41 C ATOM 1319 CD1 ILE A 82 -10.539 -8.784 -0.203 1.00 72.42 C ATOM 0 H ILE A 82 -8.564 -12.096 0.993 1.00 14.32 H new ATOM 0 HA ILE A 82 -7.967 -11.697 -1.751 1.00 71.04 H new ATOM 0 HB ILE A 82 -7.995 -9.753 0.602 1.00 62.01 H new ATOM 0 HG12 ILE A 82 -10.082 -10.379 -1.546 1.00 21.31 H new ATOM 0 HG13 ILE A 82 -10.176 -10.861 0.136 1.00 21.31 H new ATOM 0 HG21 ILE A 82 -8.154 -7.927 -1.072 1.00 24.41 H new ATOM 0 HG22 ILE A 82 -6.608 -8.802 -1.186 1.00 24.41 H new ATOM 0 HG23 ILE A 82 -7.894 -9.108 -2.377 1.00 24.41 H new ATOM 0 HD11 ILE A 82 -11.614 -8.931 -0.305 1.00 72.42 H new ATOM 0 HD12 ILE A 82 -10.309 -8.489 0.821 1.00 72.42 H new ATOM 0 HD13 ILE A 82 -10.213 -8.001 -0.888 1.00 72.42 H new ATOM 1331 N ILE A 83 -5.519 -11.240 0.482 1.00 65.20 N ATOM 1332 CA ILE A 83 -4.061 -11.258 0.715 1.00 65.02 C ATOM 1333 C ILE A 83 -3.403 -12.518 0.090 1.00 14.34 C ATOM 1334 O ILE A 83 -2.339 -12.413 -0.526 1.00 14.02 O ATOM 1335 CB ILE A 83 -3.764 -11.138 2.264 1.00 1.44 C ATOM 1336 CG1 ILE A 83 -4.108 -9.697 2.766 1.00 45.14 C ATOM 1337 CG2 ILE A 83 -2.324 -11.542 2.659 1.00 25.12 C ATOM 1338 CD1 ILE A 83 -3.298 -8.573 2.121 1.00 43.23 C ATOM 0 H ILE A 83 -6.066 -11.172 1.340 1.00 65.20 H new ATOM 0 HA ILE A 83 -3.614 -10.398 0.217 1.00 65.02 H new ATOM 0 HB ILE A 83 -4.411 -11.860 2.762 1.00 1.44 H new ATOM 0 HG12 ILE A 83 -5.167 -9.510 2.586 1.00 45.14 H new ATOM 0 HG13 ILE A 83 -3.957 -9.659 3.845 1.00 45.14 H new ATOM 0 HG21 ILE A 83 -2.198 -11.433 3.736 1.00 25.12 H new ATOM 0 HG22 ILE A 83 -2.147 -12.580 2.376 1.00 25.12 H new ATOM 0 HG23 ILE A 83 -1.611 -10.899 2.143 1.00 25.12 H new ATOM 0 HD11 ILE A 83 -3.611 -7.615 2.536 1.00 43.23 H new ATOM 0 HD12 ILE A 83 -2.238 -8.727 2.322 1.00 43.23 H new ATOM 0 HD13 ILE A 83 -3.467 -8.575 1.044 1.00 43.23 H new ATOM 1350 N GLU A 84 -4.079 -13.682 0.203 1.00 3.15 N ATOM 1351 CA GLU A 84 -3.610 -14.956 -0.391 1.00 15.10 C ATOM 1352 C GLU A 84 -3.657 -14.903 -1.927 1.00 75.12 C ATOM 1353 O GLU A 84 -2.735 -15.384 -2.587 1.00 62.35 O ATOM 1354 CB GLU A 84 -4.457 -16.153 0.113 1.00 33.54 C ATOM 1355 CG GLU A 84 -3.988 -17.530 -0.416 1.00 72.42 C ATOM 1356 CD GLU A 84 -4.967 -18.671 -0.105 1.00 34.25 C ATOM 1357 OE1 GLU A 84 -4.744 -19.425 0.866 1.00 20.52 O ATOM 1358 OE2 GLU A 84 -5.971 -18.812 -0.835 1.00 23.23 O ATOM 0 H GLU A 84 -4.962 -13.766 0.706 1.00 3.15 H new ATOM 0 HA GLU A 84 -2.576 -15.097 -0.075 1.00 15.10 H new ATOM 0 HB2 GLU A 84 -4.433 -16.168 1.203 1.00 33.54 H new ATOM 0 HB3 GLU A 84 -5.495 -15.998 -0.181 1.00 33.54 H new ATOM 0 HG2 GLU A 84 -3.847 -17.467 -1.495 1.00 72.42 H new ATOM 0 HG3 GLU A 84 -3.017 -17.766 0.019 1.00 72.42 H new ATOM 1365 N SER A 85 -4.735 -14.311 -2.480 1.00 3.14 N ATOM 1366 CA SER A 85 -4.903 -14.140 -3.937 1.00 21.44 C ATOM 1367 C SER A 85 -3.740 -13.327 -4.525 1.00 22.12 C ATOM 1368 O SER A 85 -3.209 -13.643 -5.597 1.00 55.33 O ATOM 1369 CB SER A 85 -6.251 -13.444 -4.239 1.00 34.02 C ATOM 1370 OG SER A 85 -7.360 -14.226 -3.800 1.00 33.24 O ATOM 0 H SER A 85 -5.511 -13.939 -1.931 1.00 3.14 H new ATOM 0 HA SER A 85 -4.902 -15.125 -4.403 1.00 21.44 H new ATOM 0 HB2 SER A 85 -6.276 -12.471 -3.749 1.00 34.02 H new ATOM 0 HB3 SER A 85 -6.335 -13.263 -5.311 1.00 34.02 H new ATOM 0 HG SER A 85 -7.370 -14.259 -2.821 1.00 33.24 H new ATOM 1376 N ILE A 86 -3.339 -12.301 -3.772 1.00 1.31 N ATOM 1377 CA ILE A 86 -2.222 -11.424 -4.123 1.00 14.02 C ATOM 1378 C ILE A 86 -0.869 -12.167 -3.983 1.00 51.13 C ATOM 1379 O ILE A 86 0.032 -11.971 -4.799 1.00 23.20 O ATOM 1380 CB ILE A 86 -2.286 -10.119 -3.238 1.00 23.33 C ATOM 1381 CG1 ILE A 86 -3.616 -9.332 -3.513 1.00 11.43 C ATOM 1382 CG2 ILE A 86 -1.056 -9.218 -3.431 1.00 22.44 C ATOM 1383 CD1 ILE A 86 -3.906 -9.015 -4.982 1.00 11.44 C ATOM 0 H ILE A 86 -3.787 -12.053 -2.890 1.00 1.31 H new ATOM 0 HA ILE A 86 -2.303 -11.128 -5.169 1.00 14.02 H new ATOM 0 HB ILE A 86 -2.278 -10.435 -2.195 1.00 23.33 H new ATOM 0 HG12 ILE A 86 -4.449 -9.911 -3.114 1.00 11.43 H new ATOM 0 HG13 ILE A 86 -3.584 -8.395 -2.957 1.00 11.43 H new ATOM 0 HG21 ILE A 86 -1.150 -8.334 -2.800 1.00 22.44 H new ATOM 0 HG22 ILE A 86 -0.156 -9.767 -3.155 1.00 22.44 H new ATOM 0 HG23 ILE A 86 -0.989 -8.913 -4.475 1.00 22.44 H new ATOM 0 HD11 ILE A 86 -4.847 -8.470 -5.058 1.00 11.44 H new ATOM 0 HD12 ILE A 86 -3.100 -8.404 -5.389 1.00 11.44 H new ATOM 0 HD13 ILE A 86 -3.978 -9.944 -5.547 1.00 11.44 H new ATOM 1395 N ARG A 87 -0.762 -13.049 -2.971 1.00 40.32 N ATOM 1396 CA ARG A 87 0.446 -13.881 -2.743 1.00 14.05 C ATOM 1397 C ARG A 87 0.681 -14.882 -3.896 1.00 51.30 C ATOM 1398 O ARG A 87 1.812 -15.059 -4.352 1.00 74.14 O ATOM 1399 CB ARG A 87 0.334 -14.675 -1.407 1.00 74.51 C ATOM 1400 CG ARG A 87 0.448 -13.838 -0.122 1.00 62.52 C ATOM 1401 CD ARG A 87 0.245 -14.683 1.151 1.00 32.11 C ATOM 1402 NE ARG A 87 0.393 -13.885 2.382 1.00 5.21 N ATOM 1403 CZ ARG A 87 0.772 -14.365 3.584 1.00 10.25 C ATOM 1404 NH1 ARG A 87 1.048 -15.660 3.750 1.00 11.53 N ATOM 1405 NH2 ARG A 87 0.882 -13.534 4.615 1.00 22.24 N ATOM 0 H ARG A 87 -1.504 -13.208 -2.289 1.00 40.32 H new ATOM 0 HA ARG A 87 1.291 -13.194 -2.694 1.00 14.05 H new ATOM 0 HB2 ARG A 87 -0.623 -15.197 -1.395 1.00 74.51 H new ATOM 0 HB3 ARG A 87 1.113 -15.437 -1.392 1.00 74.51 H new ATOM 0 HG2 ARG A 87 1.429 -13.363 -0.087 1.00 62.52 H new ATOM 0 HG3 ARG A 87 -0.292 -13.038 -0.146 1.00 62.52 H new ATOM 0 HD2 ARG A 87 -0.747 -15.134 1.130 1.00 32.11 H new ATOM 0 HD3 ARG A 87 0.967 -15.500 1.161 1.00 32.11 H new ATOM 0 HE ARG A 87 0.192 -12.887 2.319 1.00 5.21 H new ATOM 0 HH11 ARG A 87 0.974 -16.302 2.961 1.00 11.53 H new ATOM 0 HH12 ARG A 87 1.333 -16.007 4.666 1.00 11.53 H new ATOM 0 HH21 ARG A 87 0.680 -12.541 4.494 1.00 22.24 H new ATOM 0 HH22 ARG A 87 1.168 -13.889 5.528 1.00 22.24 H new ATOM 1419 N LYS A 88 -0.395 -15.542 -4.344 1.00 64.21 N ATOM 1420 CA LYS A 88 -0.301 -16.675 -5.290 1.00 54.31 C ATOM 1421 C LYS A 88 -0.163 -16.193 -6.747 1.00 54.14 C ATOM 1422 O LYS A 88 0.523 -16.836 -7.552 1.00 31.55 O ATOM 1423 CB LYS A 88 -1.511 -17.632 -5.098 1.00 1.21 C ATOM 1424 CG LYS A 88 -2.898 -17.034 -5.403 1.00 55.03 C ATOM 1425 CD LYS A 88 -4.091 -17.872 -4.857 1.00 70.14 C ATOM 1426 CE LYS A 88 -4.237 -19.280 -5.482 1.00 61.10 C ATOM 1427 NZ LYS A 88 -3.243 -20.268 -4.968 1.00 40.24 N ATOM 0 H LYS A 88 -1.350 -15.313 -4.067 1.00 64.21 H new ATOM 0 HA LYS A 88 0.608 -17.235 -5.070 1.00 54.31 H new ATOM 0 HB2 LYS A 88 -1.365 -18.504 -5.736 1.00 1.21 H new ATOM 0 HB3 LYS A 88 -1.509 -17.987 -4.067 1.00 1.21 H new ATOM 0 HG2 LYS A 88 -2.950 -16.031 -4.979 1.00 55.03 H new ATOM 0 HG3 LYS A 88 -3.006 -16.930 -6.483 1.00 55.03 H new ATOM 0 HD2 LYS A 88 -3.977 -17.979 -3.778 1.00 70.14 H new ATOM 0 HD3 LYS A 88 -5.014 -17.317 -5.027 1.00 70.14 H new ATOM 0 HE2 LYS A 88 -5.242 -19.653 -5.286 1.00 61.10 H new ATOM 0 HE3 LYS A 88 -4.132 -19.201 -6.564 1.00 61.10 H new ATOM 0 HZ1 LYS A 88 -2.580 -20.522 -5.728 1.00 40.24 H new ATOM 0 HZ2 LYS A 88 -2.716 -19.850 -4.175 1.00 40.24 H new ATOM 0 HZ3 LYS A 88 -3.739 -21.122 -4.642 1.00 40.24 H new ATOM 1441 N GLN A 89 -0.819 -15.062 -7.081 1.00 12.15 N ATOM 1442 CA GLN A 89 -0.669 -14.411 -8.401 1.00 74.41 C ATOM 1443 C GLN A 89 0.665 -13.653 -8.493 1.00 31.23 C ATOM 1444 O GLN A 89 1.267 -13.563 -9.569 1.00 13.20 O ATOM 1445 CB GLN A 89 -1.847 -13.443 -8.680 1.00 63.44 C ATOM 1446 CG GLN A 89 -3.217 -14.131 -8.804 1.00 41.25 C ATOM 1447 CD GLN A 89 -4.356 -13.140 -9.028 1.00 70.03 C ATOM 1448 OE1 GLN A 89 -4.684 -12.792 -10.162 1.00 61.03 O ATOM 1449 NE2 GLN A 89 -4.958 -12.669 -7.944 1.00 3.34 N ATOM 0 H GLN A 89 -1.460 -14.578 -6.452 1.00 12.15 H new ATOM 0 HA GLN A 89 -0.677 -15.196 -9.157 1.00 74.41 H new ATOM 0 HB2 GLN A 89 -1.895 -12.707 -7.878 1.00 63.44 H new ATOM 0 HB3 GLN A 89 -1.643 -12.897 -9.601 1.00 63.44 H new ATOM 0 HG2 GLN A 89 -3.189 -14.840 -9.632 1.00 41.25 H new ATOM 0 HG3 GLN A 89 -3.414 -14.706 -7.899 1.00 41.25 H new ATOM 0 HE21 GLN A 89 -4.660 -12.980 -7.019 1.00 3.34 H new ATOM 0 HE22 GLN A 89 -5.719 -11.996 -8.035 1.00 3.34 H new ATOM 1458 N TYR A 90 1.113 -13.093 -7.355 1.00 33.34 N ATOM 1459 CA TYR A 90 2.352 -12.302 -7.274 1.00 64.05 C ATOM 1460 C TYR A 90 3.203 -12.845 -6.101 1.00 1.35 C ATOM 1461 O TYR A 90 2.986 -12.455 -4.962 1.00 21.22 O ATOM 1462 CB TYR A 90 2.016 -10.785 -7.084 1.00 74.45 C ATOM 1463 CG TYR A 90 0.895 -10.258 -8.008 1.00 73.22 C ATOM 1464 CD1 TYR A 90 1.130 -9.997 -9.359 1.00 22.34 C ATOM 1465 CD2 TYR A 90 -0.400 -10.023 -7.523 1.00 53.20 C ATOM 1466 CE1 TYR A 90 0.125 -9.529 -10.190 1.00 42.24 C ATOM 1467 CE2 TYR A 90 -1.405 -9.556 -8.352 1.00 74.13 C ATOM 1468 CZ TYR A 90 -1.137 -9.307 -9.685 1.00 42.50 C ATOM 1469 OH TYR A 90 -2.137 -8.836 -10.516 1.00 53.10 O ATOM 0 H TYR A 90 0.624 -13.177 -6.464 1.00 33.34 H new ATOM 0 HA TYR A 90 2.921 -12.393 -8.200 1.00 64.05 H new ATOM 0 HB2 TYR A 90 1.724 -10.617 -6.047 1.00 74.45 H new ATOM 0 HB3 TYR A 90 2.919 -10.201 -7.259 1.00 74.45 H new ATOM 0 HD1 TYR A 90 2.117 -10.163 -9.765 1.00 22.34 H new ATOM 0 HD2 TYR A 90 -0.617 -10.210 -6.482 1.00 53.20 H new ATOM 0 HE1 TYR A 90 0.331 -9.338 -11.233 1.00 42.24 H new ATOM 0 HE2 TYR A 90 -2.396 -9.387 -7.958 1.00 74.13 H new ATOM 0 HH TYR A 90 -1.978 -9.150 -11.430 1.00 53.10 H new ATOM 1479 N PRO A 91 4.139 -13.818 -6.338 1.00 15.14 N ATOM 1480 CA PRO A 91 4.925 -14.451 -5.238 1.00 51.40 C ATOM 1481 C PRO A 91 5.938 -13.503 -4.544 1.00 73.43 C ATOM 1482 O PRO A 91 6.286 -13.716 -3.375 1.00 31.01 O ATOM 1483 CB PRO A 91 5.637 -15.630 -5.949 1.00 71.11 C ATOM 1484 CG PRO A 91 5.720 -15.219 -7.386 1.00 20.42 C ATOM 1485 CD PRO A 91 4.466 -14.420 -7.663 1.00 0.31 C ATOM 0 HA PRO A 91 4.279 -14.753 -4.413 1.00 51.40 H new ATOM 0 HB2 PRO A 91 6.628 -15.804 -5.530 1.00 71.11 H new ATOM 0 HB3 PRO A 91 5.076 -16.557 -5.835 1.00 71.11 H new ATOM 0 HG2 PRO A 91 6.613 -14.621 -7.570 1.00 20.42 H new ATOM 0 HG3 PRO A 91 5.780 -16.090 -8.038 1.00 20.42 H new ATOM 0 HD2 PRO A 91 4.636 -13.655 -8.421 1.00 0.31 H new ATOM 0 HD3 PRO A 91 3.658 -15.054 -8.026 1.00 0.31 H new ATOM 1493 N LYS A 92 6.405 -12.461 -5.259 1.00 33.35 N ATOM 1494 CA LYS A 92 7.474 -11.559 -4.756 1.00 4.53 C ATOM 1495 C LYS A 92 6.920 -10.252 -4.139 1.00 2.12 C ATOM 1496 O LYS A 92 7.686 -9.309 -3.902 1.00 11.03 O ATOM 1497 CB LYS A 92 8.482 -11.243 -5.898 1.00 31.04 C ATOM 1498 CG LYS A 92 9.174 -12.487 -6.506 1.00 52.24 C ATOM 1499 CD LYS A 92 10.347 -12.130 -7.456 1.00 75.24 C ATOM 1500 CE LYS A 92 9.938 -11.217 -8.626 1.00 65.33 C ATOM 1501 NZ LYS A 92 8.921 -11.845 -9.515 1.00 13.42 N ATOM 0 H LYS A 92 6.062 -12.218 -6.188 1.00 33.35 H new ATOM 0 HA LYS A 92 7.987 -12.085 -3.951 1.00 4.53 H new ATOM 0 HB2 LYS A 92 7.957 -10.711 -6.691 1.00 31.04 H new ATOM 0 HB3 LYS A 92 9.247 -10.569 -5.514 1.00 31.04 H new ATOM 0 HG2 LYS A 92 9.547 -13.118 -5.699 1.00 52.24 H new ATOM 0 HG3 LYS A 92 8.437 -13.074 -7.054 1.00 52.24 H new ATOM 0 HD2 LYS A 92 11.132 -11.640 -6.881 1.00 75.24 H new ATOM 0 HD3 LYS A 92 10.772 -13.050 -7.856 1.00 75.24 H new ATOM 0 HE2 LYS A 92 9.542 -10.282 -8.231 1.00 65.33 H new ATOM 0 HE3 LYS A 92 10.822 -10.966 -9.212 1.00 65.33 H new ATOM 0 HZ1 LYS A 92 8.681 -11.189 -10.285 1.00 13.42 H new ATOM 0 HZ2 LYS A 92 9.306 -12.724 -9.916 1.00 13.42 H new ATOM 0 HZ3 LYS A 92 8.065 -12.061 -8.965 1.00 13.42 H new ATOM 1515 N VAL A 93 5.605 -10.189 -3.866 1.00 4.21 N ATOM 1516 CA VAL A 93 4.998 -9.032 -3.165 1.00 2.13 C ATOM 1517 C VAL A 93 4.999 -9.282 -1.641 1.00 75.30 C ATOM 1518 O VAL A 93 4.802 -10.423 -1.191 1.00 60.42 O ATOM 1519 CB VAL A 93 3.529 -8.738 -3.670 1.00 43.32 C ATOM 1520 CG1 VAL A 93 2.581 -9.912 -3.385 1.00 11.34 C ATOM 1521 CG2 VAL A 93 2.959 -7.428 -3.072 1.00 3.14 C ATOM 0 H VAL A 93 4.940 -10.920 -4.117 1.00 4.21 H new ATOM 0 HA VAL A 93 5.601 -8.153 -3.391 1.00 2.13 H new ATOM 0 HB VAL A 93 3.597 -8.611 -4.750 1.00 43.32 H new ATOM 0 HG11 VAL A 93 1.582 -9.669 -3.748 1.00 11.34 H new ATOM 0 HG12 VAL A 93 2.945 -10.805 -3.893 1.00 11.34 H new ATOM 0 HG13 VAL A 93 2.542 -10.096 -2.311 1.00 11.34 H new ATOM 0 HG21 VAL A 93 1.948 -7.267 -3.447 1.00 3.14 H new ATOM 0 HG22 VAL A 93 2.935 -7.504 -1.985 1.00 3.14 H new ATOM 0 HG23 VAL A 93 3.592 -6.590 -3.363 1.00 3.14 H new ATOM 1531 N GLU A 94 5.245 -8.223 -0.850 1.00 74.10 N ATOM 1532 CA GLU A 94 5.070 -8.275 0.609 1.00 23.44 C ATOM 1533 C GLU A 94 3.595 -8.026 0.924 1.00 2.11 C ATOM 1534 O GLU A 94 3.021 -7.051 0.437 1.00 62.12 O ATOM 1535 CB GLU A 94 5.966 -7.222 1.313 1.00 3.42 C ATOM 1536 CG GLU A 94 7.479 -7.424 1.109 1.00 5.23 C ATOM 1537 CD GLU A 94 7.989 -8.770 1.653 1.00 10.43 C ATOM 1538 OE1 GLU A 94 8.156 -9.724 0.865 1.00 61.42 O ATOM 1539 OE2 GLU A 94 8.203 -8.883 2.882 1.00 31.05 O ATOM 0 H GLU A 94 5.566 -7.320 -1.199 1.00 74.10 H new ATOM 0 HA GLU A 94 5.370 -9.255 0.980 1.00 23.44 H new ATOM 0 HB2 GLU A 94 5.693 -6.231 0.949 1.00 3.42 H new ATOM 0 HB3 GLU A 94 5.752 -7.239 2.382 1.00 3.42 H new ATOM 0 HG2 GLU A 94 7.708 -7.359 0.045 1.00 5.23 H new ATOM 0 HG3 GLU A 94 8.017 -6.613 1.601 1.00 5.23 H new ATOM 1546 N THR A 95 2.970 -8.919 1.707 1.00 12.21 N ATOM 1547 CA THR A 95 1.542 -8.817 2.065 1.00 11.20 C ATOM 1548 C THR A 95 1.345 -9.023 3.574 1.00 73.21 C ATOM 1549 O THR A 95 2.188 -9.632 4.239 1.00 41.11 O ATOM 1550 CB THR A 95 0.678 -9.870 1.294 1.00 21.23 C ATOM 1551 OG1 THR A 95 1.134 -11.193 1.599 1.00 12.52 O ATOM 1552 CG2 THR A 95 0.707 -9.671 -0.226 1.00 64.34 C ATOM 0 H THR A 95 3.437 -9.731 2.110 1.00 12.21 H new ATOM 0 HA THR A 95 1.214 -7.817 1.782 1.00 11.20 H new ATOM 0 HB THR A 95 -0.351 -9.730 1.625 1.00 21.23 H new ATOM 0 HG1 THR A 95 1.825 -11.457 0.956 1.00 12.52 H new ATOM 0 HG21 THR A 95 0.090 -10.431 -0.704 1.00 64.34 H new ATOM 0 HG22 THR A 95 0.320 -8.682 -0.471 1.00 64.34 H new ATOM 0 HG23 THR A 95 1.733 -9.758 -0.585 1.00 64.34 H new ATOM 1560 N ARG A 96 0.230 -8.501 4.095 1.00 15.41 N ATOM 1561 CA ARG A 96 -0.218 -8.725 5.472 1.00 63.24 C ATOM 1562 C ARG A 96 -1.704 -8.409 5.549 1.00 13.35 C ATOM 1563 O ARG A 96 -2.152 -7.377 5.036 1.00 44.41 O ATOM 1564 CB ARG A 96 0.568 -7.844 6.482 1.00 2.33 C ATOM 1565 CG ARG A 96 0.017 -7.820 7.931 1.00 2.25 C ATOM 1566 CD ARG A 96 0.827 -6.893 8.861 1.00 43.02 C ATOM 1567 NE ARG A 96 0.161 -6.673 10.162 1.00 55.21 N ATOM 1568 CZ ARG A 96 0.625 -5.876 11.147 1.00 44.00 C ATOM 1569 NH1 ARG A 96 1.776 -5.218 11.019 1.00 13.41 N ATOM 1570 NH2 ARG A 96 -0.075 -5.743 12.266 1.00 54.43 N ATOM 0 H ARG A 96 -0.398 -7.900 3.561 1.00 15.41 H new ATOM 0 HA ARG A 96 -0.033 -9.765 5.740 1.00 63.24 H new ATOM 0 HB2 ARG A 96 1.600 -8.193 6.512 1.00 2.33 H new ATOM 0 HB3 ARG A 96 0.588 -6.822 6.104 1.00 2.33 H new ATOM 0 HG2 ARG A 96 -1.023 -7.493 7.915 1.00 2.25 H new ATOM 0 HG3 ARG A 96 0.026 -8.832 8.336 1.00 2.25 H new ATOM 0 HD2 ARG A 96 1.813 -7.325 9.030 1.00 43.02 H new ATOM 0 HD3 ARG A 96 0.980 -5.933 8.368 1.00 43.02 H new ATOM 0 HE ARG A 96 -0.719 -7.162 10.328 1.00 55.21 H new ATOM 0 HH11 ARG A 96 2.325 -5.312 10.164 1.00 13.41 H new ATOM 0 HH12 ARG A 96 2.109 -4.621 11.776 1.00 13.41 H new ATOM 0 HH21 ARG A 96 -0.958 -6.242 12.378 1.00 54.43 H new ATOM 0 HH22 ARG A 96 0.270 -5.142 13.015 1.00 54.43 H new ATOM 1584 N ARG A 97 -2.471 -9.308 6.163 1.00 12.11 N ATOM 1585 CA ARG A 97 -3.862 -9.044 6.496 1.00 45.20 C ATOM 1586 C ARG A 97 -3.906 -8.148 7.745 1.00 74.23 C ATOM 1587 O ARG A 97 -3.404 -8.531 8.810 1.00 1.44 O ATOM 1588 CB ARG A 97 -4.633 -10.379 6.670 1.00 53.22 C ATOM 1589 CG ARG A 97 -6.108 -10.253 7.165 1.00 60.12 C ATOM 1590 CD ARG A 97 -6.263 -10.491 8.673 1.00 52.21 C ATOM 1591 NE ARG A 97 -5.842 -11.852 9.048 1.00 52.04 N ATOM 1592 CZ ARG A 97 -4.716 -12.168 9.711 1.00 62.11 C ATOM 1593 NH1 ARG A 97 -3.868 -11.219 10.108 1.00 24.03 N ATOM 1594 NH2 ARG A 97 -4.437 -13.443 9.948 1.00 55.22 N ATOM 0 H ARG A 97 -2.145 -10.234 6.441 1.00 12.11 H new ATOM 0 HA ARG A 97 -4.363 -8.510 5.688 1.00 45.20 H new ATOM 0 HB2 ARG A 97 -4.634 -10.903 5.714 1.00 53.22 H new ATOM 0 HB3 ARG A 97 -4.085 -11.004 7.376 1.00 53.22 H new ATOM 0 HG2 ARG A 97 -6.483 -9.259 6.920 1.00 60.12 H new ATOM 0 HG3 ARG A 97 -6.728 -10.969 6.625 1.00 60.12 H new ATOM 0 HD2 ARG A 97 -5.668 -9.760 9.221 1.00 52.21 H new ATOM 0 HD3 ARG A 97 -7.303 -10.337 8.962 1.00 52.21 H new ATOM 0 HE ARG A 97 -6.458 -12.620 8.782 1.00 52.04 H new ATOM 0 HH11 ARG A 97 -4.070 -10.239 9.910 1.00 24.03 H new ATOM 0 HH12 ARG A 97 -3.017 -11.473 10.610 1.00 24.03 H new ATOM 0 HH21 ARG A 97 -5.074 -14.172 9.628 1.00 55.22 H new ATOM 0 HH22 ARG A 97 -3.585 -13.694 10.450 1.00 55.22 H new ATOM 1608 N ALA A 98 -4.512 -6.966 7.592 1.00 71.20 N ATOM 1609 CA ALA A 98 -4.529 -5.911 8.610 1.00 2.42 C ATOM 1610 C ALA A 98 -5.937 -5.310 8.633 1.00 23.44 C ATOM 1611 O ALA A 98 -6.337 -4.603 7.705 1.00 43.44 O ATOM 1612 CB ALA A 98 -3.455 -4.857 8.294 1.00 22.01 C ATOM 0 H ALA A 98 -5.014 -6.711 6.741 1.00 71.20 H new ATOM 0 HA ALA A 98 -4.295 -6.311 9.597 1.00 2.42 H new ATOM 0 HB1 ALA A 98 -3.475 -4.077 9.055 1.00 22.01 H new ATOM 0 HB2 ALA A 98 -2.473 -5.330 8.285 1.00 22.01 H new ATOM 0 HB3 ALA A 98 -3.655 -4.416 7.318 1.00 22.01 H new ATOM 1618 N GLN A 99 -6.688 -5.638 9.690 1.00 3.23 N ATOM 1619 CA GLN A 99 -8.129 -5.327 9.797 1.00 33.44 C ATOM 1620 C GLN A 99 -8.329 -4.004 10.532 1.00 45.20 C ATOM 1621 O GLN A 99 -9.107 -3.144 10.101 1.00 24.23 O ATOM 1622 CB GLN A 99 -8.871 -6.479 10.528 1.00 71.42 C ATOM 1623 CG GLN A 99 -8.556 -7.870 9.953 1.00 42.23 C ATOM 1624 CD GLN A 99 -9.353 -9.011 10.588 1.00 34.40 C ATOM 1625 OE1 GLN A 99 -8.952 -9.580 11.599 1.00 61.04 O ATOM 1626 NE2 GLN A 99 -10.460 -9.394 9.968 1.00 5.31 N ATOM 0 H GLN A 99 -6.317 -6.130 10.503 1.00 3.23 H new ATOM 0 HA GLN A 99 -8.546 -5.230 8.795 1.00 33.44 H new ATOM 0 HB2 GLN A 99 -8.603 -6.461 11.584 1.00 71.42 H new ATOM 0 HB3 GLN A 99 -9.945 -6.304 10.469 1.00 71.42 H new ATOM 0 HG2 GLN A 99 -8.751 -7.859 8.881 1.00 42.23 H new ATOM 0 HG3 GLN A 99 -7.492 -8.071 10.081 1.00 42.23 H new ATOM 0 HE21 GLN A 99 -10.771 -8.903 9.129 1.00 5.31 H new ATOM 0 HE22 GLN A 99 -11.001 -10.179 10.329 1.00 5.31 H new ATOM 1635 N ASP A 100 -7.614 -3.871 11.655 1.00 72.44 N ATOM 1636 CA ASP A 100 -7.644 -2.668 12.499 1.00 41.42 C ATOM 1637 C ASP A 100 -6.738 -1.581 11.893 1.00 10.34 C ATOM 1638 O ASP A 100 -5.686 -1.896 11.332 1.00 23.32 O ATOM 1639 CB ASP A 100 -7.174 -3.004 13.934 1.00 44.34 C ATOM 1640 CG ASP A 100 -7.956 -4.160 14.572 1.00 53.12 C ATOM 1641 OD1 ASP A 100 -7.546 -5.330 14.400 1.00 73.43 O ATOM 1642 OD2 ASP A 100 -8.984 -3.907 15.237 1.00 14.53 O ATOM 0 H ASP A 100 -6.993 -4.600 12.007 1.00 72.44 H new ATOM 0 HA ASP A 100 -8.668 -2.298 12.544 1.00 41.42 H new ATOM 0 HB2 ASP A 100 -6.115 -3.259 13.912 1.00 44.34 H new ATOM 0 HB3 ASP A 100 -7.275 -2.117 14.559 1.00 44.34 H new ATOM 1647 N LYS A 101 -7.149 -0.313 12.043 1.00 10.13 N ATOM 1648 CA LYS A 101 -6.395 0.862 11.553 1.00 43.35 C ATOM 1649 C LYS A 101 -5.045 1.014 12.277 1.00 52.23 C ATOM 1650 O LYS A 101 -4.072 1.524 11.702 1.00 22.11 O ATOM 1651 CB LYS A 101 -7.268 2.138 11.696 1.00 3.50 C ATOM 1652 CG LYS A 101 -7.766 2.406 13.129 1.00 30.45 C ATOM 1653 CD LYS A 101 -8.797 3.551 13.214 1.00 61.23 C ATOM 1654 CE LYS A 101 -9.382 3.686 14.627 1.00 71.22 C ATOM 1655 NZ LYS A 101 -10.394 4.780 14.716 1.00 31.21 N ATOM 0 H LYS A 101 -8.021 -0.067 12.511 1.00 10.13 H new ATOM 0 HA LYS A 101 -6.165 0.713 10.498 1.00 43.35 H new ATOM 0 HB2 LYS A 101 -6.692 2.999 11.357 1.00 3.50 H new ATOM 0 HB3 LYS A 101 -8.130 2.051 11.034 1.00 3.50 H new ATOM 0 HG2 LYS A 101 -8.212 1.495 13.527 1.00 30.45 H new ATOM 0 HG3 LYS A 101 -6.913 2.647 13.763 1.00 30.45 H new ATOM 0 HD2 LYS A 101 -8.323 4.489 12.925 1.00 61.23 H new ATOM 0 HD3 LYS A 101 -9.603 3.369 12.503 1.00 61.23 H new ATOM 0 HE2 LYS A 101 -9.843 2.742 14.919 1.00 71.22 H new ATOM 0 HE3 LYS A 101 -8.576 3.880 15.335 1.00 71.22 H new ATOM 0 HZ1 LYS A 101 -11.028 4.602 15.521 1.00 31.21 H new ATOM 0 HZ2 LYS A 101 -9.910 5.690 14.852 1.00 31.21 H new ATOM 0 HZ3 LYS A 101 -10.950 4.811 13.838 1.00 31.21 H new ATOM 1669 N GLU A 102 -5.003 0.541 13.534 1.00 1.41 N ATOM 1670 CA GLU A 102 -3.764 0.460 14.326 1.00 72.13 C ATOM 1671 C GLU A 102 -2.795 -0.568 13.699 1.00 21.21 C ATOM 1672 O GLU A 102 -1.606 -0.293 13.571 1.00 22.11 O ATOM 1673 CB GLU A 102 -4.076 0.127 15.819 1.00 42.53 C ATOM 1674 CG GLU A 102 -4.941 -1.127 16.028 1.00 21.25 C ATOM 1675 CD GLU A 102 -5.265 -1.419 17.501 1.00 12.15 C ATOM 1676 OE1 GLU A 102 -4.426 -2.026 18.191 1.00 61.44 O ATOM 1677 OE2 GLU A 102 -6.361 -1.044 17.972 1.00 60.43 O ATOM 0 H GLU A 102 -5.828 0.204 14.030 1.00 1.41 H new ATOM 0 HA GLU A 102 -3.274 1.434 14.311 1.00 72.13 H new ATOM 0 HB2 GLU A 102 -3.135 -0.004 16.353 1.00 42.53 H new ATOM 0 HB3 GLU A 102 -4.582 0.981 16.270 1.00 42.53 H new ATOM 0 HG2 GLU A 102 -5.874 -1.009 15.477 1.00 21.25 H new ATOM 0 HG3 GLU A 102 -4.426 -1.988 15.602 1.00 21.25 H new ATOM 1684 N GLU A 103 -3.341 -1.717 13.254 1.00 52.12 N ATOM 1685 CA GLU A 103 -2.568 -2.799 12.600 1.00 14.41 C ATOM 1686 C GLU A 103 -2.028 -2.380 11.219 1.00 10.32 C ATOM 1687 O GLU A 103 -0.952 -2.833 10.807 1.00 32.30 O ATOM 1688 CB GLU A 103 -3.461 -4.062 12.473 1.00 54.03 C ATOM 1689 CG GLU A 103 -3.820 -4.732 13.818 1.00 41.13 C ATOM 1690 CD GLU A 103 -2.655 -5.535 14.427 1.00 42.02 C ATOM 1691 OE1 GLU A 103 -2.618 -6.770 14.245 1.00 12.35 O ATOM 1692 OE2 GLU A 103 -1.764 -4.938 15.068 1.00 73.53 O ATOM 0 H GLU A 103 -4.336 -1.925 13.337 1.00 52.12 H new ATOM 0 HA GLU A 103 -1.701 -3.018 13.223 1.00 14.41 H new ATOM 0 HB2 GLU A 103 -4.383 -3.789 11.960 1.00 54.03 H new ATOM 0 HB3 GLU A 103 -2.950 -4.791 11.844 1.00 54.03 H new ATOM 0 HG2 GLU A 103 -4.133 -3.965 14.526 1.00 41.13 H new ATOM 0 HG3 GLU A 103 -4.672 -5.396 13.670 1.00 41.13 H new ATOM 1699 N VAL A 104 -2.780 -1.519 10.514 1.00 44.33 N ATOM 1700 CA VAL A 104 -2.397 -1.033 9.180 1.00 21.02 C ATOM 1701 C VAL A 104 -1.229 -0.041 9.277 1.00 21.00 C ATOM 1702 O VAL A 104 -0.197 -0.239 8.630 1.00 61.32 O ATOM 1703 CB VAL A 104 -3.613 -0.376 8.437 1.00 35.15 C ATOM 1704 CG1 VAL A 104 -3.188 0.257 7.092 1.00 21.22 C ATOM 1705 CG2 VAL A 104 -4.740 -1.411 8.229 1.00 12.14 C ATOM 0 H VAL A 104 -3.666 -1.142 10.851 1.00 44.33 H new ATOM 0 HA VAL A 104 -2.074 -1.895 8.597 1.00 21.02 H new ATOM 0 HB VAL A 104 -3.992 0.429 9.066 1.00 35.15 H new ATOM 0 HG11 VAL A 104 -4.058 0.701 6.608 1.00 21.22 H new ATOM 0 HG12 VAL A 104 -2.440 1.029 7.273 1.00 21.22 H new ATOM 0 HG13 VAL A 104 -2.766 -0.512 6.445 1.00 21.22 H new ATOM 0 HG21 VAL A 104 -5.576 -0.940 7.712 1.00 12.14 H new ATOM 0 HG22 VAL A 104 -4.365 -2.241 7.631 1.00 12.14 H new ATOM 0 HG23 VAL A 104 -5.075 -1.783 9.197 1.00 12.14 H new ATOM 1715 N LYS A 105 -1.386 1.012 10.109 1.00 74.12 N ATOM 1716 CA LYS A 105 -0.340 2.048 10.263 1.00 62.42 C ATOM 1717 C LYS A 105 0.927 1.457 10.918 1.00 13.12 C ATOM 1718 O LYS A 105 2.035 1.939 10.676 1.00 50.34 O ATOM 1719 CB LYS A 105 -0.865 3.286 11.046 1.00 44.13 C ATOM 1720 CG LYS A 105 -1.285 3.022 12.506 1.00 13.41 C ATOM 1721 CD LYS A 105 -1.867 4.284 13.186 1.00 52.35 C ATOM 1722 CE LYS A 105 -2.318 4.040 14.636 1.00 25.50 C ATOM 1723 NZ LYS A 105 -2.954 5.253 15.224 1.00 51.53 N ATOM 0 H LYS A 105 -2.218 1.167 10.679 1.00 74.12 H new ATOM 0 HA LYS A 105 -0.070 2.396 9.266 1.00 62.42 H new ATOM 0 HB2 LYS A 105 -0.089 4.051 11.043 1.00 44.13 H new ATOM 0 HB3 LYS A 105 -1.720 3.697 10.509 1.00 44.13 H new ATOM 0 HG2 LYS A 105 -2.027 2.224 12.530 1.00 13.41 H new ATOM 0 HG3 LYS A 105 -0.422 2.672 13.072 1.00 13.41 H new ATOM 0 HD2 LYS A 105 -1.116 5.074 13.174 1.00 52.35 H new ATOM 0 HD3 LYS A 105 -2.716 4.643 12.604 1.00 52.35 H new ATOM 0 HE2 LYS A 105 -3.023 3.209 14.663 1.00 25.50 H new ATOM 0 HE3 LYS A 105 -1.459 3.749 15.241 1.00 25.50 H new ATOM 0 HZ1 LYS A 105 -2.999 5.155 16.258 1.00 51.53 H new ATOM 0 HZ2 LYS A 105 -2.391 6.093 14.980 1.00 51.53 H new ATOM 0 HZ3 LYS A 105 -3.916 5.359 14.844 1.00 51.53 H new ATOM 1737 N ASP A 106 0.734 0.421 11.759 1.00 43.30 N ATOM 1738 CA ASP A 106 1.825 -0.414 12.303 1.00 45.35 C ATOM 1739 C ASP A 106 2.593 -1.128 11.177 1.00 23.43 C ATOM 1740 O ASP A 106 3.822 -1.090 11.145 1.00 63.15 O ATOM 1741 CB ASP A 106 1.233 -1.452 13.293 1.00 51.04 C ATOM 1742 CG ASP A 106 2.273 -2.410 13.895 1.00 13.24 C ATOM 1743 OD1 ASP A 106 2.911 -2.050 14.907 1.00 74.31 O ATOM 1744 OD2 ASP A 106 2.446 -3.535 13.370 1.00 65.30 O ATOM 0 H ASP A 106 -0.191 0.138 12.083 1.00 43.30 H new ATOM 0 HA ASP A 106 2.530 0.231 12.828 1.00 45.35 H new ATOM 0 HB2 ASP A 106 0.732 -0.921 14.103 1.00 51.04 H new ATOM 0 HB3 ASP A 106 0.472 -2.037 12.777 1.00 51.04 H new ATOM 1749 N ALA A 107 1.845 -1.752 10.244 1.00 24.21 N ATOM 1750 CA ALA A 107 2.423 -2.512 9.112 1.00 31.42 C ATOM 1751 C ALA A 107 3.230 -1.596 8.179 1.00 22.12 C ATOM 1752 O ALA A 107 4.262 -2.004 7.636 1.00 52.20 O ATOM 1753 CB ALA A 107 1.312 -3.224 8.331 1.00 13.30 C ATOM 0 H ALA A 107 0.825 -1.744 10.252 1.00 24.21 H new ATOM 0 HA ALA A 107 3.105 -3.258 9.519 1.00 31.42 H new ATOM 0 HB1 ALA A 107 1.749 -3.779 7.501 1.00 13.30 H new ATOM 0 HB2 ALA A 107 0.787 -3.913 8.992 1.00 13.30 H new ATOM 0 HB3 ALA A 107 0.609 -2.486 7.944 1.00 13.30 H new ATOM 1759 N VAL A 108 2.740 -0.353 8.023 1.00 51.30 N ATOM 1760 CA VAL A 108 3.414 0.694 7.241 1.00 33.04 C ATOM 1761 C VAL A 108 4.752 1.066 7.915 1.00 22.25 C ATOM 1762 O VAL A 108 5.824 0.892 7.325 1.00 51.32 O ATOM 1763 CB VAL A 108 2.499 1.969 7.106 1.00 0.43 C ATOM 1764 CG1 VAL A 108 3.232 3.137 6.400 1.00 52.01 C ATOM 1765 CG2 VAL A 108 1.185 1.615 6.376 1.00 21.43 C ATOM 0 H VAL A 108 1.860 -0.047 8.439 1.00 51.30 H new ATOM 0 HA VAL A 108 3.610 0.310 6.240 1.00 33.04 H new ATOM 0 HB VAL A 108 2.256 2.309 8.113 1.00 0.43 H new ATOM 0 HG11 VAL A 108 2.564 3.995 6.328 1.00 52.01 H new ATOM 0 HG12 VAL A 108 4.116 3.412 6.975 1.00 52.01 H new ATOM 0 HG13 VAL A 108 3.532 2.826 5.399 1.00 52.01 H new ATOM 0 HG21 VAL A 108 0.564 2.507 6.291 1.00 21.43 H new ATOM 0 HG22 VAL A 108 1.413 1.235 5.380 1.00 21.43 H new ATOM 0 HG23 VAL A 108 0.649 0.852 6.941 1.00 21.43 H new ATOM 1775 N GLU A 109 4.638 1.520 9.179 1.00 42.14 N ATOM 1776 CA GLU A 109 5.760 1.956 10.040 1.00 52.44 C ATOM 1777 C GLU A 109 6.917 0.935 10.027 1.00 24.40 C ATOM 1778 O GLU A 109 8.084 1.288 9.804 1.00 43.15 O ATOM 1779 CB GLU A 109 5.234 2.113 11.490 1.00 11.20 C ATOM 1780 CG GLU A 109 6.265 2.614 12.517 1.00 41.42 C ATOM 1781 CD GLU A 109 5.791 2.429 13.969 1.00 12.23 C ATOM 1782 OE1 GLU A 109 6.138 1.410 14.595 1.00 73.41 O ATOM 1783 OE2 GLU A 109 5.055 3.291 14.481 1.00 54.51 O ATOM 0 H GLU A 109 3.734 1.596 9.645 1.00 42.14 H new ATOM 0 HA GLU A 109 6.145 2.902 9.658 1.00 52.44 H new ATOM 0 HB2 GLU A 109 4.392 2.805 11.480 1.00 11.20 H new ATOM 0 HB3 GLU A 109 4.851 1.149 11.826 1.00 11.20 H new ATOM 0 HG2 GLU A 109 7.204 2.079 12.374 1.00 41.42 H new ATOM 0 HG3 GLU A 109 6.469 3.670 12.337 1.00 41.42 H new ATOM 1790 N GLU A 110 6.525 -0.328 10.234 1.00 31.23 N ATOM 1791 CA GLU A 110 7.414 -1.488 10.304 1.00 20.14 C ATOM 1792 C GLU A 110 8.150 -1.704 8.976 1.00 30.43 C ATOM 1793 O GLU A 110 9.371 -1.785 8.960 1.00 32.11 O ATOM 1794 CB GLU A 110 6.570 -2.736 10.673 1.00 11.15 C ATOM 1795 CG GLU A 110 7.354 -4.054 10.730 1.00 73.41 C ATOM 1796 CD GLU A 110 6.481 -5.231 11.165 1.00 62.43 C ATOM 1797 OE1 GLU A 110 6.394 -5.510 12.381 1.00 11.11 O ATOM 1798 OE2 GLU A 110 5.879 -5.893 10.298 1.00 22.35 O ATOM 0 H GLU A 110 5.544 -0.576 10.362 1.00 31.23 H new ATOM 0 HA GLU A 110 8.173 -1.316 11.067 1.00 20.14 H new ATOM 0 HB2 GLU A 110 6.103 -2.566 11.643 1.00 11.15 H new ATOM 0 HB3 GLU A 110 5.765 -2.840 9.945 1.00 11.15 H new ATOM 0 HG2 GLU A 110 7.780 -4.264 9.749 1.00 73.41 H new ATOM 0 HG3 GLU A 110 8.188 -3.948 11.423 1.00 73.41 H new ATOM 1805 N PHE A 111 7.384 -1.724 7.870 1.00 45.30 N ATOM 1806 CA PHE A 111 7.903 -1.949 6.494 1.00 42.31 C ATOM 1807 C PHE A 111 8.985 -0.914 6.126 1.00 23.14 C ATOM 1808 O PHE A 111 9.939 -1.218 5.399 1.00 53.30 O ATOM 1809 CB PHE A 111 6.710 -1.865 5.504 1.00 33.34 C ATOM 1810 CG PHE A 111 6.991 -2.248 4.048 1.00 13.21 C ATOM 1811 CD1 PHE A 111 7.058 -3.585 3.664 1.00 45.11 C ATOM 1812 CD2 PHE A 111 7.132 -1.275 3.051 1.00 54.40 C ATOM 1813 CE1 PHE A 111 7.255 -3.933 2.344 1.00 21.11 C ATOM 1814 CE2 PHE A 111 7.338 -1.631 1.730 1.00 32.32 C ATOM 1815 CZ PHE A 111 7.395 -2.960 1.379 1.00 54.24 C ATOM 0 H PHE A 111 6.374 -1.583 7.899 1.00 45.30 H new ATOM 0 HA PHE A 111 8.369 -2.933 6.440 1.00 42.31 H new ATOM 0 HB2 PHE A 111 5.914 -2.509 5.877 1.00 33.34 H new ATOM 0 HB3 PHE A 111 6.328 -0.844 5.519 1.00 33.34 H new ATOM 0 HD1 PHE A 111 6.954 -4.359 4.410 1.00 45.11 H new ATOM 0 HD2 PHE A 111 7.079 -0.230 3.317 1.00 54.40 H new ATOM 0 HE1 PHE A 111 7.300 -4.975 2.065 1.00 21.11 H new ATOM 0 HE2 PHE A 111 7.454 -0.867 0.976 1.00 32.32 H new ATOM 0 HZ PHE A 111 7.549 -3.240 0.347 1.00 54.24 H new ATOM 1825 N LEU A 112 8.821 0.304 6.670 1.00 51.32 N ATOM 1826 CA LEU A 112 9.740 1.434 6.446 1.00 13.25 C ATOM 1827 C LEU A 112 11.020 1.305 7.308 1.00 32.33 C ATOM 1828 O LEU A 112 12.121 1.606 6.830 1.00 73.43 O ATOM 1829 CB LEU A 112 8.985 2.752 6.746 1.00 11.31 C ATOM 1830 CG LEU A 112 7.674 2.953 5.922 1.00 4.30 C ATOM 1831 CD1 LEU A 112 6.830 4.111 6.467 1.00 14.43 C ATOM 1832 CD2 LEU A 112 7.961 3.125 4.420 1.00 2.20 C ATOM 0 H LEU A 112 8.039 0.534 7.284 1.00 51.32 H new ATOM 0 HA LEU A 112 10.068 1.433 5.407 1.00 13.25 H new ATOM 0 HB2 LEU A 112 8.739 2.781 7.808 1.00 11.31 H new ATOM 0 HB3 LEU A 112 9.653 3.591 6.551 1.00 11.31 H new ATOM 0 HG LEU A 112 7.087 2.042 6.037 1.00 4.30 H new ATOM 0 HD11 LEU A 112 5.927 4.217 5.866 1.00 14.43 H new ATOM 0 HD12 LEU A 112 6.555 3.905 7.502 1.00 14.43 H new ATOM 0 HD13 LEU A 112 7.407 5.035 6.422 1.00 14.43 H new ATOM 0 HD21 LEU A 112 7.022 3.262 3.884 1.00 2.20 H new ATOM 0 HD22 LEU A 112 8.596 3.998 4.269 1.00 2.20 H new ATOM 0 HD23 LEU A 112 8.468 2.237 4.043 1.00 2.20 H new ATOM 1844 N LYS A 113 10.874 0.842 8.572 1.00 32.41 N ATOM 1845 CA LYS A 113 12.027 0.604 9.480 1.00 52.12 C ATOM 1846 C LYS A 113 12.840 -0.637 9.033 1.00 21.22 C ATOM 1847 O LYS A 113 14.052 -0.716 9.256 1.00 63.55 O ATOM 1848 CB LYS A 113 11.544 0.425 10.953 1.00 22.12 C ATOM 1849 CG LYS A 113 10.837 1.662 11.558 1.00 35.53 C ATOM 1850 CD LYS A 113 10.522 1.503 13.065 1.00 53.12 C ATOM 1851 CE LYS A 113 9.722 2.687 13.644 1.00 64.44 C ATOM 1852 NZ LYS A 113 10.350 4.015 13.380 1.00 23.33 N ATOM 0 H LYS A 113 9.969 0.625 8.989 1.00 32.41 H new ATOM 0 HA LYS A 113 12.676 1.479 9.428 1.00 52.12 H new ATOM 0 HB2 LYS A 113 10.861 -0.424 10.996 1.00 22.12 H new ATOM 0 HB3 LYS A 113 12.404 0.175 11.575 1.00 22.12 H new ATOM 0 HG2 LYS A 113 11.467 2.540 11.415 1.00 35.53 H new ATOM 0 HG3 LYS A 113 9.909 1.844 11.016 1.00 35.53 H new ATOM 0 HD2 LYS A 113 9.958 0.582 13.217 1.00 53.12 H new ATOM 0 HD3 LYS A 113 11.456 1.399 13.616 1.00 53.12 H new ATOM 0 HE2 LYS A 113 8.718 2.678 13.221 1.00 64.44 H new ATOM 0 HE3 LYS A 113 9.616 2.552 14.720 1.00 64.44 H new ATOM 0 HZ1 LYS A 113 9.894 4.738 13.972 1.00 23.33 H new ATOM 0 HZ2 LYS A 113 11.364 3.971 13.607 1.00 23.33 H new ATOM 0 HZ3 LYS A 113 10.230 4.262 12.377 1.00 23.33 H new ATOM 1866 N GLU A 114 12.143 -1.584 8.383 1.00 31.42 N ATOM 1867 CA GLU A 114 12.734 -2.823 7.844 1.00 2.12 C ATOM 1868 C GLU A 114 13.177 -2.638 6.376 1.00 54.41 C ATOM 1869 O GLU A 114 13.542 -3.612 5.700 1.00 13.24 O ATOM 1870 CB GLU A 114 11.706 -3.983 7.968 1.00 52.43 C ATOM 1871 CG GLU A 114 11.242 -4.310 9.410 1.00 43.31 C ATOM 1872 CD GLU A 114 12.348 -4.894 10.310 1.00 12.32 C ATOM 1873 OE1 GLU A 114 13.195 -4.127 10.820 1.00 64.24 O ATOM 1874 OE2 GLU A 114 12.383 -6.123 10.508 1.00 75.01 O ATOM 0 H GLU A 114 11.140 -1.511 8.214 1.00 31.42 H new ATOM 0 HA GLU A 114 13.624 -3.069 8.424 1.00 2.12 H new ATOM 0 HB2 GLU A 114 10.829 -3.734 7.370 1.00 52.43 H new ATOM 0 HB3 GLU A 114 12.144 -4.881 7.533 1.00 52.43 H new ATOM 0 HG2 GLU A 114 10.856 -3.401 9.871 1.00 43.31 H new ATOM 0 HG3 GLU A 114 10.415 -5.019 9.362 1.00 43.31 H new ATOM 1881 N GLY A 115 13.120 -1.383 5.886 1.00 51.43 N ATOM 1882 CA GLY A 115 13.600 -1.028 4.550 1.00 1.11 C ATOM 1883 C GLY A 115 12.536 -1.196 3.480 1.00 60.31 C ATOM 1884 O GLY A 115 12.104 -0.219 2.860 1.00 0.53 O ATOM 0 H GLY A 115 12.740 -0.595 6.410 1.00 51.43 H new ATOM 0 HA2 GLY A 115 13.944 0.006 4.555 1.00 1.11 H new ATOM 0 HA3 GLY A 115 14.461 -1.649 4.301 1.00 1.11 H new ATOM 1888 N GLY A 116 12.120 -2.451 3.269 1.00 34.42 N ATOM 1889 CA GLY A 116 11.101 -2.774 2.276 1.00 33.12 C ATOM 1890 C GLY A 116 10.733 -4.244 2.298 1.00 14.11 C ATOM 1891 O GLY A 116 10.590 -4.874 1.241 1.00 71.13 O ATOM 0 H GLY A 116 12.478 -3.259 3.778 1.00 34.42 H new ATOM 0 HA2 GLY A 116 10.210 -2.174 2.462 1.00 33.12 H new ATOM 0 HA3 GLY A 116 11.464 -2.506 1.284 1.00 33.12 H new ATOM 1895 N SER A 117 10.556 -4.787 3.517 1.00 42.12 N ATOM 1896 CA SER A 117 10.203 -6.197 3.731 1.00 54.23 C ATOM 1897 C SER A 117 9.590 -6.374 5.125 1.00 12.42 C ATOM 1898 O SER A 117 10.148 -5.878 6.099 1.00 53.30 O ATOM 1899 CB SER A 117 11.463 -7.091 3.576 1.00 5.54 C ATOM 1900 OG SER A 117 12.520 -6.662 4.436 1.00 22.01 O ATOM 0 H SER A 117 10.655 -4.256 4.382 1.00 42.12 H new ATOM 0 HA SER A 117 9.469 -6.499 2.984 1.00 54.23 H new ATOM 0 HB2 SER A 117 11.206 -8.126 3.802 1.00 5.54 H new ATOM 0 HB3 SER A 117 11.803 -7.066 2.541 1.00 5.54 H new ATOM 0 HG SER A 117 12.148 -6.387 5.300 1.00 22.01 H new ATOM 1906 N LEU A 118 8.441 -7.070 5.217 1.00 23.05 N ATOM 1907 CA LEU A 118 7.857 -7.452 6.523 1.00 73.12 C ATOM 1908 C LEU A 118 8.590 -8.656 7.123 1.00 42.02 C ATOM 1909 O LEU A 118 8.373 -8.983 8.296 1.00 33.04 O ATOM 1910 CB LEU A 118 6.352 -7.778 6.423 1.00 41.22 C ATOM 1911 CG LEU A 118 5.394 -6.605 6.073 1.00 63.03 C ATOM 1912 CD1 LEU A 118 3.940 -7.083 6.179 1.00 24.35 C ATOM 1913 CD2 LEU A 118 5.639 -5.357 6.956 1.00 71.00 C ATOM 0 H LEU A 118 7.899 -7.379 4.410 1.00 23.05 H new ATOM 0 HA LEU A 118 7.977 -6.586 7.174 1.00 73.12 H new ATOM 0 HB2 LEU A 118 6.224 -8.555 5.670 1.00 41.22 H new ATOM 0 HB3 LEU A 118 6.034 -8.202 7.376 1.00 41.22 H new ATOM 0 HG LEU A 118 5.599 -6.297 5.048 1.00 63.03 H new ATOM 0 HD11 LEU A 118 3.268 -6.261 5.934 1.00 24.35 H new ATOM 0 HD12 LEU A 118 3.776 -7.906 5.483 1.00 24.35 H new ATOM 0 HD13 LEU A 118 3.742 -7.423 7.196 1.00 24.35 H new ATOM 0 HD21 LEU A 118 4.944 -4.567 6.671 1.00 71.00 H new ATOM 0 HD22 LEU A 118 5.484 -5.616 8.003 1.00 71.00 H new ATOM 0 HD23 LEU A 118 6.662 -5.008 6.817 1.00 71.00 H new ATOM 1925 N GLU A 119 9.399 -9.355 6.291 1.00 52.44 N ATOM 1926 CA GLU A 119 10.286 -10.419 6.776 1.00 72.52 C ATOM 1927 C GLU A 119 11.243 -9.814 7.814 1.00 54.43 C ATOM 1928 O GLU A 119 12.176 -9.078 7.465 1.00 61.52 O ATOM 1929 CB GLU A 119 11.058 -11.101 5.613 1.00 21.14 C ATOM 1930 CG GLU A 119 11.964 -12.279 6.050 1.00 73.40 C ATOM 1931 CD GLU A 119 11.210 -13.395 6.812 1.00 34.13 C ATOM 1932 OE1 GLU A 119 10.503 -14.203 6.166 1.00 64.23 O ATOM 1933 OE2 GLU A 119 11.320 -13.471 8.062 1.00 52.34 O ATOM 0 H GLU A 119 9.450 -9.195 5.285 1.00 52.44 H new ATOM 0 HA GLU A 119 9.690 -11.204 7.242 1.00 72.52 H new ATOM 0 HB2 GLU A 119 10.338 -11.465 4.880 1.00 21.14 H new ATOM 0 HB3 GLU A 119 11.672 -10.352 5.113 1.00 21.14 H new ATOM 0 HG2 GLU A 119 12.436 -12.710 5.167 1.00 73.40 H new ATOM 0 HG3 GLU A 119 12.763 -11.895 6.684 1.00 73.40 H new ATOM 1940 N HIS A 120 10.945 -10.101 9.088 1.00 44.13 N ATOM 1941 CA HIS A 120 11.544 -9.409 10.234 1.00 63.21 C ATOM 1942 C HIS A 120 13.025 -9.748 10.379 1.00 62.50 C ATOM 1943 O HIS A 120 13.447 -10.880 10.110 1.00 34.22 O ATOM 1944 CB HIS A 120 10.775 -9.756 11.528 1.00 52.45 C ATOM 1945 CG HIS A 120 9.328 -9.345 11.490 1.00 64.41 C ATOM 1946 ND1 HIS A 120 8.292 -10.241 11.346 1.00 52.40 N ATOM 1947 CD2 HIS A 120 8.750 -8.125 11.590 1.00 15.14 C ATOM 1948 CE1 HIS A 120 7.146 -9.595 11.361 1.00 64.04 C ATOM 1949 NE2 HIS A 120 7.397 -8.315 11.509 1.00 65.52 N ATOM 0 H HIS A 120 10.277 -10.825 9.353 1.00 44.13 H new ATOM 0 HA HIS A 120 11.469 -8.336 10.057 1.00 63.21 H new ATOM 0 HB2 HIS A 120 10.836 -10.830 11.701 1.00 52.45 H new ATOM 0 HB3 HIS A 120 11.262 -9.269 12.373 1.00 52.45 H new ATOM 0 HD1 HIS A 120 8.397 -11.250 11.243 1.00 52.40 H new ATOM 0 HD2 HIS A 120 9.260 -7.181 11.711 1.00 15.14 H new ATOM 0 HE1 HIS A 120 6.167 -10.041 11.268 1.00 64.04 H new ATOM 1958 N HIS A 121 13.804 -8.750 10.813 1.00 21.01 N ATOM 1959 CA HIS A 121 15.242 -8.890 11.061 1.00 53.24 C ATOM 1960 C HIS A 121 15.459 -9.474 12.466 1.00 11.31 C ATOM 1961 O HIS A 121 16.014 -8.828 13.366 1.00 12.02 O ATOM 1962 CB HIS A 121 15.945 -7.522 10.862 1.00 61.20 C ATOM 1963 CG HIS A 121 15.850 -6.999 9.451 1.00 54.42 C ATOM 1964 ND1 HIS A 121 15.227 -5.817 9.116 1.00 12.34 N ATOM 1965 CD2 HIS A 121 16.307 -7.514 8.282 1.00 60.14 C ATOM 1966 CE1 HIS A 121 15.302 -5.631 7.814 1.00 74.41 C ATOM 1967 NE2 HIS A 121 15.953 -6.643 7.283 1.00 63.15 N ATOM 0 H HIS A 121 13.449 -7.813 11.004 1.00 21.01 H new ATOM 0 HA HIS A 121 15.689 -9.582 10.347 1.00 53.24 H new ATOM 0 HB2 HIS A 121 15.504 -6.793 11.542 1.00 61.20 H new ATOM 0 HB3 HIS A 121 16.996 -7.619 11.136 1.00 61.20 H new ATOM 0 HD2 HIS A 121 16.850 -8.440 8.160 1.00 60.14 H new ATOM 0 HE1 HIS A 121 14.897 -4.789 7.273 1.00 74.41 H new ATOM 0 HE2 HIS A 121 16.161 -6.761 6.291 1.00 63.15 H new ATOM 1976 N HIS A 122 14.976 -10.716 12.637 1.00 43.45 N ATOM 1977 CA HIS A 122 15.004 -11.429 13.913 1.00 44.15 C ATOM 1978 C HIS A 122 16.289 -12.262 13.995 1.00 44.24 C ATOM 1979 O HIS A 122 16.279 -13.480 13.787 1.00 45.54 O ATOM 1980 CB HIS A 122 13.729 -12.304 14.070 1.00 13.03 C ATOM 1981 CG HIS A 122 13.553 -12.912 15.443 1.00 42.04 C ATOM 1982 ND1 HIS A 122 13.887 -14.216 15.748 1.00 20.31 N ATOM 1983 CD2 HIS A 122 13.073 -12.375 16.592 1.00 4.10 C ATOM 1984 CE1 HIS A 122 13.621 -14.448 17.019 1.00 61.45 C ATOM 1985 NE2 HIS A 122 13.130 -13.350 17.550 1.00 40.21 N ATOM 0 H HIS A 122 14.552 -11.254 11.881 1.00 43.45 H new ATOM 0 HA HIS A 122 15.006 -10.718 14.739 1.00 44.15 H new ATOM 0 HB2 HIS A 122 12.855 -11.695 13.841 1.00 13.03 H new ATOM 0 HB3 HIS A 122 13.761 -13.106 13.332 1.00 13.03 H new ATOM 0 HD2 HIS A 122 12.713 -11.366 16.726 1.00 4.10 H new ATOM 0 HE1 HIS A 122 13.780 -15.383 17.536 1.00 61.45 H new ATOM 0 HE2 HIS A 122 12.838 -13.242 18.521 1.00 40.21 H new ATOM 1994 N HIS A 123 17.411 -11.564 14.214 1.00 23.34 N ATOM 1995 CA HIS A 123 18.732 -12.197 14.383 1.00 72.11 C ATOM 1996 C HIS A 123 19.040 -12.419 15.873 1.00 34.40 C ATOM 1997 O HIS A 123 19.856 -13.282 16.211 1.00 50.14 O ATOM 1998 CB HIS A 123 19.856 -11.391 13.675 1.00 51.31 C ATOM 1999 CG HIS A 123 19.995 -9.947 14.091 1.00 11.41 C ATOM 2000 ND1 HIS A 123 20.940 -9.507 14.996 1.00 2.10 N ATOM 2001 CD2 HIS A 123 19.312 -8.840 13.702 1.00 54.11 C ATOM 2002 CE1 HIS A 123 20.836 -8.200 15.137 1.00 70.13 C ATOM 2003 NE2 HIS A 123 19.857 -7.770 14.365 1.00 75.11 N ATOM 0 H HIS A 123 17.432 -10.546 14.279 1.00 23.34 H new ATOM 0 HA HIS A 123 18.698 -13.173 13.899 1.00 72.11 H new ATOM 0 HB2 HIS A 123 20.806 -11.894 13.856 1.00 51.31 H new ATOM 0 HB3 HIS A 123 19.678 -11.424 12.600 1.00 51.31 H new ATOM 0 HD2 HIS A 123 18.492 -8.808 13.000 1.00 54.11 H new ATOM 0 HE1 HIS A 123 21.450 -7.584 15.778 1.00 70.13 H new ATOM 0 HE2 HIS A 123 19.554 -6.800 14.276 1.00 75.11 H new ATOM 2012 N HIS A 124 18.371 -11.651 16.762 1.00 1.23 N ATOM 2013 CA HIS A 124 18.465 -11.869 18.219 1.00 34.51 C ATOM 2014 C HIS A 124 17.746 -13.176 18.596 1.00 22.41 C ATOM 2015 O HIS A 124 16.547 -13.344 18.326 1.00 22.41 O ATOM 2016 CB HIS A 124 17.883 -10.680 19.027 1.00 55.21 C ATOM 2017 CG HIS A 124 17.884 -10.870 20.533 1.00 32.25 C ATOM 2018 ND1 HIS A 124 19.012 -10.703 21.310 1.00 74.24 N ATOM 2019 CD2 HIS A 124 16.891 -11.219 21.398 1.00 44.01 C ATOM 2020 CE1 HIS A 124 18.715 -10.943 22.575 1.00 22.41 C ATOM 2021 NE2 HIS A 124 17.440 -11.252 22.654 1.00 23.11 N ATOM 0 H HIS A 124 17.762 -10.877 16.495 1.00 1.23 H new ATOM 0 HA HIS A 124 19.521 -11.945 18.477 1.00 34.51 H new ATOM 0 HB2 HIS A 124 18.454 -9.783 18.788 1.00 55.21 H new ATOM 0 HB3 HIS A 124 16.859 -10.503 18.698 1.00 55.21 H new ATOM 0 HD2 HIS A 124 15.863 -11.430 21.142 1.00 44.01 H new ATOM 0 HE1 HIS A 124 19.404 -10.894 23.405 1.00 22.41 H new ATOM 0 HE2 HIS A 124 16.939 -11.480 23.513 1.00 23.11 H new ATOM 2030 N HIS A 125 18.507 -14.102 19.194 1.00 3.04 N ATOM 2031 CA HIS A 125 17.997 -15.386 19.693 1.00 10.11 C ATOM 2032 C HIS A 125 18.599 -15.633 21.096 1.00 50.35 C ATOM 2033 O HIS A 125 19.686 -16.246 21.203 1.00 11.15 O ATOM 2034 CB HIS A 125 18.347 -16.540 18.703 1.00 72.31 C ATOM 2035 CG HIS A 125 17.638 -16.451 17.385 1.00 41.51 C ATOM 2036 ND1 HIS A 125 18.160 -15.803 16.290 1.00 13.33 N ATOM 2037 CD2 HIS A 125 16.435 -16.931 16.992 1.00 34.13 C ATOM 2038 CE1 HIS A 125 17.311 -15.882 15.292 1.00 24.52 C ATOM 2039 NE2 HIS A 125 16.256 -16.562 15.687 1.00 1.11 N ATOM 2040 OXT HIS A 125 18.008 -15.164 22.088 1.00 37.69 O ATOM 0 H HIS A 125 19.508 -13.979 19.347 1.00 3.04 H new ATOM 0 HA HIS A 125 16.910 -15.357 19.769 1.00 10.11 H new ATOM 0 HB2 HIS A 125 19.423 -16.539 18.526 1.00 72.31 H new ATOM 0 HB3 HIS A 125 18.102 -17.493 19.172 1.00 72.31 H new ATOM 0 HD1 HIS A 125 19.065 -15.334 16.258 1.00 13.33 H new ATOM 0 HD2 HIS A 125 15.744 -17.500 17.597 1.00 34.13 H new ATOM 0 HE1 HIS A 125 17.455 -15.459 14.309 1.00 24.52 H new TER 2049 HIS A 125