USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 834 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 35 LYS NZ :NH3+ 164:sc= 0.675 (180deg=0.54) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 TYR OH : rot -29:sc= -0.227 USER MOD Set 2.2: A 70 SER OG : rot 76:sc= 1.34 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.8!) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0.654 (180deg=0.617) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot -150:sc= -0.739 USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= 1.15 (180deg=0.539) USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= -1.38! (180deg=-3.26!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0.0415 X(o=0.042,f=-0.17) USER MOD Single : A 24 MET CE :methyl -156:sc= -0.388 (180deg=-0.709) USER MOD Single : A 30 ASN : amide:sc= -2.17! K(o=-2.2!,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0485 X(o=-0.049,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0181) USER MOD Single : A 38 MET CE :methyl 175:sc= -1.57 (180deg=-1.64) USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= 0.467 (180deg=-0.204) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -0.0984 (180deg=-0.49) USER MOD Single : A 59 HIS : no HD1:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00168 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 133:sc= 0.837 (180deg=-0.406) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -132:sc= -2.61 (180deg=-4.87!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.04) USER MOD Single : A 102 GLN : amide:sc= 0.844 K(o=0.84,f=-6.9!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= 0.479 X(o=0.48,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.458 -15.475 2.183 1.00 44.45 N ATOM 2 CA ALA A 1 -16.287 -14.431 3.219 1.00 24.12 C ATOM 3 C ALA A 1 -15.124 -13.490 2.847 1.00 60.14 C ATOM 4 O ALA A 1 -13.956 -13.797 3.113 1.00 64.43 O ATOM 5 CB ALA A 1 -16.082 -15.075 4.608 1.00 10.21 C ATOM 0 H1 ALA A 1 -17.245 -16.101 2.448 1.00 44.45 H new ATOM 0 H2 ALA A 1 -16.666 -15.026 1.268 1.00 44.45 H new ATOM 0 H3 ALA A 1 -15.584 -16.033 2.104 1.00 44.45 H new ATOM 0 HA ALA A 1 -17.195 -13.829 3.268 1.00 24.12 H new ATOM 0 HB1 ALA A 1 -15.958 -14.293 5.357 1.00 10.21 H new ATOM 0 HB2 ALA A 1 -16.951 -15.683 4.859 1.00 10.21 H new ATOM 0 HB3 ALA A 1 -15.192 -15.704 4.590 1.00 10.21 H new ATOM 13 N ASP A 2 -15.460 -12.367 2.178 1.00 20.42 N ATOM 14 CA ASP A 2 -14.500 -11.286 1.864 1.00 21.31 C ATOM 15 C ASP A 2 -15.243 -9.942 1.663 1.00 73.42 C ATOM 16 O ASP A 2 -14.717 -9.021 1.039 1.00 23.33 O ATOM 17 CB ASP A 2 -13.621 -11.651 0.622 1.00 42.52 C ATOM 18 CG ASP A 2 -14.379 -11.658 -0.723 1.00 63.11 C ATOM 19 OD1 ASP A 2 -15.090 -12.645 -1.012 1.00 4.31 O ATOM 20 OD2 ASP A 2 -14.274 -10.675 -1.497 1.00 22.51 O ATOM 0 H ASP A 2 -16.405 -12.184 1.840 1.00 20.42 H new ATOM 0 HA ASP A 2 -13.824 -11.171 2.712 1.00 21.31 H new ATOM 0 HB2 ASP A 2 -12.797 -10.941 0.556 1.00 42.52 H new ATOM 0 HB3 ASP A 2 -13.181 -12.636 0.781 1.00 42.52 H new ATOM 25 N GLU A 3 -16.451 -9.819 2.262 1.00 62.43 N ATOM 26 CA GLU A 3 -17.265 -8.577 2.208 1.00 20.41 C ATOM 27 C GLU A 3 -16.563 -7.417 2.958 1.00 0.41 C ATOM 28 O GLU A 3 -16.890 -6.252 2.742 1.00 54.03 O ATOM 29 CB GLU A 3 -18.693 -8.820 2.791 1.00 40.11 C ATOM 30 CG GLU A 3 -19.692 -7.656 2.563 1.00 10.14 C ATOM 31 CD GLU A 3 -21.074 -7.897 3.187 1.00 42.44 C ATOM 32 OE1 GLU A 3 -21.799 -8.798 2.709 1.00 25.14 O ATOM 33 OE2 GLU A 3 -21.444 -7.194 4.160 1.00 15.11 O ATOM 0 H GLU A 3 -16.888 -10.572 2.794 1.00 62.43 H new ATOM 0 HA GLU A 3 -17.366 -8.292 1.161 1.00 20.41 H new ATOM 0 HB2 GLU A 3 -19.104 -9.726 2.345 1.00 40.11 H new ATOM 0 HB3 GLU A 3 -18.607 -9.003 3.862 1.00 40.11 H new ATOM 0 HG2 GLU A 3 -19.270 -6.741 2.978 1.00 10.14 H new ATOM 0 HG3 GLU A 3 -19.810 -7.495 1.491 1.00 10.14 H new ATOM 40 N ASN A 4 -15.593 -7.766 3.839 1.00 14.44 N ATOM 41 CA ASN A 4 -14.720 -6.788 4.525 1.00 4.13 C ATOM 42 C ASN A 4 -13.917 -5.989 3.481 1.00 3.00 C ATOM 43 O ASN A 4 -13.919 -4.757 3.490 1.00 71.21 O ATOM 44 CB ASN A 4 -13.734 -7.511 5.494 1.00 60.50 C ATOM 45 CG ASN A 4 -14.404 -8.349 6.587 1.00 44.20 C ATOM 46 OD1 ASN A 4 -15.530 -8.834 6.444 1.00 40.42 O ATOM 47 ND2 ASN A 4 -13.694 -8.555 7.681 1.00 74.24 N ATOM 0 H ASN A 4 -15.396 -8.734 4.092 1.00 14.44 H new ATOM 0 HA ASN A 4 -15.348 -6.112 5.105 1.00 4.13 H new ATOM 0 HB2 ASN A 4 -13.081 -8.159 4.909 1.00 60.50 H new ATOM 0 HB3 ASN A 4 -13.099 -6.763 5.968 1.00 60.50 H new ATOM 0 HD21 ASN A 4 -14.074 -9.128 8.435 1.00 74.24 H new ATOM 0 HD22 ASN A 4 -12.766 -8.142 7.772 1.00 74.24 H new ATOM 54 N ILE A 5 -13.298 -6.748 2.555 1.00 13.31 N ATOM 55 CA ILE A 5 -12.558 -6.225 1.391 1.00 24.54 C ATOM 56 C ILE A 5 -13.489 -5.360 0.530 1.00 40.31 C ATOM 57 O ILE A 5 -13.179 -4.196 0.226 1.00 62.40 O ATOM 58 CB ILE A 5 -12.009 -7.427 0.529 1.00 52.12 C ATOM 59 CG1 ILE A 5 -11.021 -8.295 1.371 1.00 74.13 C ATOM 60 CG2 ILE A 5 -11.377 -6.955 -0.803 1.00 53.14 C ATOM 61 CD1 ILE A 5 -10.544 -9.565 0.692 1.00 30.21 C ATOM 0 H ILE A 5 -13.299 -7.767 2.598 1.00 13.31 H new ATOM 0 HA ILE A 5 -11.723 -5.618 1.740 1.00 24.54 H new ATOM 0 HB ILE A 5 -12.858 -8.053 0.253 1.00 52.12 H new ATOM 0 HG12 ILE A 5 -10.152 -7.687 1.623 1.00 74.13 H new ATOM 0 HG13 ILE A 5 -11.506 -8.563 2.310 1.00 74.13 H new ATOM 0 HG21 ILE A 5 -11.014 -7.819 -1.360 1.00 53.14 H new ATOM 0 HG22 ILE A 5 -12.126 -6.430 -1.395 1.00 53.14 H new ATOM 0 HG23 ILE A 5 -10.545 -6.283 -0.593 1.00 53.14 H new ATOM 0 HD11 ILE A 5 -9.863 -10.098 1.355 1.00 30.21 H new ATOM 0 HD12 ILE A 5 -11.400 -10.200 0.465 1.00 30.21 H new ATOM 0 HD13 ILE A 5 -10.025 -9.311 -0.232 1.00 30.21 H new ATOM 73 N ALA A 6 -14.654 -5.959 0.199 1.00 23.24 N ATOM 74 CA ALA A 6 -15.685 -5.338 -0.639 1.00 40.34 C ATOM 75 C ALA A 6 -16.173 -4.000 -0.057 1.00 14.51 C ATOM 76 O ALA A 6 -16.373 -3.043 -0.795 1.00 51.31 O ATOM 77 CB ALA A 6 -16.861 -6.306 -0.824 1.00 55.53 C ATOM 0 H ALA A 6 -14.901 -6.898 0.513 1.00 23.24 H new ATOM 0 HA ALA A 6 -15.239 -5.122 -1.610 1.00 40.34 H new ATOM 0 HB1 ALA A 6 -17.623 -5.838 -1.447 1.00 55.53 H new ATOM 0 HB2 ALA A 6 -16.509 -7.219 -1.305 1.00 55.53 H new ATOM 0 HB3 ALA A 6 -17.288 -6.550 0.149 1.00 55.53 H new ATOM 83 N LYS A 7 -16.279 -3.940 1.279 1.00 4.24 N ATOM 84 CA LYS A 7 -16.845 -2.789 2.012 1.00 51.01 C ATOM 85 C LYS A 7 -16.045 -1.502 1.720 1.00 4.42 C ATOM 86 O LYS A 7 -16.619 -0.415 1.557 1.00 44.24 O ATOM 87 CB LYS A 7 -16.834 -3.097 3.541 1.00 50.51 C ATOM 88 CG LYS A 7 -17.795 -2.239 4.394 1.00 4.05 C ATOM 89 CD LYS A 7 -19.286 -2.514 4.078 1.00 73.34 C ATOM 90 CE LYS A 7 -19.692 -3.984 4.307 1.00 3.35 C ATOM 91 NZ LYS A 7 -21.116 -4.226 3.959 1.00 60.35 N ATOM 0 H LYS A 7 -15.972 -4.696 1.891 1.00 4.24 H new ATOM 0 HA LYS A 7 -17.870 -2.628 1.679 1.00 51.01 H new ATOM 0 HB2 LYS A 7 -17.086 -4.148 3.685 1.00 50.51 H new ATOM 0 HB3 LYS A 7 -15.820 -2.958 3.916 1.00 50.51 H new ATOM 0 HG2 LYS A 7 -17.610 -2.436 5.450 1.00 4.05 H new ATOM 0 HG3 LYS A 7 -17.581 -1.184 4.224 1.00 4.05 H new ATOM 0 HD2 LYS A 7 -19.908 -1.870 4.700 1.00 73.34 H new ATOM 0 HD3 LYS A 7 -19.487 -2.245 3.041 1.00 73.34 H new ATOM 0 HE2 LYS A 7 -19.056 -4.634 3.706 1.00 3.35 H new ATOM 0 HE3 LYS A 7 -19.523 -4.249 5.351 1.00 3.35 H new ATOM 0 HZ1 LYS A 7 -21.318 -5.245 4.013 1.00 60.35 H new ATOM 0 HZ2 LYS A 7 -21.728 -3.716 4.627 1.00 60.35 H new ATOM 0 HZ3 LYS A 7 -21.300 -3.887 2.993 1.00 60.35 H new ATOM 105 N PHE A 8 -14.712 -1.662 1.645 1.00 13.40 N ATOM 106 CA PHE A 8 -13.776 -0.562 1.363 1.00 54.03 C ATOM 107 C PHE A 8 -13.858 -0.126 -0.122 1.00 22.01 C ATOM 108 O PHE A 8 -13.647 1.047 -0.435 1.00 61.12 O ATOM 109 CB PHE A 8 -12.327 -0.987 1.712 1.00 51.44 C ATOM 110 CG PHE A 8 -12.106 -1.491 3.145 1.00 64.04 C ATOM 111 CD1 PHE A 8 -12.390 -0.682 4.246 1.00 10.33 C ATOM 112 CD2 PHE A 8 -11.600 -2.775 3.389 1.00 3.41 C ATOM 113 CE1 PHE A 8 -12.182 -1.137 5.538 1.00 53.12 C ATOM 114 CE2 PHE A 8 -11.396 -3.229 4.682 1.00 3.34 C ATOM 115 CZ PHE A 8 -11.688 -2.410 5.756 1.00 75.14 C ATOM 0 H PHE A 8 -14.253 -2.563 1.779 1.00 13.40 H new ATOM 0 HA PHE A 8 -14.058 0.288 1.984 1.00 54.03 H new ATOM 0 HB2 PHE A 8 -12.022 -1.772 1.020 1.00 51.44 H new ATOM 0 HB3 PHE A 8 -11.667 -0.136 1.540 1.00 51.44 H new ATOM 0 HD1 PHE A 8 -12.778 0.314 4.089 1.00 10.33 H new ATOM 0 HD2 PHE A 8 -11.365 -3.421 2.556 1.00 3.41 H new ATOM 0 HE1 PHE A 8 -12.406 -0.496 6.377 1.00 53.12 H new ATOM 0 HE2 PHE A 8 -11.009 -4.223 4.851 1.00 3.34 H new ATOM 0 HZ PHE A 8 -11.531 -2.764 6.764 1.00 75.14 H new ATOM 125 N GLU A 9 -14.168 -1.097 -1.019 1.00 32.42 N ATOM 126 CA GLU A 9 -14.288 -0.865 -2.483 1.00 55.14 C ATOM 127 C GLU A 9 -15.481 0.059 -2.806 1.00 74.53 C ATOM 128 O GLU A 9 -15.353 0.992 -3.605 1.00 14.42 O ATOM 129 CB GLU A 9 -14.467 -2.204 -3.248 1.00 32.41 C ATOM 130 CG GLU A 9 -13.369 -3.257 -2.994 1.00 3.31 C ATOM 131 CD GLU A 9 -13.602 -4.596 -3.725 1.00 21.11 C ATOM 132 OE1 GLU A 9 -14.774 -4.981 -3.936 1.00 40.20 O ATOM 133 OE2 GLU A 9 -12.616 -5.284 -4.063 1.00 41.15 O ATOM 0 H GLU A 9 -14.342 -2.065 -0.748 1.00 32.42 H new ATOM 0 HA GLU A 9 -13.364 -0.385 -2.806 1.00 55.14 H new ATOM 0 HB2 GLU A 9 -15.431 -2.634 -2.975 1.00 32.41 H new ATOM 0 HB3 GLU A 9 -14.504 -1.991 -4.316 1.00 32.41 H new ATOM 0 HG2 GLU A 9 -12.408 -2.847 -3.305 1.00 3.31 H new ATOM 0 HG3 GLU A 9 -13.303 -3.447 -1.923 1.00 3.31 H new ATOM 140 N LYS A 10 -16.644 -0.229 -2.177 1.00 30.02 N ATOM 141 CA LYS A 10 -17.876 0.582 -2.357 1.00 3.14 C ATOM 142 C LYS A 10 -17.686 1.973 -1.719 1.00 64.34 C ATOM 143 O LYS A 10 -18.196 2.970 -2.232 1.00 30.55 O ATOM 144 CB LYS A 10 -19.145 -0.109 -1.753 1.00 20.34 C ATOM 145 CG LYS A 10 -19.709 -1.341 -2.524 1.00 63.22 C ATOM 146 CD LYS A 10 -18.800 -2.576 -2.432 1.00 0.12 C ATOM 147 CE LYS A 10 -19.388 -3.832 -3.084 1.00 52.21 C ATOM 148 NZ LYS A 10 -19.581 -3.683 -4.549 1.00 23.22 N ATOM 0 H LYS A 10 -16.757 -1.017 -1.539 1.00 30.02 H new ATOM 0 HA LYS A 10 -18.042 0.681 -3.430 1.00 3.14 H new ATOM 0 HB2 LYS A 10 -18.909 -0.423 -0.736 1.00 20.34 H new ATOM 0 HB3 LYS A 10 -19.936 0.637 -1.680 1.00 20.34 H new ATOM 0 HG2 LYS A 10 -20.693 -1.591 -2.128 1.00 63.22 H new ATOM 0 HG3 LYS A 10 -19.846 -1.075 -3.572 1.00 63.22 H new ATOM 0 HD2 LYS A 10 -17.845 -2.347 -2.904 1.00 0.12 H new ATOM 0 HD3 LYS A 10 -18.595 -2.786 -1.382 1.00 0.12 H new ATOM 0 HE2 LYS A 10 -18.728 -4.678 -2.893 1.00 52.21 H new ATOM 0 HE3 LYS A 10 -20.346 -4.064 -2.618 1.00 52.21 H new ATOM 0 HZ1 LYS A 10 -19.981 -4.561 -4.938 1.00 23.22 H new ATOM 0 HZ2 LYS A 10 -20.233 -2.894 -4.735 1.00 23.22 H new ATOM 0 HZ3 LYS A 10 -18.665 -3.489 -5.002 1.00 23.22 H new ATOM 162 N ALA A 11 -16.944 2.015 -0.592 1.00 21.33 N ATOM 163 CA ALA A 11 -16.595 3.272 0.112 1.00 4.43 C ATOM 164 C ALA A 11 -15.578 4.106 -0.689 1.00 5.14 C ATOM 165 O ALA A 11 -15.450 5.319 -0.473 1.00 2.50 O ATOM 166 CB ALA A 11 -16.049 2.956 1.515 1.00 22.12 C ATOM 0 H ALA A 11 -16.569 1.180 -0.143 1.00 21.33 H new ATOM 0 HA ALA A 11 -17.503 3.868 0.209 1.00 4.43 H new ATOM 0 HB1 ALA A 11 -15.795 3.886 2.025 1.00 22.12 H new ATOM 0 HB2 ALA A 11 -16.807 2.423 2.089 1.00 22.12 H new ATOM 0 HB3 ALA A 11 -15.157 2.335 1.427 1.00 22.12 H new ATOM 172 N TYR A 12 -14.859 3.442 -1.608 1.00 14.51 N ATOM 173 CA TYR A 12 -13.852 4.087 -2.455 1.00 2.41 C ATOM 174 C TYR A 12 -14.552 4.767 -3.657 1.00 75.40 C ATOM 175 O TYR A 12 -15.120 4.092 -4.517 1.00 54.31 O ATOM 176 CB TYR A 12 -12.781 3.048 -2.920 1.00 14.11 C ATOM 177 CG TYR A 12 -11.404 3.676 -3.186 1.00 40.23 C ATOM 178 CD1 TYR A 12 -11.190 4.514 -4.280 1.00 70.22 C ATOM 179 CD2 TYR A 12 -10.336 3.467 -2.319 1.00 11.34 C ATOM 180 CE1 TYR A 12 -9.966 5.114 -4.495 1.00 4.34 C ATOM 181 CE2 TYR A 12 -9.117 4.064 -2.539 1.00 2.43 C ATOM 182 CZ TYR A 12 -8.936 4.887 -3.624 1.00 21.34 C ATOM 183 OH TYR A 12 -7.714 5.481 -3.838 1.00 3.31 O ATOM 0 H TYR A 12 -14.962 2.442 -1.782 1.00 14.51 H new ATOM 0 HA TYR A 12 -13.329 4.854 -1.884 1.00 2.41 H new ATOM 0 HB2 TYR A 12 -12.680 2.275 -2.158 1.00 14.11 H new ATOM 0 HB3 TYR A 12 -13.131 2.557 -3.828 1.00 14.11 H new ATOM 0 HD1 TYR A 12 -11.998 4.697 -4.973 1.00 70.22 H new ATOM 0 HD2 TYR A 12 -10.466 2.826 -1.460 1.00 11.34 H new ATOM 0 HE1 TYR A 12 -9.822 5.761 -5.348 1.00 4.34 H new ATOM 0 HE2 TYR A 12 -8.299 3.885 -1.857 1.00 2.43 H new ATOM 0 HH TYR A 12 -7.004 4.906 -3.484 1.00 3.31 H new ATOM 193 N LYS A 13 -14.514 6.110 -3.676 1.00 23.01 N ATOM 194 CA LYS A 13 -15.194 6.955 -4.693 1.00 73.42 C ATOM 195 C LYS A 13 -14.198 7.489 -5.756 1.00 44.20 C ATOM 196 O LYS A 13 -14.500 8.468 -6.459 1.00 60.44 O ATOM 197 CB LYS A 13 -15.912 8.141 -3.976 1.00 73.31 C ATOM 198 CG LYS A 13 -16.818 7.735 -2.791 1.00 13.34 C ATOM 199 CD LYS A 13 -17.930 6.738 -3.190 1.00 22.32 C ATOM 200 CE LYS A 13 -18.731 6.230 -1.981 1.00 32.24 C ATOM 201 NZ LYS A 13 -19.793 5.270 -2.390 1.00 24.21 N ATOM 0 H LYS A 13 -14.005 6.654 -2.979 1.00 23.01 H new ATOM 0 HA LYS A 13 -15.926 6.341 -5.218 1.00 73.42 H new ATOM 0 HB2 LYS A 13 -15.156 8.838 -3.614 1.00 73.31 H new ATOM 0 HB3 LYS A 13 -16.516 8.677 -4.708 1.00 73.31 H new ATOM 0 HG2 LYS A 13 -16.204 7.290 -2.008 1.00 13.34 H new ATOM 0 HG3 LYS A 13 -17.275 8.630 -2.368 1.00 13.34 H new ATOM 0 HD2 LYS A 13 -18.609 7.219 -3.894 1.00 22.32 H new ATOM 0 HD3 LYS A 13 -17.483 5.889 -3.707 1.00 22.32 H new ATOM 0 HE2 LYS A 13 -18.056 5.747 -1.274 1.00 32.24 H new ATOM 0 HE3 LYS A 13 -19.184 7.075 -1.463 1.00 32.24 H new ATOM 0 HZ1 LYS A 13 -20.585 5.321 -1.717 1.00 24.21 H new ATOM 0 HZ2 LYS A 13 -20.132 5.513 -3.343 1.00 24.21 H new ATOM 0 HZ3 LYS A 13 -19.405 4.305 -2.396 1.00 24.21 H new ATOM 215 N LYS A 14 -13.046 6.794 -5.888 1.00 74.53 N ATOM 216 CA LYS A 14 -11.891 7.176 -6.747 1.00 1.15 C ATOM 217 C LYS A 14 -11.170 8.427 -6.179 1.00 74.41 C ATOM 218 O LYS A 14 -11.748 9.517 -6.122 1.00 23.01 O ATOM 219 CB LYS A 14 -12.296 7.366 -8.238 1.00 75.22 C ATOM 220 CG LYS A 14 -12.875 6.098 -8.910 1.00 61.03 C ATOM 221 CD LYS A 14 -13.631 6.393 -10.237 1.00 2.21 C ATOM 222 CE LYS A 14 -15.014 7.066 -10.035 1.00 42.12 C ATOM 223 NZ LYS A 14 -14.940 8.460 -9.491 1.00 42.40 N ATOM 0 H LYS A 14 -12.884 5.922 -5.385 1.00 74.53 H new ATOM 0 HA LYS A 14 -11.185 6.346 -6.729 1.00 1.15 H new ATOM 0 HB2 LYS A 14 -13.034 8.166 -8.302 1.00 75.22 H new ATOM 0 HB3 LYS A 14 -11.422 7.693 -8.800 1.00 75.22 H new ATOM 0 HG2 LYS A 14 -12.063 5.399 -9.111 1.00 61.03 H new ATOM 0 HG3 LYS A 14 -13.555 5.606 -8.215 1.00 61.03 H new ATOM 0 HD2 LYS A 14 -13.012 7.037 -10.861 1.00 2.21 H new ATOM 0 HD3 LYS A 14 -13.768 5.459 -10.781 1.00 2.21 H new ATOM 0 HE2 LYS A 14 -15.539 7.087 -10.990 1.00 42.12 H new ATOM 0 HE3 LYS A 14 -15.609 6.454 -9.357 1.00 42.12 H new ATOM 0 HZ1 LYS A 14 -15.829 8.960 -9.695 1.00 42.40 H new ATOM 0 HZ2 LYS A 14 -14.791 8.424 -8.462 1.00 42.40 H new ATOM 0 HZ3 LYS A 14 -14.148 8.965 -9.938 1.00 42.40 H new ATOM 237 N ALA A 15 -9.899 8.253 -5.752 1.00 54.22 N ATOM 238 CA ALA A 15 -9.113 9.316 -5.097 1.00 74.40 C ATOM 239 C ALA A 15 -8.086 9.921 -6.062 1.00 54.54 C ATOM 240 O ALA A 15 -7.183 9.223 -6.538 1.00 0.13 O ATOM 241 CB ALA A 15 -8.415 8.751 -3.850 1.00 2.22 C ATOM 0 H ALA A 15 -9.393 7.373 -5.853 1.00 54.22 H new ATOM 0 HA ALA A 15 -9.793 10.113 -4.796 1.00 74.40 H new ATOM 0 HB1 ALA A 15 -7.835 9.539 -3.369 1.00 2.22 H new ATOM 0 HB2 ALA A 15 -9.164 8.374 -3.153 1.00 2.22 H new ATOM 0 HB3 ALA A 15 -7.750 7.938 -4.142 1.00 2.22 H new ATOM 247 N GLU A 16 -8.243 11.222 -6.345 1.00 14.31 N ATOM 248 CA GLU A 16 -7.265 12.022 -7.091 1.00 54.32 C ATOM 249 C GLU A 16 -6.824 13.209 -6.232 1.00 1.24 C ATOM 250 O GLU A 16 -7.300 13.392 -5.102 1.00 30.41 O ATOM 251 CB GLU A 16 -7.824 12.526 -8.456 1.00 54.14 C ATOM 252 CG GLU A 16 -8.965 13.562 -8.385 1.00 10.42 C ATOM 253 CD GLU A 16 -10.289 12.991 -7.855 1.00 72.11 C ATOM 254 OE1 GLU A 16 -11.003 12.335 -8.637 1.00 51.13 O ATOM 255 OE2 GLU A 16 -10.604 13.179 -6.663 1.00 61.40 O ATOM 0 H GLU A 16 -9.064 11.754 -6.058 1.00 14.31 H new ATOM 0 HA GLU A 16 -6.412 11.381 -7.316 1.00 54.32 H new ATOM 0 HB2 GLU A 16 -7.001 12.961 -9.023 1.00 54.14 H new ATOM 0 HB3 GLU A 16 -8.179 11.664 -9.020 1.00 54.14 H new ATOM 0 HG2 GLU A 16 -8.654 14.388 -7.745 1.00 10.42 H new ATOM 0 HG3 GLU A 16 -9.131 13.975 -9.380 1.00 10.42 H new ATOM 262 N GLU A 17 -5.896 13.997 -6.786 1.00 24.14 N ATOM 263 CA GLU A 17 -5.278 15.138 -6.109 1.00 11.31 C ATOM 264 C GLU A 17 -6.271 16.316 -6.142 1.00 72.13 C ATOM 265 O GLU A 17 -6.220 17.199 -7.009 1.00 31.43 O ATOM 266 CB GLU A 17 -3.861 15.484 -6.714 1.00 13.02 C ATOM 267 CG GLU A 17 -3.518 14.892 -8.115 1.00 32.21 C ATOM 268 CD GLU A 17 -3.253 13.360 -8.115 1.00 73.21 C ATOM 269 OE1 GLU A 17 -2.214 12.929 -7.584 1.00 62.21 O ATOM 270 OE2 GLU A 17 -4.088 12.585 -8.642 1.00 52.11 O ATOM 0 H GLU A 17 -5.548 13.855 -7.734 1.00 24.14 H new ATOM 0 HA GLU A 17 -5.074 14.893 -5.067 1.00 11.31 H new ATOM 0 HB2 GLU A 17 -3.777 16.569 -6.776 1.00 13.02 H new ATOM 0 HB3 GLU A 17 -3.101 15.145 -6.009 1.00 13.02 H new ATOM 0 HG2 GLU A 17 -4.340 15.107 -8.798 1.00 32.21 H new ATOM 0 HG3 GLU A 17 -2.637 15.401 -8.506 1.00 32.21 H new ATOM 277 N LEU A 18 -7.207 16.238 -5.193 1.00 22.40 N ATOM 278 CA LEU A 18 -8.397 17.098 -5.086 1.00 75.50 C ATOM 279 C LEU A 18 -8.966 16.908 -3.661 1.00 71.31 C ATOM 280 O LEU A 18 -8.665 15.891 -3.018 1.00 34.23 O ATOM 281 CB LEU A 18 -9.417 16.701 -6.216 1.00 62.23 C ATOM 282 CG LEU A 18 -10.635 17.666 -6.497 1.00 61.23 C ATOM 283 CD1 LEU A 18 -11.081 17.583 -7.982 1.00 25.41 C ATOM 284 CD2 LEU A 18 -11.832 17.369 -5.562 1.00 34.43 C ATOM 0 H LEU A 18 -7.158 15.546 -4.445 1.00 22.40 H new ATOM 0 HA LEU A 18 -8.168 18.154 -5.230 1.00 75.50 H new ATOM 0 HB2 LEU A 18 -8.858 16.592 -7.145 1.00 62.23 H new ATOM 0 HB3 LEU A 18 -9.821 15.719 -5.970 1.00 62.23 H new ATOM 0 HG LEU A 18 -10.292 18.680 -6.291 1.00 61.23 H new ATOM 0 HD11 LEU A 18 -11.921 18.257 -8.148 1.00 25.41 H new ATOM 0 HD12 LEU A 18 -10.251 17.871 -8.628 1.00 25.41 H new ATOM 0 HD13 LEU A 18 -11.384 16.562 -8.214 1.00 25.41 H new ATOM 0 HD21 LEU A 18 -12.649 18.055 -5.788 1.00 34.43 H new ATOM 0 HD22 LEU A 18 -12.167 16.343 -5.714 1.00 34.43 H new ATOM 0 HD23 LEU A 18 -11.525 17.500 -4.525 1.00 34.43 H new ATOM 296 N ASN A 19 -9.751 17.891 -3.165 1.00 21.03 N ATOM 297 CA ASN A 19 -10.272 17.888 -1.773 1.00 35.31 C ATOM 298 C ASN A 19 -11.366 16.798 -1.564 1.00 0.22 C ATOM 299 O ASN A 19 -12.562 17.098 -1.534 1.00 10.24 O ATOM 300 CB ASN A 19 -10.810 19.297 -1.385 1.00 24.15 C ATOM 301 CG ASN A 19 -9.745 20.389 -1.472 1.00 3.54 C ATOM 302 OD1 ASN A 19 -8.995 20.621 -0.521 1.00 60.42 O ATOM 303 ND2 ASN A 19 -9.664 21.063 -2.606 1.00 22.54 N ATOM 0 H ASN A 19 -10.041 18.703 -3.710 1.00 21.03 H new ATOM 0 HA ASN A 19 -9.441 17.641 -1.113 1.00 35.31 H new ATOM 0 HB2 ASN A 19 -11.641 19.555 -2.041 1.00 24.15 H new ATOM 0 HB3 ASN A 19 -11.204 19.262 -0.369 1.00 24.15 H new ATOM 0 HD21 ASN A 19 -8.966 21.799 -2.713 1.00 22.54 H new ATOM 0 HD22 ASN A 19 -10.299 20.847 -3.374 1.00 22.54 H new ATOM 310 N GLN A 20 -10.910 15.527 -1.457 1.00 14.03 N ATOM 311 CA GLN A 20 -11.744 14.333 -1.159 1.00 11.31 C ATOM 312 C GLN A 20 -10.856 13.077 -1.049 1.00 42.15 C ATOM 313 O GLN A 20 -11.288 12.072 -0.481 1.00 71.21 O ATOM 314 CB GLN A 20 -12.852 14.069 -2.232 1.00 51.43 C ATOM 315 CG GLN A 20 -12.341 13.657 -3.632 1.00 73.52 C ATOM 316 CD GLN A 20 -13.455 13.158 -4.566 1.00 23.34 C ATOM 317 OE1 GLN A 20 -14.610 13.580 -4.462 1.00 75.14 O ATOM 318 NE2 GLN A 20 -13.120 12.263 -5.481 1.00 14.30 N ATOM 0 H GLN A 20 -9.924 15.295 -1.579 1.00 14.03 H new ATOM 0 HA GLN A 20 -12.242 14.542 -0.212 1.00 11.31 H new ATOM 0 HB2 GLN A 20 -13.513 13.285 -1.861 1.00 51.43 H new ATOM 0 HB3 GLN A 20 -13.455 14.971 -2.336 1.00 51.43 H new ATOM 0 HG2 GLN A 20 -11.844 14.510 -4.095 1.00 73.52 H new ATOM 0 HG3 GLN A 20 -11.592 12.873 -3.521 1.00 73.52 H new ATOM 0 HE21 GLN A 20 -12.157 11.933 -5.543 1.00 14.30 H new ATOM 0 HE22 GLN A 20 -13.825 11.903 -6.125 1.00 14.30 H new ATOM 327 N GLY A 21 -9.621 13.145 -1.604 1.00 60.14 N ATOM 328 CA GLY A 21 -8.723 11.985 -1.700 1.00 50.44 C ATOM 329 C GLY A 21 -8.397 11.340 -0.352 1.00 4.44 C ATOM 330 O GLY A 21 -8.277 10.116 -0.266 1.00 14.43 O ATOM 0 H GLY A 21 -9.229 14.002 -1.993 1.00 60.14 H new ATOM 0 HA2 GLY A 21 -9.180 11.237 -2.348 1.00 50.44 H new ATOM 0 HA3 GLY A 21 -7.794 12.296 -2.177 1.00 50.44 H new ATOM 334 N GLU A 22 -8.297 12.186 0.694 1.00 11.33 N ATOM 335 CA GLU A 22 -8.031 11.771 2.100 1.00 63.14 C ATOM 336 C GLU A 22 -9.063 10.743 2.627 1.00 42.41 C ATOM 337 O GLU A 22 -8.722 9.874 3.438 1.00 61.25 O ATOM 338 CB GLU A 22 -8.032 13.039 2.999 1.00 40.21 C ATOM 339 CG GLU A 22 -9.365 13.817 2.962 1.00 41.33 C ATOM 340 CD GLU A 22 -9.334 15.139 3.731 1.00 62.43 C ATOM 341 OE1 GLU A 22 -9.180 15.109 4.964 1.00 63.22 O ATOM 342 OE2 GLU A 22 -9.474 16.217 3.109 1.00 1.23 O ATOM 0 H GLU A 22 -8.400 13.196 0.591 1.00 11.33 H new ATOM 0 HA GLU A 22 -7.060 11.276 2.129 1.00 63.14 H new ATOM 0 HB2 GLU A 22 -7.819 12.746 4.027 1.00 40.21 H new ATOM 0 HB3 GLU A 22 -7.225 13.700 2.682 1.00 40.21 H new ATOM 0 HG2 GLU A 22 -9.628 14.018 1.924 1.00 41.33 H new ATOM 0 HG3 GLU A 22 -10.153 13.187 3.374 1.00 41.33 H new ATOM 349 N LEU A 23 -10.317 10.848 2.139 1.00 20.32 N ATOM 350 CA LEU A 23 -11.436 9.972 2.555 1.00 63.14 C ATOM 351 C LEU A 23 -11.199 8.520 2.096 1.00 60.43 C ATOM 352 O LEU A 23 -11.729 7.562 2.674 1.00 11.33 O ATOM 353 CB LEU A 23 -12.770 10.534 1.981 1.00 73.33 C ATOM 354 CG LEU A 23 -13.092 12.023 2.364 1.00 45.44 C ATOM 355 CD1 LEU A 23 -14.326 12.565 1.609 1.00 42.35 C ATOM 356 CD2 LEU A 23 -13.257 12.188 3.891 1.00 55.02 C ATOM 0 H LEU A 23 -10.584 11.544 1.443 1.00 20.32 H new ATOM 0 HA LEU A 23 -11.497 9.960 3.643 1.00 63.14 H new ATOM 0 HB2 LEU A 23 -12.741 10.454 0.894 1.00 73.33 H new ATOM 0 HB3 LEU A 23 -13.589 9.902 2.325 1.00 73.33 H new ATOM 0 HG LEU A 23 -12.236 12.622 2.051 1.00 45.44 H new ATOM 0 HD11 LEU A 23 -14.510 13.597 1.906 1.00 42.35 H new ATOM 0 HD12 LEU A 23 -14.143 12.524 0.535 1.00 42.35 H new ATOM 0 HD13 LEU A 23 -15.197 11.957 1.852 1.00 42.35 H new ATOM 0 HD21 LEU A 23 -13.479 13.230 4.123 1.00 55.02 H new ATOM 0 HD22 LEU A 23 -14.075 11.557 4.239 1.00 55.02 H new ATOM 0 HD23 LEU A 23 -12.334 11.894 4.391 1.00 55.02 H new ATOM 368 N MET A 24 -10.372 8.392 1.056 1.00 24.10 N ATOM 369 CA MET A 24 -9.992 7.115 0.434 1.00 31.02 C ATOM 370 C MET A 24 -8.481 6.885 0.620 1.00 50.31 C ATOM 371 O MET A 24 -7.854 7.534 1.465 1.00 72.33 O ATOM 372 CB MET A 24 -10.405 7.173 -1.054 1.00 54.42 C ATOM 373 CG MET A 24 -11.924 7.224 -1.289 1.00 10.01 C ATOM 374 SD MET A 24 -12.349 7.987 -2.863 1.00 10.11 S ATOM 375 CE MET A 24 -11.893 9.696 -2.551 1.00 4.42 C ATOM 0 H MET A 24 -9.933 9.196 0.608 1.00 24.10 H new ATOM 0 HA MET A 24 -10.500 6.271 0.901 1.00 31.02 H new ATOM 0 HB2 MET A 24 -9.949 8.051 -1.511 1.00 54.42 H new ATOM 0 HB3 MET A 24 -9.999 6.300 -1.566 1.00 54.42 H new ATOM 0 HG2 MET A 24 -12.328 6.212 -1.258 1.00 10.01 H new ATOM 0 HG3 MET A 24 -12.396 7.781 -0.479 1.00 10.01 H new ATOM 0 HE1 MET A 24 -12.459 10.350 -3.214 1.00 4.42 H new ATOM 0 HE2 MET A 24 -12.117 9.949 -1.515 1.00 4.42 H new ATOM 0 HE3 MET A 24 -10.827 9.827 -2.735 1.00 4.42 H new ATOM 385 N GLY A 25 -7.905 5.933 -0.138 1.00 4.12 N ATOM 386 CA GLY A 25 -6.499 5.530 0.025 1.00 32.14 C ATOM 387 C GLY A 25 -6.349 4.504 1.129 1.00 14.40 C ATOM 388 O GLY A 25 -5.904 3.383 0.887 1.00 70.45 O ATOM 0 H GLY A 25 -8.398 5.427 -0.874 1.00 4.12 H new ATOM 0 HA2 GLY A 25 -6.125 5.117 -0.912 1.00 32.14 H new ATOM 0 HA3 GLY A 25 -5.891 6.405 0.253 1.00 32.14 H new ATOM 392 N ARG A 26 -6.754 4.913 2.350 1.00 61.41 N ATOM 393 CA ARG A 26 -6.887 4.033 3.527 1.00 61.21 C ATOM 394 C ARG A 26 -7.778 2.820 3.213 1.00 13.34 C ATOM 395 O ARG A 26 -7.503 1.715 3.675 1.00 61.33 O ATOM 396 CB ARG A 26 -7.474 4.842 4.721 1.00 4.41 C ATOM 397 CG ARG A 26 -7.899 4.001 5.956 1.00 20.23 C ATOM 398 CD ARG A 26 -8.559 4.848 7.062 1.00 15.12 C ATOM 399 NE ARG A 26 -9.231 4.011 8.081 1.00 1.31 N ATOM 400 CZ ARG A 26 -9.722 4.456 9.253 1.00 61.51 C ATOM 401 NH1 ARG A 26 -9.614 5.742 9.606 1.00 21.44 N ATOM 402 NH2 ARG A 26 -10.367 3.615 10.051 1.00 1.20 N ATOM 0 H ARG A 26 -7.002 5.883 2.547 1.00 61.41 H new ATOM 0 HA ARG A 26 -5.899 3.660 3.795 1.00 61.21 H new ATOM 0 HB2 ARG A 26 -6.732 5.574 5.040 1.00 4.41 H new ATOM 0 HB3 ARG A 26 -8.341 5.400 4.368 1.00 4.41 H new ATOM 0 HG2 ARG A 26 -8.594 3.224 5.638 1.00 20.23 H new ATOM 0 HG3 ARG A 26 -7.023 3.498 6.365 1.00 20.23 H new ATOM 0 HD2 ARG A 26 -7.802 5.467 7.544 1.00 15.12 H new ATOM 0 HD3 ARG A 26 -9.286 5.525 6.614 1.00 15.12 H new ATOM 0 HE ARG A 26 -9.330 3.016 7.879 1.00 1.31 H new ATOM 0 HH11 ARG A 26 -9.153 6.405 8.983 1.00 21.44 H new ATOM 0 HH12 ARG A 26 -9.993 6.059 10.498 1.00 21.44 H new ATOM 0 HH21 ARG A 26 -10.487 2.641 9.775 1.00 1.20 H new ATOM 0 HH22 ARG A 26 -10.743 3.943 10.941 1.00 1.20 H new ATOM 416 N ALA A 27 -8.829 3.053 2.400 1.00 31.11 N ATOM 417 CA ALA A 27 -9.762 2.004 1.972 1.00 13.10 C ATOM 418 C ALA A 27 -9.026 0.882 1.201 1.00 11.23 C ATOM 419 O ALA A 27 -9.121 -0.287 1.578 1.00 41.04 O ATOM 420 CB ALA A 27 -10.894 2.616 1.134 1.00 72.20 C ATOM 0 H ALA A 27 -9.050 3.975 2.025 1.00 31.11 H new ATOM 0 HA ALA A 27 -10.203 1.547 2.858 1.00 13.10 H new ATOM 0 HB1 ALA A 27 -11.581 1.830 0.821 1.00 72.20 H new ATOM 0 HB2 ALA A 27 -11.432 3.352 1.732 1.00 72.20 H new ATOM 0 HB3 ALA A 27 -10.473 3.102 0.254 1.00 72.20 H new ATOM 426 N LEU A 28 -8.247 1.260 0.155 1.00 20.45 N ATOM 427 CA LEU A 28 -7.438 0.292 -0.626 1.00 41.14 C ATOM 428 C LEU A 28 -6.299 -0.311 0.223 1.00 1.11 C ATOM 429 O LEU A 28 -5.923 -1.466 0.017 1.00 3.04 O ATOM 430 CB LEU A 28 -6.841 0.928 -1.915 1.00 13.13 C ATOM 431 CG LEU A 28 -7.796 1.014 -3.144 1.00 14.24 C ATOM 432 CD1 LEU A 28 -7.135 1.795 -4.293 1.00 62.51 C ATOM 433 CD2 LEU A 28 -8.252 -0.383 -3.613 1.00 14.12 C ATOM 0 H LEU A 28 -8.163 2.225 -0.165 1.00 20.45 H new ATOM 0 HA LEU A 28 -8.122 -0.504 -0.921 1.00 41.14 H new ATOM 0 HB2 LEU A 28 -6.500 1.935 -1.674 1.00 13.13 H new ATOM 0 HB3 LEU A 28 -5.961 0.354 -2.204 1.00 13.13 H new ATOM 0 HG LEU A 28 -8.688 1.556 -2.830 1.00 14.24 H new ATOM 0 HD11 LEU A 28 -7.819 1.843 -5.141 1.00 62.51 H new ATOM 0 HD12 LEU A 28 -6.900 2.805 -3.958 1.00 62.51 H new ATOM 0 HD13 LEU A 28 -6.217 1.290 -4.595 1.00 62.51 H new ATOM 0 HD21 LEU A 28 -8.916 -0.280 -4.471 1.00 14.12 H new ATOM 0 HD22 LEU A 28 -7.381 -0.974 -3.897 1.00 14.12 H new ATOM 0 HD23 LEU A 28 -8.782 -0.884 -2.803 1.00 14.12 H new ATOM 445 N TYR A 29 -5.763 0.487 1.164 1.00 70.24 N ATOM 446 CA TYR A 29 -4.670 0.059 2.057 1.00 20.43 C ATOM 447 C TYR A 29 -5.138 -1.117 2.929 1.00 0.13 C ATOM 448 O TYR A 29 -4.412 -2.104 3.101 1.00 71.45 O ATOM 449 CB TYR A 29 -4.198 1.246 2.948 1.00 41.54 C ATOM 450 CG TYR A 29 -3.089 0.876 3.937 1.00 44.43 C ATOM 451 CD1 TYR A 29 -1.835 0.469 3.481 1.00 71.10 C ATOM 452 CD2 TYR A 29 -3.297 0.897 5.321 1.00 74.32 C ATOM 453 CE1 TYR A 29 -0.840 0.102 4.356 1.00 63.45 C ATOM 454 CE2 TYR A 29 -2.299 0.523 6.197 1.00 44.51 C ATOM 455 CZ TYR A 29 -1.074 0.129 5.704 1.00 64.42 C ATOM 456 OH TYR A 29 -0.077 -0.254 6.568 1.00 5.22 O ATOM 0 H TYR A 29 -6.074 1.445 1.327 1.00 70.24 H new ATOM 0 HA TYR A 29 -3.826 -0.268 1.450 1.00 20.43 H new ATOM 0 HB2 TYR A 29 -3.844 2.052 2.305 1.00 41.54 H new ATOM 0 HB3 TYR A 29 -5.052 1.633 3.503 1.00 41.54 H new ATOM 0 HD1 TYR A 29 -1.642 0.442 2.419 1.00 71.10 H new ATOM 0 HD2 TYR A 29 -4.254 1.211 5.709 1.00 74.32 H new ATOM 0 HE1 TYR A 29 0.124 -0.207 3.980 1.00 63.45 H new ATOM 0 HE2 TYR A 29 -2.477 0.539 7.262 1.00 44.51 H new ATOM 0 HH TYR A 29 0.500 -0.913 6.130 1.00 5.22 H new ATOM 466 N ASN A 30 -6.373 -0.997 3.450 1.00 73.55 N ATOM 467 CA ASN A 30 -7.006 -2.029 4.281 1.00 62.51 C ATOM 468 C ASN A 30 -7.300 -3.296 3.455 1.00 65.30 C ATOM 469 O ASN A 30 -7.155 -4.398 3.966 1.00 1.53 O ATOM 470 CB ASN A 30 -8.294 -1.486 4.947 1.00 32.53 C ATOM 471 CG ASN A 30 -8.059 -0.392 6.005 1.00 5.33 C ATOM 472 OD1 ASN A 30 -8.875 0.521 6.159 1.00 35.44 O ATOM 473 ND2 ASN A 30 -6.973 -0.485 6.772 1.00 43.01 N ATOM 0 H ASN A 30 -6.960 -0.176 3.304 1.00 73.55 H new ATOM 0 HA ASN A 30 -6.309 -2.302 5.073 1.00 62.51 H new ATOM 0 HB2 ASN A 30 -8.948 -1.088 4.171 1.00 32.53 H new ATOM 0 HB3 ASN A 30 -8.823 -2.317 5.414 1.00 32.53 H new ATOM 0 HD21 ASN A 30 -6.804 0.206 7.503 1.00 43.01 H new ATOM 0 HD22 ASN A 30 -6.311 -1.247 6.628 1.00 43.01 H new ATOM 480 N ILE A 31 -7.665 -3.119 2.159 1.00 54.12 N ATOM 481 CA ILE A 31 -7.885 -4.236 1.211 1.00 14.11 C ATOM 482 C ILE A 31 -6.560 -4.994 0.989 1.00 50.34 C ATOM 483 O ILE A 31 -6.535 -6.230 0.936 1.00 22.34 O ATOM 484 CB ILE A 31 -8.446 -3.693 -0.162 1.00 15.41 C ATOM 485 CG1 ILE A 31 -9.846 -3.043 0.028 1.00 14.42 C ATOM 486 CG2 ILE A 31 -8.499 -4.787 -1.249 1.00 65.42 C ATOM 487 CD1 ILE A 31 -10.397 -2.352 -1.208 1.00 23.34 C ATOM 0 H ILE A 31 -7.814 -2.199 1.745 1.00 54.12 H new ATOM 0 HA ILE A 31 -8.621 -4.920 1.632 1.00 14.11 H new ATOM 0 HB ILE A 31 -7.749 -2.929 -0.507 1.00 15.41 H new ATOM 0 HG12 ILE A 31 -10.550 -3.814 0.341 1.00 14.42 H new ATOM 0 HG13 ILE A 31 -9.787 -2.316 0.838 1.00 14.42 H new ATOM 0 HG21 ILE A 31 -8.892 -4.363 -2.173 1.00 65.42 H new ATOM 0 HG22 ILE A 31 -7.495 -5.174 -1.425 1.00 65.42 H new ATOM 0 HG23 ILE A 31 -9.148 -5.598 -0.918 1.00 65.42 H new ATOM 0 HD11 ILE A 31 -11.376 -1.929 -0.982 1.00 23.34 H new ATOM 0 HD12 ILE A 31 -9.718 -1.555 -1.512 1.00 23.34 H new ATOM 0 HD13 ILE A 31 -10.493 -3.076 -2.017 1.00 23.34 H new ATOM 499 N GLY A 32 -5.464 -4.214 0.898 1.00 3.44 N ATOM 500 CA GLY A 32 -4.118 -4.753 0.759 1.00 73.43 C ATOM 501 C GLY A 32 -3.692 -5.576 1.967 1.00 3.44 C ATOM 502 O GLY A 32 -3.050 -6.614 1.815 1.00 42.04 O ATOM 0 H GLY A 32 -5.499 -3.195 0.920 1.00 3.44 H new ATOM 0 HA2 GLY A 32 -4.069 -5.374 -0.135 1.00 73.43 H new ATOM 0 HA3 GLY A 32 -3.415 -3.933 0.616 1.00 73.43 H new ATOM 506 N LEU A 33 -4.064 -5.093 3.172 1.00 43.23 N ATOM 507 CA LEU A 33 -3.799 -5.791 4.448 1.00 53.31 C ATOM 508 C LEU A 33 -4.538 -7.147 4.485 1.00 31.42 C ATOM 509 O LEU A 33 -3.962 -8.166 4.887 1.00 1.13 O ATOM 510 CB LEU A 33 -4.233 -4.900 5.653 1.00 1.44 C ATOM 511 CG LEU A 33 -3.419 -3.582 5.875 1.00 40.12 C ATOM 512 CD1 LEU A 33 -4.063 -2.706 6.974 1.00 34.54 C ATOM 513 CD2 LEU A 33 -1.936 -3.879 6.195 1.00 24.54 C ATOM 0 H LEU A 33 -4.557 -4.207 3.287 1.00 43.23 H new ATOM 0 HA LEU A 33 -2.728 -5.980 4.524 1.00 53.31 H new ATOM 0 HB2 LEU A 33 -5.282 -4.635 5.521 1.00 1.44 H new ATOM 0 HB3 LEU A 33 -4.167 -5.499 6.561 1.00 1.44 H new ATOM 0 HG LEU A 33 -3.446 -3.020 4.942 1.00 40.12 H new ATOM 0 HD11 LEU A 33 -3.475 -1.797 7.106 1.00 34.54 H new ATOM 0 HD12 LEU A 33 -5.079 -2.442 6.680 1.00 34.54 H new ATOM 0 HD13 LEU A 33 -4.089 -3.260 7.912 1.00 34.54 H new ATOM 0 HD21 LEU A 33 -1.401 -2.941 6.343 1.00 24.54 H new ATOM 0 HD22 LEU A 33 -1.873 -4.480 7.102 1.00 24.54 H new ATOM 0 HD23 LEU A 33 -1.487 -4.426 5.366 1.00 24.54 H new ATOM 525 N GLU A 34 -5.812 -7.138 4.036 1.00 31.14 N ATOM 526 CA GLU A 34 -6.667 -8.342 3.973 1.00 61.11 C ATOM 527 C GLU A 34 -6.056 -9.408 3.036 1.00 61.30 C ATOM 528 O GLU A 34 -6.029 -10.601 3.374 1.00 34.21 O ATOM 529 CB GLU A 34 -8.098 -7.963 3.493 1.00 10.34 C ATOM 530 CG GLU A 34 -8.858 -6.957 4.391 1.00 33.25 C ATOM 531 CD GLU A 34 -9.192 -7.482 5.805 1.00 1.33 C ATOM 532 OE1 GLU A 34 -8.331 -7.399 6.712 1.00 33.14 O ATOM 533 OE2 GLU A 34 -10.319 -7.983 6.013 1.00 55.00 O ATOM 0 H GLU A 34 -6.277 -6.292 3.706 1.00 31.14 H new ATOM 0 HA GLU A 34 -6.729 -8.765 4.976 1.00 61.11 H new ATOM 0 HB2 GLU A 34 -8.027 -7.545 2.489 1.00 10.34 H new ATOM 0 HB3 GLU A 34 -8.690 -8.875 3.417 1.00 10.34 H new ATOM 0 HG2 GLU A 34 -8.260 -6.051 4.486 1.00 33.25 H new ATOM 0 HG3 GLU A 34 -9.786 -6.675 3.894 1.00 33.25 H new ATOM 540 N LYS A 35 -5.551 -8.945 1.878 1.00 60.11 N ATOM 541 CA LYS A 35 -4.893 -9.793 0.866 1.00 3.03 C ATOM 542 C LYS A 35 -3.570 -10.372 1.415 1.00 61.20 C ATOM 543 O LYS A 35 -3.313 -11.574 1.283 1.00 34.52 O ATOM 544 CB LYS A 35 -4.647 -8.970 -0.447 1.00 1.05 C ATOM 545 CG LYS A 35 -5.769 -9.048 -1.517 1.00 3.12 C ATOM 546 CD LYS A 35 -7.188 -8.777 -0.972 1.00 13.11 C ATOM 547 CE LYS A 35 -8.203 -8.434 -2.084 1.00 21.44 C ATOM 548 NZ LYS A 35 -8.220 -9.419 -3.197 1.00 33.23 N ATOM 0 H LYS A 35 -5.589 -7.960 1.615 1.00 60.11 H new ATOM 0 HA LYS A 35 -5.549 -10.631 0.629 1.00 3.03 H new ATOM 0 HB2 LYS A 35 -4.503 -7.924 -0.175 1.00 1.05 H new ATOM 0 HB3 LYS A 35 -3.716 -9.313 -0.899 1.00 1.05 H new ATOM 0 HG2 LYS A 35 -5.552 -8.328 -2.307 1.00 3.12 H new ATOM 0 HG3 LYS A 35 -5.751 -10.038 -1.974 1.00 3.12 H new ATOM 0 HD2 LYS A 35 -7.536 -9.654 -0.427 1.00 13.11 H new ATOM 0 HD3 LYS A 35 -7.147 -7.954 -0.258 1.00 13.11 H new ATOM 0 HE2 LYS A 35 -9.200 -8.373 -1.648 1.00 21.44 H new ATOM 0 HE3 LYS A 35 -7.970 -7.448 -2.486 1.00 21.44 H new ATOM 0 HZ1 LYS A 35 -9.085 -9.291 -3.761 1.00 33.23 H new ATOM 0 HZ2 LYS A 35 -7.387 -9.273 -3.803 1.00 33.23 H new ATOM 0 HZ3 LYS A 35 -8.200 -10.383 -2.808 1.00 33.23 H new ATOM 562 N ASN A 36 -2.769 -9.502 2.069 1.00 53.23 N ATOM 563 CA ASN A 36 -1.443 -9.865 2.630 1.00 75.20 C ATOM 564 C ASN A 36 -1.596 -10.964 3.700 1.00 53.34 C ATOM 565 O ASN A 36 -0.783 -11.888 3.771 1.00 60.34 O ATOM 566 CB ASN A 36 -0.753 -8.608 3.243 1.00 31.31 C ATOM 567 CG ASN A 36 0.720 -8.839 3.617 1.00 64.00 C ATOM 568 OD1 ASN A 36 1.038 -9.279 4.722 1.00 32.31 O ATOM 569 ND2 ASN A 36 1.630 -8.534 2.703 1.00 2.32 N ATOM 0 H ASN A 36 -3.022 -8.526 2.224 1.00 53.23 H new ATOM 0 HA ASN A 36 -0.818 -10.249 1.824 1.00 75.20 H new ATOM 0 HB2 ASN A 36 -0.814 -7.786 2.530 1.00 31.31 H new ATOM 0 HB3 ASN A 36 -1.302 -8.300 4.133 1.00 31.31 H new ATOM 0 HD21 ASN A 36 2.621 -8.662 2.907 1.00 2.32 H new ATOM 0 HD22 ASN A 36 1.339 -8.171 1.795 1.00 2.32 H new ATOM 576 N LYS A 37 -2.683 -10.844 4.494 1.00 13.20 N ATOM 577 CA LYS A 37 -3.060 -11.809 5.549 1.00 75.12 C ATOM 578 C LYS A 37 -3.358 -13.186 4.911 1.00 52.13 C ATOM 579 O LYS A 37 -2.920 -14.224 5.417 1.00 31.24 O ATOM 580 CB LYS A 37 -4.305 -11.244 6.331 1.00 43.44 C ATOM 581 CG LYS A 37 -4.704 -11.967 7.661 1.00 2.14 C ATOM 582 CD LYS A 37 -5.393 -13.346 7.463 1.00 4.03 C ATOM 583 CE LYS A 37 -5.849 -13.990 8.781 1.00 4.24 C ATOM 584 NZ LYS A 37 -6.986 -13.254 9.386 1.00 70.32 N ATOM 0 H LYS A 37 -3.333 -10.061 4.418 1.00 13.20 H new ATOM 0 HA LYS A 37 -2.242 -11.945 6.256 1.00 75.12 H new ATOM 0 HB2 LYS A 37 -4.112 -10.196 6.561 1.00 43.44 H new ATOM 0 HB3 LYS A 37 -5.165 -11.270 5.661 1.00 43.44 H new ATOM 0 HG2 LYS A 37 -3.809 -12.106 8.267 1.00 2.14 H new ATOM 0 HG3 LYS A 37 -5.374 -11.318 8.226 1.00 2.14 H new ATOM 0 HD2 LYS A 37 -6.256 -13.223 6.809 1.00 4.03 H new ATOM 0 HD3 LYS A 37 -4.703 -14.020 6.956 1.00 4.03 H new ATOM 0 HE2 LYS A 37 -6.141 -15.024 8.599 1.00 4.24 H new ATOM 0 HE3 LYS A 37 -5.015 -14.013 9.483 1.00 4.24 H new ATOM 0 HZ1 LYS A 37 -7.310 -13.755 10.237 1.00 70.32 H new ATOM 0 HZ2 LYS A 37 -6.680 -12.294 9.645 1.00 70.32 H new ATOM 0 HZ3 LYS A 37 -7.766 -13.196 8.700 1.00 70.32 H new ATOM 598 N MET A 38 -4.070 -13.167 3.768 1.00 0.31 N ATOM 599 CA MET A 38 -4.484 -14.393 3.035 1.00 34.34 C ATOM 600 C MET A 38 -3.380 -14.902 2.079 1.00 2.42 C ATOM 601 O MET A 38 -3.652 -15.749 1.216 1.00 23.10 O ATOM 602 CB MET A 38 -5.794 -14.120 2.244 1.00 50.24 C ATOM 603 CG MET A 38 -7.019 -13.811 3.115 1.00 13.13 C ATOM 604 SD MET A 38 -8.515 -13.541 2.140 1.00 62.22 S ATOM 605 CE MET A 38 -8.026 -12.152 1.111 1.00 71.30 C ATOM 0 H MET A 38 -4.378 -12.303 3.321 1.00 0.31 H new ATOM 0 HA MET A 38 -4.658 -15.175 3.774 1.00 34.34 H new ATOM 0 HB2 MET A 38 -5.626 -13.282 1.568 1.00 50.24 H new ATOM 0 HB3 MET A 38 -6.016 -14.989 1.625 1.00 50.24 H new ATOM 0 HG2 MET A 38 -7.185 -14.636 3.807 1.00 13.13 H new ATOM 0 HG3 MET A 38 -6.818 -12.925 3.717 1.00 13.13 H new ATOM 0 HE1 MET A 38 -8.819 -11.932 0.396 1.00 71.30 H new ATOM 0 HE2 MET A 38 -7.851 -11.278 1.739 1.00 71.30 H new ATOM 0 HE3 MET A 38 -7.111 -12.402 0.574 1.00 71.30 H new ATOM 615 N GLY A 39 -2.147 -14.364 2.224 1.00 44.52 N ATOM 616 CA GLY A 39 -0.984 -14.812 1.439 1.00 65.44 C ATOM 617 C GLY A 39 -0.900 -14.188 0.047 1.00 65.42 C ATOM 618 O GLY A 39 0.111 -14.363 -0.651 1.00 53.41 O ATOM 0 H GLY A 39 -1.936 -13.615 2.883 1.00 44.52 H new ATOM 0 HA2 GLY A 39 -0.073 -14.574 1.989 1.00 65.44 H new ATOM 0 HA3 GLY A 39 -1.022 -15.897 1.339 1.00 65.44 H new ATOM 622 N LYS A 40 -1.963 -13.463 -0.354 1.00 74.41 N ATOM 623 CA LYS A 40 -2.059 -12.775 -1.656 1.00 70.22 C ATOM 624 C LYS A 40 -1.234 -11.472 -1.610 1.00 31.15 C ATOM 625 O LYS A 40 -1.788 -10.370 -1.608 1.00 24.33 O ATOM 626 CB LYS A 40 -3.552 -12.468 -1.973 1.00 72.34 C ATOM 627 CG LYS A 40 -4.463 -13.705 -2.096 1.00 71.34 C ATOM 628 CD LYS A 40 -5.967 -13.327 -2.238 1.00 73.33 C ATOM 629 CE LYS A 40 -6.790 -14.420 -2.936 1.00 54.23 C ATOM 630 NZ LYS A 40 -6.331 -14.633 -4.334 1.00 63.33 N ATOM 0 H LYS A 40 -2.792 -13.337 0.227 1.00 74.41 H new ATOM 0 HA LYS A 40 -1.660 -13.414 -2.443 1.00 70.22 H new ATOM 0 HB2 LYS A 40 -3.948 -11.821 -1.190 1.00 72.34 H new ATOM 0 HB3 LYS A 40 -3.601 -11.906 -2.906 1.00 72.34 H new ATOM 0 HG2 LYS A 40 -4.156 -14.293 -2.961 1.00 71.34 H new ATOM 0 HG3 LYS A 40 -4.332 -14.337 -1.218 1.00 71.34 H new ATOM 0 HD2 LYS A 40 -6.385 -13.139 -1.249 1.00 73.33 H new ATOM 0 HD3 LYS A 40 -6.052 -12.398 -2.802 1.00 73.33 H new ATOM 0 HE2 LYS A 40 -6.707 -15.353 -2.378 1.00 54.23 H new ATOM 0 HE3 LYS A 40 -7.844 -14.141 -2.936 1.00 54.23 H new ATOM 0 HZ1 LYS A 40 -7.111 -15.025 -4.899 1.00 63.33 H new ATOM 0 HZ2 LYS A 40 -6.030 -13.725 -4.742 1.00 63.33 H new ATOM 0 HZ3 LYS A 40 -5.531 -15.298 -4.339 1.00 63.33 H new ATOM 644 N ALA A 41 0.095 -11.620 -1.547 1.00 14.04 N ATOM 645 CA ALA A 41 1.026 -10.503 -1.343 1.00 52.51 C ATOM 646 C ALA A 41 1.330 -9.752 -2.650 1.00 13.52 C ATOM 647 O ALA A 41 1.832 -8.623 -2.603 1.00 73.51 O ATOM 648 CB ALA A 41 2.296 -11.011 -0.674 1.00 23.13 C ATOM 0 H ALA A 41 0.558 -12.524 -1.637 1.00 14.04 H new ATOM 0 HA ALA A 41 0.549 -9.777 -0.684 1.00 52.51 H new ATOM 0 HB1 ALA A 41 2.985 -10.180 -0.524 1.00 23.13 H new ATOM 0 HB2 ALA A 41 2.047 -11.455 0.290 1.00 23.13 H new ATOM 0 HB3 ALA A 41 2.766 -11.762 -1.309 1.00 23.13 H new ATOM 654 N ARG A 42 1.040 -10.390 -3.809 1.00 64.43 N ATOM 655 CA ARG A 42 1.070 -9.709 -5.119 1.00 4.13 C ATOM 656 C ARG A 42 -0.027 -8.628 -5.145 1.00 64.12 C ATOM 657 O ARG A 42 0.251 -7.449 -5.407 1.00 3.10 O ATOM 658 CB ARG A 42 0.859 -10.713 -6.295 1.00 13.21 C ATOM 659 CG ARG A 42 0.695 -10.033 -7.686 1.00 44.53 C ATOM 660 CD ARG A 42 1.959 -9.260 -8.163 1.00 3.22 C ATOM 661 NE ARG A 42 1.648 -8.259 -9.203 1.00 4.13 N ATOM 662 CZ ARG A 42 1.440 -8.501 -10.507 1.00 54.05 C ATOM 663 NH1 ARG A 42 1.499 -9.731 -11.012 1.00 21.24 N ATOM 664 NH2 ARG A 42 1.180 -7.482 -11.315 1.00 5.21 N ATOM 0 H ARG A 42 0.783 -11.376 -3.860 1.00 64.43 H new ATOM 0 HA ARG A 42 2.051 -9.254 -5.251 1.00 4.13 H new ATOM 0 HB2 ARG A 42 1.708 -11.395 -6.333 1.00 13.21 H new ATOM 0 HB3 ARG A 42 -0.026 -11.316 -6.090 1.00 13.21 H new ATOM 0 HG2 ARG A 42 0.447 -10.795 -8.425 1.00 44.53 H new ATOM 0 HG3 ARG A 42 -0.147 -9.342 -7.645 1.00 44.53 H new ATOM 0 HD2 ARG A 42 2.420 -8.762 -7.310 1.00 3.22 H new ATOM 0 HD3 ARG A 42 2.690 -9.969 -8.552 1.00 3.22 H new ATOM 0 HE ARG A 42 1.585 -7.287 -8.901 1.00 4.13 H new ATOM 0 HH11 ARG A 42 1.707 -10.523 -10.403 1.00 21.24 H new ATOM 0 HH12 ARG A 42 1.336 -9.882 -12.008 1.00 21.24 H new ATOM 0 HH21 ARG A 42 1.141 -6.533 -10.943 1.00 5.21 H new ATOM 0 HH22 ARG A 42 1.019 -7.647 -12.309 1.00 5.21 H new ATOM 678 N GLU A 43 -1.268 -9.069 -4.839 1.00 75.32 N ATOM 679 CA GLU A 43 -2.436 -8.185 -4.752 1.00 51.44 C ATOM 680 C GLU A 43 -2.253 -7.163 -3.618 1.00 33.43 C ATOM 681 O GLU A 43 -2.597 -5.999 -3.778 1.00 14.30 O ATOM 682 CB GLU A 43 -3.732 -9.002 -4.531 1.00 24.44 C ATOM 683 CG GLU A 43 -4.133 -9.930 -5.696 1.00 51.32 C ATOM 684 CD GLU A 43 -5.480 -10.634 -5.449 1.00 35.02 C ATOM 685 OE1 GLU A 43 -6.515 -9.935 -5.411 1.00 21.44 O ATOM 686 OE2 GLU A 43 -5.514 -11.874 -5.282 1.00 54.31 O ATOM 0 H GLU A 43 -1.480 -10.048 -4.647 1.00 75.32 H new ATOM 0 HA GLU A 43 -2.525 -7.649 -5.697 1.00 51.44 H new ATOM 0 HB2 GLU A 43 -3.612 -9.606 -3.632 1.00 24.44 H new ATOM 0 HB3 GLU A 43 -4.551 -8.308 -4.342 1.00 24.44 H new ATOM 0 HG2 GLU A 43 -4.193 -9.348 -6.616 1.00 51.32 H new ATOM 0 HG3 GLU A 43 -3.356 -10.680 -5.844 1.00 51.32 H new ATOM 693 N ALA A 44 -1.668 -7.617 -2.490 1.00 65.24 N ATOM 694 CA ALA A 44 -1.442 -6.775 -1.303 1.00 43.30 C ATOM 695 C ALA A 44 -0.610 -5.545 -1.661 1.00 42.55 C ATOM 696 O ALA A 44 -1.062 -4.414 -1.475 1.00 32.31 O ATOM 697 CB ALA A 44 -0.745 -7.578 -0.206 1.00 70.11 C ATOM 0 H ALA A 44 -1.340 -8.577 -2.379 1.00 65.24 H new ATOM 0 HA ALA A 44 -2.412 -6.441 -0.934 1.00 43.30 H new ATOM 0 HB1 ALA A 44 -0.585 -6.942 0.665 1.00 70.11 H new ATOM 0 HB2 ALA A 44 -1.368 -8.427 0.075 1.00 70.11 H new ATOM 0 HB3 ALA A 44 0.216 -7.938 -0.574 1.00 70.11 H new ATOM 703 N ALA A 45 0.577 -5.803 -2.251 1.00 72.11 N ATOM 704 CA ALA A 45 1.518 -4.759 -2.686 1.00 44.43 C ATOM 705 C ALA A 45 0.880 -3.829 -3.735 1.00 55.44 C ATOM 706 O ALA A 45 1.189 -2.635 -3.781 1.00 14.32 O ATOM 707 CB ALA A 45 2.796 -5.408 -3.239 1.00 52.15 C ATOM 0 H ALA A 45 0.908 -6.750 -2.438 1.00 72.11 H new ATOM 0 HA ALA A 45 1.775 -4.147 -1.822 1.00 44.43 H new ATOM 0 HB1 ALA A 45 3.489 -4.631 -3.560 1.00 52.15 H new ATOM 0 HB2 ALA A 45 3.263 -6.012 -2.461 1.00 52.15 H new ATOM 0 HB3 ALA A 45 2.544 -6.042 -4.089 1.00 52.15 H new ATOM 713 N GLU A 46 -0.017 -4.410 -4.565 1.00 31.24 N ATOM 714 CA GLU A 46 -0.754 -3.696 -5.628 1.00 13.22 C ATOM 715 C GLU A 46 -1.652 -2.599 -5.008 1.00 21.23 C ATOM 716 O GLU A 46 -1.588 -1.437 -5.415 1.00 43.34 O ATOM 717 CB GLU A 46 -1.569 -4.740 -6.463 1.00 53.22 C ATOM 718 CG GLU A 46 -2.057 -4.303 -7.871 1.00 71.31 C ATOM 719 CD GLU A 46 -3.173 -3.241 -7.891 1.00 4.04 C ATOM 720 OE1 GLU A 46 -4.174 -3.394 -7.148 1.00 41.12 O ATOM 721 OE2 GLU A 46 -3.066 -2.258 -8.664 1.00 10.41 O ATOM 0 H GLU A 46 -0.251 -5.401 -4.513 1.00 31.24 H new ATOM 0 HA GLU A 46 -0.063 -3.190 -6.302 1.00 13.22 H new ATOM 0 HB2 GLU A 46 -0.953 -5.632 -6.581 1.00 53.22 H new ATOM 0 HB3 GLU A 46 -2.442 -5.031 -5.879 1.00 53.22 H new ATOM 0 HG2 GLU A 46 -1.203 -3.917 -8.428 1.00 71.31 H new ATOM 0 HG3 GLU A 46 -2.411 -5.186 -8.403 1.00 71.31 H new ATOM 728 N TYR A 47 -2.448 -2.978 -3.986 1.00 70.43 N ATOM 729 CA TYR A 47 -3.363 -2.044 -3.292 1.00 33.05 C ATOM 730 C TYR A 47 -2.596 -1.051 -2.407 1.00 53.51 C ATOM 731 O TYR A 47 -3.041 0.087 -2.230 1.00 21.45 O ATOM 732 CB TYR A 47 -4.384 -2.798 -2.415 1.00 31.24 C ATOM 733 CG TYR A 47 -5.281 -3.773 -3.172 1.00 51.44 C ATOM 734 CD1 TYR A 47 -6.187 -3.328 -4.128 1.00 54.21 C ATOM 735 CD2 TYR A 47 -5.238 -5.137 -2.909 1.00 42.23 C ATOM 736 CE1 TYR A 47 -7.007 -4.212 -4.795 1.00 73.11 C ATOM 737 CE2 TYR A 47 -6.047 -6.019 -3.575 1.00 65.45 C ATOM 738 CZ TYR A 47 -6.930 -5.562 -4.516 1.00 31.40 C ATOM 739 OH TYR A 47 -7.745 -6.458 -5.176 1.00 70.14 O ATOM 0 H TYR A 47 -2.476 -3.930 -3.621 1.00 70.43 H new ATOM 0 HA TYR A 47 -3.890 -1.497 -4.074 1.00 33.05 H new ATOM 0 HB2 TYR A 47 -3.844 -3.347 -1.644 1.00 31.24 H new ATOM 0 HB3 TYR A 47 -5.013 -2.068 -1.905 1.00 31.24 H new ATOM 0 HD1 TYR A 47 -6.249 -2.273 -4.351 1.00 54.21 H new ATOM 0 HD2 TYR A 47 -4.552 -5.510 -2.163 1.00 42.23 H new ATOM 0 HE1 TYR A 47 -7.707 -3.850 -5.533 1.00 73.11 H new ATOM 0 HE2 TYR A 47 -5.988 -7.075 -3.358 1.00 65.45 H new ATOM 0 HH TYR A 47 -7.558 -7.366 -4.858 1.00 70.14 H new ATOM 749 N PHE A 48 -1.460 -1.512 -1.834 1.00 60.33 N ATOM 750 CA PHE A 48 -0.563 -0.662 -1.021 1.00 51.11 C ATOM 751 C PHE A 48 0.048 0.444 -1.886 1.00 31.42 C ATOM 752 O PHE A 48 0.334 1.530 -1.389 1.00 12.52 O ATOM 753 CB PHE A 48 0.586 -1.495 -0.374 1.00 63.54 C ATOM 754 CG PHE A 48 0.161 -2.488 0.709 1.00 72.54 C ATOM 755 CD1 PHE A 48 -0.887 -2.200 1.569 1.00 23.40 C ATOM 756 CD2 PHE A 48 0.843 -3.697 0.888 1.00 21.23 C ATOM 757 CE1 PHE A 48 -1.249 -3.079 2.563 1.00 43.13 C ATOM 758 CE2 PHE A 48 0.476 -4.583 1.884 1.00 43.24 C ATOM 759 CZ PHE A 48 -0.568 -4.272 2.723 1.00 15.02 C ATOM 0 H PHE A 48 -1.142 -2.477 -1.922 1.00 60.33 H new ATOM 0 HA PHE A 48 -1.165 -0.223 -0.225 1.00 51.11 H new ATOM 0 HB2 PHE A 48 1.099 -2.045 -1.163 1.00 63.54 H new ATOM 0 HB3 PHE A 48 1.311 -0.805 0.057 1.00 63.54 H new ATOM 0 HD1 PHE A 48 -1.427 -1.272 1.457 1.00 23.40 H new ATOM 0 HD2 PHE A 48 1.670 -3.942 0.237 1.00 21.23 H new ATOM 0 HE1 PHE A 48 -2.069 -2.836 3.222 1.00 43.13 H new ATOM 0 HE2 PHE A 48 1.007 -5.516 2.003 1.00 43.24 H new ATOM 0 HZ PHE A 48 -0.856 -4.958 3.506 1.00 15.02 H new ATOM 769 N PHE A 49 0.255 0.126 -3.176 1.00 42.15 N ATOM 770 CA PHE A 49 0.803 1.058 -4.163 1.00 15.40 C ATOM 771 C PHE A 49 -0.207 2.162 -4.485 1.00 21.24 C ATOM 772 O PHE A 49 0.128 3.347 -4.434 1.00 62.42 O ATOM 773 CB PHE A 49 1.211 0.300 -5.454 1.00 44.02 C ATOM 774 CG PHE A 49 1.905 1.182 -6.482 1.00 71.45 C ATOM 775 CD1 PHE A 49 3.007 1.943 -6.107 1.00 75.21 C ATOM 776 CD2 PHE A 49 1.473 1.257 -7.811 1.00 12.30 C ATOM 777 CE1 PHE A 49 3.647 2.745 -7.011 1.00 61.32 C ATOM 778 CE2 PHE A 49 2.130 2.070 -8.717 1.00 22.52 C ATOM 779 CZ PHE A 49 3.221 2.811 -8.311 1.00 64.03 C ATOM 0 H PHE A 49 0.043 -0.795 -3.561 1.00 42.15 H new ATOM 0 HA PHE A 49 1.692 1.524 -3.738 1.00 15.40 H new ATOM 0 HB2 PHE A 49 1.873 -0.524 -5.188 1.00 44.02 H new ATOM 0 HB3 PHE A 49 0.321 -0.139 -5.905 1.00 44.02 H new ATOM 0 HD1 PHE A 49 3.362 1.900 -5.088 1.00 75.21 H new ATOM 0 HD2 PHE A 49 0.621 0.676 -8.131 1.00 12.30 H new ATOM 0 HE1 PHE A 49 4.497 3.332 -6.697 1.00 61.32 H new ATOM 0 HE2 PHE A 49 1.790 2.125 -9.740 1.00 22.52 H new ATOM 0 HZ PHE A 49 3.739 3.443 -9.018 1.00 64.03 H new ATOM 789 N ARG A 50 -1.443 1.743 -4.804 1.00 21.02 N ATOM 790 CA ARG A 50 -2.562 2.651 -5.131 1.00 34.10 C ATOM 791 C ARG A 50 -2.857 3.581 -3.938 1.00 35.40 C ATOM 792 O ARG A 50 -3.100 4.781 -4.105 1.00 53.33 O ATOM 793 CB ARG A 50 -3.821 1.820 -5.469 1.00 52.34 C ATOM 794 CG ARG A 50 -3.622 0.754 -6.563 1.00 52.32 C ATOM 795 CD ARG A 50 -4.849 -0.166 -6.731 1.00 14.32 C ATOM 796 NE ARG A 50 -6.049 0.540 -7.214 1.00 15.32 N ATOM 797 CZ ARG A 50 -7.270 -0.018 -7.346 1.00 3.51 C ATOM 798 NH1 ARG A 50 -7.482 -1.300 -7.034 1.00 42.41 N ATOM 799 NH2 ARG A 50 -8.281 0.732 -7.759 1.00 20.13 N ATOM 0 H ARG A 50 -1.699 0.756 -4.843 1.00 21.02 H new ATOM 0 HA ARG A 50 -2.286 3.259 -5.992 1.00 34.10 H new ATOM 0 HB2 ARG A 50 -4.167 1.327 -4.561 1.00 52.34 H new ATOM 0 HB3 ARG A 50 -4.613 2.499 -5.784 1.00 52.34 H new ATOM 0 HG2 ARG A 50 -3.411 1.248 -7.511 1.00 52.32 H new ATOM 0 HG3 ARG A 50 -2.750 0.148 -6.319 1.00 52.32 H new ATOM 0 HD2 ARG A 50 -4.601 -0.965 -7.429 1.00 14.32 H new ATOM 0 HD3 ARG A 50 -5.074 -0.637 -5.774 1.00 14.32 H new ATOM 0 HE ARG A 50 -5.949 1.523 -7.467 1.00 15.32 H new ATOM 0 HH11 ARG A 50 -6.713 -1.875 -6.689 1.00 42.41 H new ATOM 0 HH12 ARG A 50 -8.413 -1.704 -7.141 1.00 42.41 H new ATOM 0 HH21 ARG A 50 -8.131 1.718 -7.973 1.00 20.13 H new ATOM 0 HH22 ARG A 50 -9.210 0.323 -7.863 1.00 20.13 H new ATOM 813 N ALA A 51 -2.804 2.981 -2.735 1.00 42.24 N ATOM 814 CA ALA A 51 -2.987 3.676 -1.459 1.00 52.24 C ATOM 815 C ALA A 51 -1.859 4.687 -1.224 1.00 14.43 C ATOM 816 O ALA A 51 -2.120 5.816 -0.814 1.00 62.03 O ATOM 817 CB ALA A 51 -3.028 2.652 -0.320 1.00 13.13 C ATOM 0 H ALA A 51 -2.629 1.982 -2.626 1.00 42.24 H new ATOM 0 HA ALA A 51 -3.930 4.222 -1.488 1.00 52.24 H new ATOM 0 HB1 ALA A 51 -3.164 3.169 0.630 1.00 13.13 H new ATOM 0 HB2 ALA A 51 -3.857 1.963 -0.480 1.00 13.13 H new ATOM 0 HB3 ALA A 51 -2.092 2.094 -0.298 1.00 13.13 H new ATOM 823 N ALA A 52 -0.613 4.264 -1.530 1.00 32.14 N ATOM 824 CA ALA A 52 0.602 5.086 -1.317 1.00 40.14 C ATOM 825 C ALA A 52 0.563 6.360 -2.173 1.00 31.44 C ATOM 826 O ALA A 52 0.981 7.423 -1.721 1.00 32.23 O ATOM 827 CB ALA A 52 1.876 4.274 -1.615 1.00 50.53 C ATOM 0 H ALA A 52 -0.420 3.346 -1.931 1.00 32.14 H new ATOM 0 HA ALA A 52 0.623 5.382 -0.268 1.00 40.14 H new ATOM 0 HB1 ALA A 52 2.753 4.900 -1.451 1.00 50.53 H new ATOM 0 HB2 ALA A 52 1.919 3.409 -0.954 1.00 50.53 H new ATOM 0 HB3 ALA A 52 1.859 3.938 -2.652 1.00 50.53 H new ATOM 833 N ILE A 53 0.041 6.221 -3.412 1.00 71.11 N ATOM 834 CA ILE A 53 -0.203 7.348 -4.337 1.00 62.14 C ATOM 835 C ILE A 53 -1.144 8.390 -3.689 1.00 1.12 C ATOM 836 O ILE A 53 -0.916 9.600 -3.794 1.00 13.23 O ATOM 837 CB ILE A 53 -0.824 6.836 -5.704 1.00 62.42 C ATOM 838 CG1 ILE A 53 0.143 5.844 -6.425 1.00 1.51 C ATOM 839 CG2 ILE A 53 -1.196 8.010 -6.641 1.00 2.40 C ATOM 840 CD1 ILE A 53 -0.418 5.178 -7.669 1.00 52.13 C ATOM 0 H ILE A 53 -0.225 5.316 -3.800 1.00 71.11 H new ATOM 0 HA ILE A 53 0.756 7.821 -4.547 1.00 62.14 H new ATOM 0 HB ILE A 53 -1.743 6.304 -5.459 1.00 62.42 H new ATOM 0 HG12 ILE A 53 1.050 6.382 -6.699 1.00 1.51 H new ATOM 0 HG13 ILE A 53 0.434 5.068 -5.717 1.00 1.51 H new ATOM 0 HG21 ILE A 53 -1.618 7.617 -7.566 1.00 2.40 H new ATOM 0 HG22 ILE A 53 -1.930 8.649 -6.150 1.00 2.40 H new ATOM 0 HG23 ILE A 53 -0.303 8.592 -6.868 1.00 2.40 H new ATOM 0 HD11 ILE A 53 0.331 4.510 -8.093 1.00 52.13 H new ATOM 0 HD12 ILE A 53 -1.307 4.605 -7.406 1.00 52.13 H new ATOM 0 HD13 ILE A 53 -0.681 5.940 -8.402 1.00 52.13 H new ATOM 852 N VAL A 54 -2.188 7.893 -2.999 1.00 14.10 N ATOM 853 CA VAL A 54 -3.206 8.740 -2.356 1.00 24.14 C ATOM 854 C VAL A 54 -2.631 9.453 -1.120 1.00 45.33 C ATOM 855 O VAL A 54 -2.832 10.649 -0.945 1.00 75.20 O ATOM 856 CB VAL A 54 -4.487 7.921 -1.982 1.00 22.15 C ATOM 857 CG1 VAL A 54 -5.566 8.814 -1.322 1.00 24.53 C ATOM 858 CG2 VAL A 54 -5.047 7.205 -3.232 1.00 50.24 C ATOM 0 H VAL A 54 -2.348 6.894 -2.873 1.00 14.10 H new ATOM 0 HA VAL A 54 -3.502 9.499 -3.080 1.00 24.14 H new ATOM 0 HB VAL A 54 -4.202 7.168 -1.247 1.00 22.15 H new ATOM 0 HG11 VAL A 54 -6.439 8.209 -1.077 1.00 24.53 H new ATOM 0 HG12 VAL A 54 -5.164 9.257 -0.411 1.00 24.53 H new ATOM 0 HG13 VAL A 54 -5.855 9.606 -2.013 1.00 24.53 H new ATOM 0 HG21 VAL A 54 -5.938 6.639 -2.959 1.00 50.24 H new ATOM 0 HG22 VAL A 54 -5.306 7.945 -3.990 1.00 50.24 H new ATOM 0 HG23 VAL A 54 -4.293 6.526 -3.630 1.00 50.24 H new ATOM 868 N PHE A 55 -1.874 8.723 -0.297 1.00 23.03 N ATOM 869 CA PHE A 55 -1.222 9.296 0.903 1.00 62.14 C ATOM 870 C PHE A 55 -0.144 10.337 0.508 1.00 63.23 C ATOM 871 O PHE A 55 0.146 11.265 1.261 1.00 74.40 O ATOM 872 CB PHE A 55 -0.615 8.169 1.765 1.00 21.44 C ATOM 873 CG PHE A 55 -1.634 7.148 2.296 1.00 53.40 C ATOM 874 CD1 PHE A 55 -2.794 7.565 2.951 1.00 44.12 C ATOM 875 CD2 PHE A 55 -1.415 5.773 2.174 1.00 51.41 C ATOM 876 CE1 PHE A 55 -3.697 6.638 3.453 1.00 74.40 C ATOM 877 CE2 PHE A 55 -2.321 4.855 2.673 1.00 32.51 C ATOM 878 CZ PHE A 55 -3.454 5.288 3.317 1.00 25.22 C ATOM 0 H PHE A 55 -1.692 7.729 -0.433 1.00 23.03 H new ATOM 0 HA PHE A 55 -1.978 9.815 1.493 1.00 62.14 H new ATOM 0 HB2 PHE A 55 0.134 7.641 1.174 1.00 21.44 H new ATOM 0 HB3 PHE A 55 -0.095 8.617 2.612 1.00 21.44 H new ATOM 0 HD1 PHE A 55 -2.991 8.620 3.068 1.00 44.12 H new ATOM 0 HD2 PHE A 55 -0.521 5.421 1.681 1.00 51.41 H new ATOM 0 HE1 PHE A 55 -4.593 6.976 3.952 1.00 74.40 H new ATOM 0 HE2 PHE A 55 -2.137 3.797 2.556 1.00 32.51 H new ATOM 0 HZ PHE A 55 -4.155 4.570 3.717 1.00 25.22 H new ATOM 888 N TYR A 56 0.426 10.149 -0.688 1.00 31.25 N ATOM 889 CA TYR A 56 1.427 11.049 -1.288 1.00 34.21 C ATOM 890 C TYR A 56 0.784 12.361 -1.800 1.00 63.52 C ATOM 891 O TYR A 56 1.299 13.452 -1.534 1.00 24.23 O ATOM 892 CB TYR A 56 2.142 10.294 -2.434 1.00 22.15 C ATOM 893 CG TYR A 56 3.100 11.132 -3.278 1.00 10.22 C ATOM 894 CD1 TYR A 56 4.218 11.748 -2.711 1.00 25.15 C ATOM 895 CD2 TYR A 56 2.887 11.305 -4.646 1.00 32.45 C ATOM 896 CE1 TYR A 56 5.084 12.500 -3.477 1.00 75.23 C ATOM 897 CE2 TYR A 56 3.748 12.054 -5.411 1.00 3.45 C ATOM 898 CZ TYR A 56 4.847 12.649 -4.826 1.00 44.01 C ATOM 899 OH TYR A 56 5.711 13.399 -5.597 1.00 53.13 O ATOM 0 H TYR A 56 0.202 9.350 -1.281 1.00 31.25 H new ATOM 0 HA TYR A 56 2.152 11.337 -0.527 1.00 34.21 H new ATOM 0 HB2 TYR A 56 2.698 9.461 -2.005 1.00 22.15 H new ATOM 0 HB3 TYR A 56 1.385 9.867 -3.092 1.00 22.15 H new ATOM 0 HD1 TYR A 56 4.408 11.633 -1.654 1.00 25.15 H new ATOM 0 HD2 TYR A 56 2.030 10.842 -5.112 1.00 32.45 H new ATOM 0 HE1 TYR A 56 5.943 12.970 -3.022 1.00 75.23 H new ATOM 0 HE2 TYR A 56 3.565 12.177 -6.468 1.00 3.45 H new ATOM 0 HH TYR A 56 5.401 13.403 -6.527 1.00 53.13 H new ATOM 909 N LYS A 57 -0.330 12.244 -2.557 1.00 70.23 N ATOM 910 CA LYS A 57 -1.073 13.421 -3.090 1.00 55.44 C ATOM 911 C LYS A 57 -1.761 14.220 -1.962 1.00 25.44 C ATOM 912 O LYS A 57 -2.017 15.420 -2.111 1.00 25.10 O ATOM 913 CB LYS A 57 -2.116 12.986 -4.158 1.00 4.11 C ATOM 914 CG LYS A 57 -3.325 12.202 -3.607 1.00 62.05 C ATOM 915 CD LYS A 57 -4.249 11.635 -4.706 1.00 3.32 C ATOM 916 CE LYS A 57 -3.570 10.589 -5.596 1.00 51.52 C ATOM 917 NZ LYS A 57 -4.426 10.181 -6.745 1.00 33.14 N ATOM 0 H LYS A 57 -0.739 11.346 -2.816 1.00 70.23 H new ATOM 0 HA LYS A 57 -0.341 14.075 -3.565 1.00 55.44 H new ATOM 0 HB2 LYS A 57 -2.482 13.876 -4.670 1.00 4.11 H new ATOM 0 HB3 LYS A 57 -1.614 12.372 -4.905 1.00 4.11 H new ATOM 0 HG2 LYS A 57 -2.963 11.380 -2.989 1.00 62.05 H new ATOM 0 HG3 LYS A 57 -3.906 12.857 -2.958 1.00 62.05 H new ATOM 0 HD2 LYS A 57 -5.126 11.188 -4.237 1.00 3.32 H new ATOM 0 HD3 LYS A 57 -4.605 12.455 -5.330 1.00 3.32 H new ATOM 0 HE2 LYS A 57 -2.629 10.991 -5.972 1.00 51.52 H new ATOM 0 HE3 LYS A 57 -3.325 9.711 -4.998 1.00 51.52 H new ATOM 0 HZ1 LYS A 57 -4.030 9.327 -7.187 1.00 33.14 H new ATOM 0 HZ2 LYS A 57 -5.389 9.981 -6.407 1.00 33.14 H new ATOM 0 HZ3 LYS A 57 -4.458 10.950 -7.444 1.00 33.14 H new ATOM 931 N GLU A 58 -2.079 13.527 -0.850 1.00 65.53 N ATOM 932 CA GLU A 58 -2.603 14.158 0.378 1.00 54.44 C ATOM 933 C GLU A 58 -1.462 14.665 1.270 1.00 72.31 C ATOM 934 O GLU A 58 -1.702 15.413 2.225 1.00 52.44 O ATOM 935 CB GLU A 58 -3.483 13.148 1.159 1.00 11.33 C ATOM 936 CG GLU A 58 -4.747 12.700 0.404 1.00 42.52 C ATOM 937 CD GLU A 58 -5.610 13.876 -0.092 1.00 11.43 C ATOM 938 OE1 GLU A 58 -5.937 14.766 0.727 1.00 20.14 O ATOM 939 OE2 GLU A 58 -5.971 13.914 -1.292 1.00 62.33 O ATOM 0 H GLU A 58 -1.980 12.514 -0.778 1.00 65.53 H new ATOM 0 HA GLU A 58 -3.211 15.015 0.088 1.00 54.44 H new ATOM 0 HB2 GLU A 58 -2.884 12.269 1.397 1.00 11.33 H new ATOM 0 HB3 GLU A 58 -3.779 13.598 2.107 1.00 11.33 H new ATOM 0 HG2 GLU A 58 -4.454 12.088 -0.449 1.00 42.52 H new ATOM 0 HG3 GLU A 58 -5.348 12.068 1.058 1.00 42.52 H new ATOM 946 N HIS A 59 -0.229 14.241 0.929 1.00 42.41 N ATOM 947 CA HIS A 59 1.020 14.630 1.610 1.00 40.01 C ATOM 948 C HIS A 59 1.051 14.144 3.071 1.00 5.22 C ATOM 949 O HIS A 59 1.826 14.641 3.886 1.00 32.43 O ATOM 950 CB HIS A 59 1.271 16.160 1.481 1.00 14.44 C ATOM 951 CG HIS A 59 1.372 16.616 0.051 1.00 21.35 C ATOM 952 ND1 HIS A 59 2.529 16.545 -0.678 1.00 15.13 N ATOM 953 CD2 HIS A 59 0.435 17.092 -0.795 1.00 14.11 C ATOM 954 CE1 HIS A 59 2.306 16.958 -1.902 1.00 65.41 C ATOM 955 NE2 HIS A 59 1.041 17.295 -2.002 1.00 41.54 N ATOM 0 H HIS A 59 -0.071 13.601 0.151 1.00 42.41 H new ATOM 0 HA HIS A 59 1.847 14.128 1.108 1.00 40.01 H new ATOM 0 HB2 HIS A 59 0.461 16.699 1.973 1.00 14.44 H new ATOM 0 HB3 HIS A 59 2.191 16.418 2.006 1.00 14.44 H new ATOM 0 HD2 HIS A 59 -0.603 17.278 -0.561 1.00 14.11 H new ATOM 0 HE1 HIS A 59 3.039 17.012 -2.694 1.00 65.41 H new ATOM 0 HE2 HIS A 59 0.586 17.650 -2.843 1.00 41.54 H new ATOM 964 N ASP A 60 0.239 13.115 3.366 1.00 22.13 N ATOM 965 CA ASP A 60 0.154 12.501 4.690 1.00 63.21 C ATOM 966 C ASP A 60 1.312 11.503 4.833 1.00 71.12 C ATOM 967 O ASP A 60 1.209 10.350 4.394 1.00 40.44 O ATOM 968 CB ASP A 60 -1.228 11.810 4.868 1.00 33.41 C ATOM 969 CG ASP A 60 -1.485 11.349 6.315 1.00 0.41 C ATOM 970 OD1 ASP A 60 -1.991 12.154 7.124 1.00 2.41 O ATOM 971 OD2 ASP A 60 -1.156 10.193 6.666 1.00 71.22 O ATOM 0 H ASP A 60 -0.382 12.686 2.680 1.00 22.13 H new ATOM 0 HA ASP A 60 0.239 13.256 5.472 1.00 63.21 H new ATOM 0 HB2 ASP A 60 -2.016 12.501 4.567 1.00 33.41 H new ATOM 0 HB3 ASP A 60 -1.287 10.949 4.202 1.00 33.41 H new ATOM 976 N THR A 61 2.437 11.995 5.393 1.00 12.52 N ATOM 977 CA THR A 61 3.688 11.228 5.541 1.00 2.10 C ATOM 978 C THR A 61 3.510 9.961 6.381 1.00 21.44 C ATOM 979 O THR A 61 4.154 8.961 6.100 1.00 30.22 O ATOM 980 CB THR A 61 4.819 12.103 6.178 1.00 11.10 C ATOM 981 OG1 THR A 61 4.302 12.834 7.299 1.00 52.50 O ATOM 982 CG2 THR A 61 5.444 13.067 5.171 1.00 74.14 C ATOM 0 H THR A 61 2.501 12.945 5.758 1.00 12.52 H new ATOM 0 HA THR A 61 3.974 10.932 4.532 1.00 2.10 H new ATOM 0 HB THR A 61 5.605 11.425 6.510 1.00 11.10 H new ATOM 0 HG1 THR A 61 5.016 13.377 7.693 1.00 52.50 H new ATOM 0 HG21 THR A 61 6.223 13.651 5.661 1.00 74.14 H new ATOM 0 HG22 THR A 61 5.879 12.501 4.347 1.00 74.14 H new ATOM 0 HG23 THR A 61 4.676 13.738 4.785 1.00 74.14 H new ATOM 990 N ASP A 62 2.657 10.030 7.420 1.00 14.23 N ATOM 991 CA ASP A 62 2.405 8.889 8.322 1.00 71.04 C ATOM 992 C ASP A 62 1.832 7.699 7.543 1.00 33.41 C ATOM 993 O ASP A 62 2.333 6.579 7.653 1.00 13.14 O ATOM 994 CB ASP A 62 1.441 9.292 9.468 1.00 34.35 C ATOM 995 CG ASP A 62 1.080 8.110 10.397 1.00 72.11 C ATOM 996 OD1 ASP A 62 1.945 7.674 11.190 1.00 33.03 O ATOM 997 OD2 ASP A 62 -0.060 7.597 10.329 1.00 70.32 O ATOM 0 H ASP A 62 2.128 10.869 7.657 1.00 14.23 H new ATOM 0 HA ASP A 62 3.358 8.592 8.761 1.00 71.04 H new ATOM 0 HB2 ASP A 62 1.899 10.085 10.059 1.00 34.35 H new ATOM 0 HB3 ASP A 62 0.527 9.702 9.039 1.00 34.35 H new ATOM 1002 N GLY A 63 0.793 7.988 6.743 1.00 23.13 N ATOM 1003 CA GLY A 63 0.114 6.983 5.933 1.00 44.32 C ATOM 1004 C GLY A 63 0.949 6.519 4.752 1.00 44.20 C ATOM 1005 O GLY A 63 0.848 5.365 4.346 1.00 70.21 O ATOM 0 H GLY A 63 0.406 8.927 6.645 1.00 23.13 H new ATOM 0 HA2 GLY A 63 -0.132 6.125 6.558 1.00 44.32 H new ATOM 0 HA3 GLY A 63 -0.828 7.392 5.568 1.00 44.32 H new ATOM 1009 N LEU A 64 1.767 7.433 4.197 1.00 23.41 N ATOM 1010 CA LEU A 64 2.662 7.147 3.055 1.00 10.21 C ATOM 1011 C LEU A 64 3.829 6.247 3.497 1.00 42.30 C ATOM 1012 O LEU A 64 4.252 5.362 2.759 1.00 14.30 O ATOM 1013 CB LEU A 64 3.191 8.484 2.463 1.00 31.32 C ATOM 1014 CG LEU A 64 4.217 8.388 1.279 1.00 15.31 C ATOM 1015 CD1 LEU A 64 3.640 7.661 0.048 1.00 71.43 C ATOM 1016 CD2 LEU A 64 4.731 9.786 0.896 1.00 51.22 C ATOM 0 H LEU A 64 1.827 8.396 4.528 1.00 23.41 H new ATOM 0 HA LEU A 64 2.102 6.616 2.285 1.00 10.21 H new ATOM 0 HB2 LEU A 64 2.334 9.065 2.121 1.00 31.32 H new ATOM 0 HB3 LEU A 64 3.658 9.049 3.270 1.00 31.32 H new ATOM 0 HG LEU A 64 5.054 7.786 1.633 1.00 15.31 H new ATOM 0 HD11 LEU A 64 4.393 7.624 -0.739 1.00 71.43 H new ATOM 0 HD12 LEU A 64 3.355 6.646 0.325 1.00 71.43 H new ATOM 0 HD13 LEU A 64 2.763 8.198 -0.314 1.00 71.43 H new ATOM 0 HD21 LEU A 64 5.441 9.700 0.074 1.00 51.22 H new ATOM 0 HD22 LEU A 64 3.892 10.410 0.587 1.00 51.22 H new ATOM 0 HD23 LEU A 64 5.224 10.240 1.755 1.00 51.22 H new ATOM 1028 N ARG A 65 4.314 6.489 4.727 1.00 5.22 N ATOM 1029 CA ARG A 65 5.390 5.702 5.374 1.00 32.30 C ATOM 1030 C ARG A 65 4.856 4.323 5.775 1.00 64.24 C ATOM 1031 O ARG A 65 5.567 3.326 5.707 1.00 4.41 O ATOM 1032 CB ARG A 65 5.914 6.479 6.620 1.00 34.31 C ATOM 1033 CG ARG A 65 6.940 5.742 7.515 1.00 2.32 C ATOM 1034 CD ARG A 65 7.649 6.694 8.506 1.00 75.23 C ATOM 1035 NE ARG A 65 8.747 7.457 7.872 1.00 41.32 N ATOM 1036 CZ ARG A 65 10.059 7.185 8.006 1.00 21.14 C ATOM 1037 NH1 ARG A 65 10.478 6.158 8.739 1.00 1.25 N ATOM 1038 NH2 ARG A 65 10.955 7.937 7.389 1.00 4.32 N ATOM 0 H ARG A 65 3.967 7.248 5.313 1.00 5.22 H new ATOM 0 HA ARG A 65 6.215 5.557 4.677 1.00 32.30 H new ATOM 0 HB2 ARG A 65 6.368 7.409 6.276 1.00 34.31 H new ATOM 0 HB3 ARG A 65 5.058 6.751 7.237 1.00 34.31 H new ATOM 0 HG2 ARG A 65 6.432 4.954 8.072 1.00 2.32 H new ATOM 0 HG3 ARG A 65 7.686 5.257 6.885 1.00 2.32 H new ATOM 0 HD2 ARG A 65 6.920 7.390 8.921 1.00 75.23 H new ATOM 0 HD3 ARG A 65 8.047 6.115 9.339 1.00 75.23 H new ATOM 0 HE ARG A 65 8.490 8.252 7.287 1.00 41.32 H new ATOM 0 HH11 ARG A 65 9.801 5.559 9.212 1.00 1.25 H new ATOM 0 HH12 ARG A 65 11.476 5.969 8.828 1.00 1.25 H new ATOM 0 HH21 ARG A 65 10.652 8.722 6.812 1.00 4.32 H new ATOM 0 HH22 ARG A 65 11.949 7.732 7.490 1.00 4.32 H new ATOM 1052 N ARG A 66 3.579 4.311 6.174 1.00 52.12 N ATOM 1053 CA ARG A 66 2.834 3.114 6.595 1.00 72.10 C ATOM 1054 C ARG A 66 2.536 2.208 5.380 1.00 41.43 C ATOM 1055 O ARG A 66 2.659 0.979 5.452 1.00 64.14 O ATOM 1056 CB ARG A 66 1.530 3.610 7.276 1.00 42.52 C ATOM 1057 CG ARG A 66 0.649 2.547 7.944 1.00 44.21 C ATOM 1058 CD ARG A 66 -0.604 3.166 8.596 1.00 51.34 C ATOM 1059 NE ARG A 66 -0.262 4.193 9.609 1.00 42.03 N ATOM 1060 CZ ARG A 66 -0.449 4.072 10.933 1.00 14.51 C ATOM 1061 NH1 ARG A 66 -0.991 2.971 11.452 1.00 4.23 N ATOM 1062 NH2 ARG A 66 -0.090 5.063 11.740 1.00 2.44 N ATOM 0 H ARG A 66 3.016 5.160 6.215 1.00 52.12 H new ATOM 0 HA ARG A 66 3.414 2.512 7.294 1.00 72.10 H new ATOM 0 HB2 ARG A 66 1.801 4.349 8.030 1.00 42.52 H new ATOM 0 HB3 ARG A 66 0.930 4.125 6.526 1.00 42.52 H new ATOM 0 HG2 ARG A 66 0.345 1.809 7.202 1.00 44.21 H new ATOM 0 HG3 ARG A 66 1.229 2.018 8.701 1.00 44.21 H new ATOM 0 HD2 ARG A 66 -1.229 3.615 7.824 1.00 51.34 H new ATOM 0 HD3 ARG A 66 -1.194 2.378 9.065 1.00 51.34 H new ATOM 0 HE ARG A 66 0.149 5.063 9.272 1.00 42.03 H new ATOM 0 HH11 ARG A 66 -1.271 2.204 10.841 1.00 4.23 H new ATOM 0 HH12 ARG A 66 -1.126 2.896 12.460 1.00 4.23 H new ATOM 0 HH21 ARG A 66 0.325 5.911 11.353 1.00 2.44 H new ATOM 0 HH22 ARG A 66 -0.230 4.977 12.747 1.00 2.44 H new ATOM 1076 N ALA A 67 2.177 2.857 4.254 1.00 11.23 N ATOM 1077 CA ALA A 67 1.874 2.181 2.980 1.00 53.54 C ATOM 1078 C ALA A 67 3.159 1.714 2.294 1.00 41.43 C ATOM 1079 O ALA A 67 3.171 0.650 1.682 1.00 51.10 O ATOM 1080 CB ALA A 67 1.069 3.099 2.054 1.00 40.21 C ATOM 0 H ALA A 67 2.089 3.872 4.205 1.00 11.23 H new ATOM 0 HA ALA A 67 1.267 1.303 3.200 1.00 53.54 H new ATOM 0 HB1 ALA A 67 0.857 2.579 1.120 1.00 40.21 H new ATOM 0 HB2 ALA A 67 0.131 3.372 2.538 1.00 40.21 H new ATOM 0 HB3 ALA A 67 1.645 4.000 1.845 1.00 40.21 H new ATOM 1086 N ALA A 68 4.235 2.530 2.414 1.00 74.15 N ATOM 1087 CA ALA A 68 5.574 2.200 1.882 1.00 64.15 C ATOM 1088 C ALA A 68 6.137 0.980 2.600 1.00 70.32 C ATOM 1089 O ALA A 68 6.645 0.059 1.964 1.00 64.10 O ATOM 1090 CB ALA A 68 6.540 3.389 2.034 1.00 14.43 C ATOM 0 H ALA A 68 4.196 3.435 2.883 1.00 74.15 H new ATOM 0 HA ALA A 68 5.470 1.978 0.820 1.00 64.15 H new ATOM 0 HB1 ALA A 68 7.517 3.117 1.634 1.00 14.43 H new ATOM 0 HB2 ALA A 68 6.150 4.247 1.487 1.00 14.43 H new ATOM 0 HB3 ALA A 68 6.638 3.646 3.089 1.00 14.43 H new ATOM 1096 N LYS A 69 5.996 1.005 3.941 1.00 33.41 N ATOM 1097 CA LYS A 69 6.427 -0.068 4.854 1.00 2.24 C ATOM 1098 C LYS A 69 5.797 -1.406 4.459 1.00 0.12 C ATOM 1099 O LYS A 69 6.493 -2.403 4.268 1.00 23.54 O ATOM 1100 CB LYS A 69 5.998 0.299 6.305 1.00 13.00 C ATOM 1101 CG LYS A 69 6.301 -0.766 7.382 1.00 74.00 C ATOM 1102 CD LYS A 69 5.661 -0.446 8.753 1.00 0.42 C ATOM 1103 CE LYS A 69 6.102 0.901 9.345 1.00 44.41 C ATOM 1104 NZ LYS A 69 5.447 1.151 10.659 1.00 70.53 N ATOM 0 H LYS A 69 5.569 1.792 4.429 1.00 33.41 H new ATOM 0 HA LYS A 69 7.511 -0.167 4.794 1.00 2.24 H new ATOM 0 HB2 LYS A 69 6.495 1.227 6.588 1.00 13.00 H new ATOM 0 HB3 LYS A 69 4.926 0.498 6.308 1.00 13.00 H new ATOM 0 HG2 LYS A 69 5.940 -1.735 7.037 1.00 74.00 H new ATOM 0 HG3 LYS A 69 7.381 -0.853 7.504 1.00 74.00 H new ATOM 0 HD2 LYS A 69 4.576 -0.447 8.646 1.00 0.42 H new ATOM 0 HD3 LYS A 69 5.913 -1.241 9.455 1.00 0.42 H new ATOM 0 HE2 LYS A 69 7.185 0.910 9.468 1.00 44.41 H new ATOM 0 HE3 LYS A 69 5.853 1.705 8.652 1.00 44.41 H new ATOM 0 HZ1 LYS A 69 5.763 2.067 11.036 1.00 70.53 H new ATOM 0 HZ2 LYS A 69 4.414 1.165 10.535 1.00 70.53 H new ATOM 0 HZ3 LYS A 69 5.705 0.395 11.325 1.00 70.53 H new ATOM 1118 N SER A 70 4.469 -1.388 4.305 1.00 35.22 N ATOM 1119 CA SER A 70 3.684 -2.585 4.011 1.00 24.32 C ATOM 1120 C SER A 70 3.876 -3.047 2.551 1.00 33.22 C ATOM 1121 O SER A 70 3.831 -4.248 2.283 1.00 30.54 O ATOM 1122 CB SER A 70 2.205 -2.305 4.323 1.00 60.44 C ATOM 1123 OG SER A 70 2.050 -1.888 5.672 1.00 40.53 O ATOM 0 H SER A 70 3.909 -0.539 4.382 1.00 35.22 H new ATOM 0 HA SER A 70 4.034 -3.402 4.642 1.00 24.32 H new ATOM 0 HB2 SER A 70 1.826 -1.534 3.652 1.00 60.44 H new ATOM 0 HB3 SER A 70 1.613 -3.203 4.144 1.00 60.44 H new ATOM 0 HG SER A 70 2.338 -0.956 5.761 1.00 40.53 H new ATOM 1129 N LEU A 71 4.110 -2.082 1.627 1.00 54.14 N ATOM 1130 CA LEU A 71 4.306 -2.361 0.182 1.00 74.31 C ATOM 1131 C LEU A 71 5.586 -3.187 0.003 1.00 73.14 C ATOM 1132 O LEU A 71 5.551 -4.281 -0.554 1.00 51.13 O ATOM 1133 CB LEU A 71 4.395 -1.031 -0.644 1.00 63.33 C ATOM 1134 CG LEU A 71 3.878 -1.059 -2.134 1.00 30.45 C ATOM 1135 CD1 LEU A 71 4.006 0.331 -2.768 1.00 52.42 C ATOM 1136 CD2 LEU A 71 4.565 -2.129 -3.014 1.00 43.04 C ATOM 0 H LEU A 71 4.168 -1.091 1.862 1.00 54.14 H new ATOM 0 HA LEU A 71 3.449 -2.923 -0.190 1.00 74.31 H new ATOM 0 HB2 LEU A 71 3.834 -0.265 -0.108 1.00 63.33 H new ATOM 0 HB3 LEU A 71 5.437 -0.713 -0.656 1.00 63.33 H new ATOM 0 HG LEU A 71 2.827 -1.345 -2.087 1.00 30.45 H new ATOM 0 HD11 LEU A 71 3.646 0.297 -3.796 1.00 52.42 H new ATOM 0 HD12 LEU A 71 3.412 1.046 -2.199 1.00 52.42 H new ATOM 0 HD13 LEU A 71 5.051 0.640 -2.760 1.00 52.42 H new ATOM 0 HD21 LEU A 71 4.157 -2.087 -4.024 1.00 43.04 H new ATOM 0 HD22 LEU A 71 5.638 -1.938 -3.048 1.00 43.04 H new ATOM 0 HD23 LEU A 71 4.386 -3.118 -2.591 1.00 43.04 H new ATOM 1148 N LYS A 72 6.698 -2.653 0.540 1.00 45.23 N ATOM 1149 CA LYS A 72 8.041 -3.225 0.349 1.00 71.42 C ATOM 1150 C LYS A 72 8.206 -4.561 1.092 1.00 74.40 C ATOM 1151 O LYS A 72 8.865 -5.482 0.595 1.00 32.32 O ATOM 1152 CB LYS A 72 9.125 -2.190 0.766 1.00 51.03 C ATOM 1153 CG LYS A 72 9.134 -1.788 2.255 1.00 33.25 C ATOM 1154 CD LYS A 72 10.123 -0.635 2.549 1.00 44.43 C ATOM 1155 CE LYS A 72 10.162 -0.235 4.029 1.00 60.42 C ATOM 1156 NZ LYS A 72 10.537 -1.378 4.899 1.00 54.02 N ATOM 0 H LYS A 72 6.690 -1.813 1.118 1.00 45.23 H new ATOM 0 HA LYS A 72 8.171 -3.447 -0.710 1.00 71.42 H new ATOM 0 HB2 LYS A 72 10.104 -2.596 0.513 1.00 51.03 H new ATOM 0 HB3 LYS A 72 8.989 -1.289 0.167 1.00 51.03 H new ATOM 0 HG2 LYS A 72 8.130 -1.487 2.553 1.00 33.25 H new ATOM 0 HG3 LYS A 72 9.400 -2.654 2.861 1.00 33.25 H new ATOM 0 HD2 LYS A 72 11.123 -0.933 2.233 1.00 44.43 H new ATOM 0 HD3 LYS A 72 9.846 0.234 1.952 1.00 44.43 H new ATOM 0 HE2 LYS A 72 10.876 0.577 4.167 1.00 60.42 H new ATOM 0 HE3 LYS A 72 9.185 0.145 4.329 1.00 60.42 H new ATOM 0 HZ1 LYS A 72 11.267 -1.075 5.575 1.00 54.02 H new ATOM 0 HZ2 LYS A 72 9.699 -1.708 5.419 1.00 54.02 H new ATOM 0 HZ3 LYS A 72 10.908 -2.153 4.313 1.00 54.02 H new ATOM 1170 N GLU A 73 7.556 -4.673 2.261 1.00 63.35 N ATOM 1171 CA GLU A 73 7.585 -5.889 3.092 1.00 62.31 C ATOM 1172 C GLU A 73 6.442 -6.858 2.709 1.00 63.24 C ATOM 1173 O GLU A 73 6.273 -7.903 3.340 1.00 43.41 O ATOM 1174 CB GLU A 73 7.552 -5.481 4.588 1.00 3.32 C ATOM 1175 CG GLU A 73 8.786 -4.643 5.020 1.00 50.10 C ATOM 1176 CD GLU A 73 8.702 -4.078 6.450 1.00 55.42 C ATOM 1177 OE1 GLU A 73 8.539 -4.866 7.405 1.00 1.41 O ATOM 1178 OE2 GLU A 73 8.798 -2.842 6.627 1.00 13.22 O ATOM 0 H GLU A 73 6.993 -3.921 2.659 1.00 63.35 H new ATOM 0 HA GLU A 73 8.510 -6.437 2.911 1.00 62.31 H new ATOM 0 HB2 GLU A 73 6.645 -4.908 4.782 1.00 3.32 H new ATOM 0 HB3 GLU A 73 7.498 -6.380 5.202 1.00 3.32 H new ATOM 0 HG2 GLU A 73 9.678 -5.264 4.940 1.00 50.10 H new ATOM 0 HG3 GLU A 73 8.910 -3.815 4.322 1.00 50.10 H new ATOM 1185 N ALA A 74 5.656 -6.503 1.667 1.00 62.51 N ATOM 1186 CA ALA A 74 4.737 -7.445 1.004 1.00 31.24 C ATOM 1187 C ALA A 74 5.526 -8.349 0.042 1.00 5.45 C ATOM 1188 O ALA A 74 5.128 -9.485 -0.192 1.00 13.21 O ATOM 1189 CB ALA A 74 3.611 -6.702 0.260 1.00 65.44 C ATOM 0 H ALA A 74 5.643 -5.564 1.268 1.00 62.51 H new ATOM 0 HA ALA A 74 4.266 -8.064 1.768 1.00 31.24 H new ATOM 0 HB1 ALA A 74 2.951 -7.426 -0.218 1.00 65.44 H new ATOM 0 HB2 ALA A 74 3.040 -6.103 0.969 1.00 65.44 H new ATOM 0 HB3 ALA A 74 4.044 -6.050 -0.499 1.00 65.44 H new ATOM 1195 N ILE A 75 6.669 -7.833 -0.489 1.00 73.23 N ATOM 1196 CA ILE A 75 7.568 -8.592 -1.402 1.00 63.14 C ATOM 1197 C ILE A 75 8.164 -9.825 -0.692 1.00 62.44 C ATOM 1198 O ILE A 75 8.243 -10.911 -1.283 1.00 13.04 O ATOM 1199 CB ILE A 75 8.717 -7.681 -2.031 1.00 63.20 C ATOM 1200 CG1 ILE A 75 8.156 -6.740 -3.158 1.00 35.20 C ATOM 1201 CG2 ILE A 75 9.900 -8.524 -2.596 1.00 72.10 C ATOM 1202 CD1 ILE A 75 7.211 -5.644 -2.710 1.00 15.21 C ATOM 0 H ILE A 75 6.991 -6.884 -0.297 1.00 73.23 H new ATOM 0 HA ILE A 75 6.953 -8.936 -2.233 1.00 63.14 H new ATOM 0 HB ILE A 75 9.097 -7.069 -1.213 1.00 63.20 H new ATOM 0 HG12 ILE A 75 9.000 -6.276 -3.668 1.00 35.20 H new ATOM 0 HG13 ILE A 75 7.640 -7.357 -3.893 1.00 35.20 H new ATOM 0 HG21 ILE A 75 10.655 -7.858 -3.013 1.00 72.10 H new ATOM 0 HG22 ILE A 75 10.341 -9.116 -1.794 1.00 72.10 H new ATOM 0 HG23 ILE A 75 9.532 -9.189 -3.377 1.00 72.10 H new ATOM 0 HD11 ILE A 75 6.892 -5.062 -3.575 1.00 15.21 H new ATOM 0 HD12 ILE A 75 6.339 -6.089 -2.230 1.00 15.21 H new ATOM 0 HD13 ILE A 75 7.721 -4.991 -2.002 1.00 15.21 H new ATOM 1214 N THR A 76 8.530 -9.658 0.586 1.00 14.33 N ATOM 1215 CA THR A 76 9.059 -10.759 1.417 1.00 15.03 C ATOM 1216 C THR A 76 7.974 -11.835 1.701 1.00 5.15 C ATOM 1217 O THR A 76 8.292 -12.948 2.128 1.00 34.13 O ATOM 1218 CB THR A 76 9.643 -10.190 2.752 1.00 73.00 C ATOM 1219 OG1 THR A 76 8.655 -9.375 3.394 1.00 60.32 O ATOM 1220 CG2 THR A 76 10.912 -9.348 2.507 1.00 31.22 C ATOM 0 H THR A 76 8.470 -8.764 1.074 1.00 14.33 H new ATOM 0 HA THR A 76 9.860 -11.248 0.862 1.00 15.03 H new ATOM 0 HB THR A 76 9.913 -11.034 3.386 1.00 73.00 H new ATOM 0 HG1 THR A 76 9.019 -9.019 4.231 1.00 60.32 H new ATOM 0 HG21 THR A 76 11.287 -8.971 3.458 1.00 31.22 H new ATOM 0 HG22 THR A 76 11.675 -9.968 2.036 1.00 31.22 H new ATOM 0 HG23 THR A 76 10.672 -8.510 1.853 1.00 31.22 H new ATOM 1228 N ALA A 77 6.703 -11.483 1.441 1.00 13.45 N ATOM 1229 CA ALA A 77 5.544 -12.389 1.585 1.00 12.51 C ATOM 1230 C ALA A 77 5.093 -12.977 0.218 1.00 24.33 C ATOM 1231 O ALA A 77 4.300 -13.926 0.192 1.00 34.44 O ATOM 1232 CB ALA A 77 4.391 -11.624 2.269 1.00 33.51 C ATOM 0 H ALA A 77 6.446 -10.549 1.121 1.00 13.45 H new ATOM 0 HA ALA A 77 5.838 -13.237 2.204 1.00 12.51 H new ATOM 0 HB1 ALA A 77 3.531 -12.285 2.380 1.00 33.51 H new ATOM 0 HB2 ALA A 77 4.714 -11.282 3.252 1.00 33.51 H new ATOM 0 HB3 ALA A 77 4.112 -10.765 1.659 1.00 33.51 H new ATOM 1238 N ILE A 78 5.586 -12.397 -0.908 1.00 75.42 N ATOM 1239 CA ILE A 78 5.225 -12.836 -2.287 1.00 65.42 C ATOM 1240 C ILE A 78 5.851 -14.222 -2.610 1.00 51.22 C ATOM 1241 O ILE A 78 6.995 -14.474 -2.220 1.00 1.41 O ATOM 1242 CB ILE A 78 5.674 -11.776 -3.391 1.00 33.13 C ATOM 1243 CG1 ILE A 78 4.919 -10.423 -3.220 1.00 23.33 C ATOM 1244 CG2 ILE A 78 5.462 -12.310 -4.831 1.00 32.14 C ATOM 1245 CD1 ILE A 78 5.299 -9.337 -4.218 1.00 12.15 C ATOM 0 H ILE A 78 6.242 -11.616 -0.888 1.00 75.42 H new ATOM 0 HA ILE A 78 4.138 -12.915 -2.316 1.00 65.42 H new ATOM 0 HB ILE A 78 6.741 -11.609 -3.241 1.00 33.13 H new ATOM 0 HG12 ILE A 78 3.848 -10.610 -3.301 1.00 23.33 H new ATOM 0 HG13 ILE A 78 5.102 -10.048 -2.213 1.00 23.33 H new ATOM 0 HG21 ILE A 78 5.781 -11.555 -5.550 1.00 32.14 H new ATOM 0 HG22 ILE A 78 6.049 -13.217 -4.973 1.00 32.14 H new ATOM 0 HG23 ILE A 78 4.406 -12.533 -4.984 1.00 32.14 H new ATOM 0 HD11 ILE A 78 4.719 -8.437 -4.015 1.00 12.15 H new ATOM 0 HD12 ILE A 78 6.362 -9.113 -4.125 1.00 12.15 H new ATOM 0 HD13 ILE A 78 5.089 -9.683 -5.230 1.00 12.15 H new ATOM 1257 N PRO A 79 5.086 -15.152 -3.292 1.00 42.41 N ATOM 1258 CA PRO A 79 5.641 -16.415 -3.876 1.00 51.04 C ATOM 1259 C PRO A 79 6.878 -16.197 -4.795 1.00 50.01 C ATOM 1260 O PRO A 79 7.058 -15.119 -5.373 1.00 74.24 O ATOM 1261 CB PRO A 79 4.439 -16.972 -4.694 1.00 40.44 C ATOM 1262 CG PRO A 79 3.230 -16.463 -3.973 1.00 14.25 C ATOM 1263 CD PRO A 79 3.604 -15.078 -3.490 1.00 42.42 C ATOM 0 HA PRO A 79 6.013 -17.084 -3.100 1.00 51.04 H new ATOM 0 HB2 PRO A 79 4.464 -16.621 -5.726 1.00 40.44 H new ATOM 0 HB3 PRO A 79 4.452 -18.061 -4.728 1.00 40.44 H new ATOM 0 HG2 PRO A 79 2.364 -16.428 -4.634 1.00 14.25 H new ATOM 0 HG3 PRO A 79 2.968 -17.113 -3.138 1.00 14.25 H new ATOM 0 HD2 PRO A 79 3.336 -14.315 -4.221 1.00 42.42 H new ATOM 0 HD3 PRO A 79 3.089 -14.826 -2.563 1.00 42.42 H new ATOM 1271 N GLU A 80 7.719 -17.240 -4.944 1.00 21.35 N ATOM 1272 CA GLU A 80 8.955 -17.150 -5.769 1.00 24.42 C ATOM 1273 C GLU A 80 8.706 -17.492 -7.262 1.00 23.33 C ATOM 1274 O GLU A 80 9.662 -17.605 -8.033 1.00 40.42 O ATOM 1275 CB GLU A 80 10.120 -18.012 -5.181 1.00 32.12 C ATOM 1276 CG GLU A 80 9.858 -19.529 -5.000 1.00 24.10 C ATOM 1277 CD GLU A 80 9.102 -19.880 -3.703 1.00 34.13 C ATOM 1278 OE1 GLU A 80 9.722 -19.866 -2.620 1.00 11.23 O ATOM 1279 OE2 GLU A 80 7.883 -20.167 -3.754 1.00 65.10 O ATOM 0 H GLU A 80 7.572 -18.151 -4.510 1.00 21.35 H new ATOM 0 HA GLU A 80 9.264 -16.105 -5.729 1.00 24.42 H new ATOM 0 HB2 GLU A 80 10.988 -17.894 -5.830 1.00 32.12 H new ATOM 0 HB3 GLU A 80 10.390 -17.598 -4.210 1.00 32.12 H new ATOM 0 HG2 GLU A 80 9.286 -19.894 -5.853 1.00 24.10 H new ATOM 0 HG3 GLU A 80 10.812 -20.056 -5.007 1.00 24.10 H new ATOM 1286 N GLU A 81 7.426 -17.629 -7.665 1.00 50.22 N ATOM 1287 CA GLU A 81 7.026 -17.803 -9.079 1.00 33.14 C ATOM 1288 C GLU A 81 6.462 -16.478 -9.631 1.00 62.34 C ATOM 1289 O GLU A 81 7.105 -15.817 -10.450 1.00 42.42 O ATOM 1290 CB GLU A 81 5.975 -18.944 -9.206 1.00 52.11 C ATOM 1291 CG GLU A 81 5.434 -19.175 -10.636 1.00 64.41 C ATOM 1292 CD GLU A 81 4.362 -20.275 -10.719 1.00 62.43 C ATOM 1293 OE1 GLU A 81 3.213 -20.021 -10.291 1.00 2.54 O ATOM 1294 OE2 GLU A 81 4.654 -21.387 -11.227 1.00 65.32 O ATOM 0 H GLU A 81 6.638 -17.622 -7.018 1.00 50.22 H new ATOM 0 HA GLU A 81 7.902 -18.080 -9.666 1.00 33.14 H new ATOM 0 HB2 GLU A 81 6.422 -19.871 -8.848 1.00 52.11 H new ATOM 0 HB3 GLU A 81 5.136 -18.720 -8.548 1.00 52.11 H new ATOM 0 HG2 GLU A 81 5.015 -18.242 -11.012 1.00 64.41 H new ATOM 0 HG3 GLU A 81 6.264 -19.438 -11.291 1.00 64.41 H new ATOM 1301 N GLU A 82 5.273 -16.085 -9.150 1.00 71.32 N ATOM 1302 CA GLU A 82 4.520 -14.933 -9.702 1.00 2.21 C ATOM 1303 C GLU A 82 4.902 -13.633 -8.950 1.00 14.02 C ATOM 1304 O GLU A 82 5.174 -13.667 -7.744 1.00 33.21 O ATOM 1305 CB GLU A 82 2.984 -15.225 -9.592 1.00 1.32 C ATOM 1306 CG GLU A 82 2.080 -14.589 -10.687 1.00 12.32 C ATOM 1307 CD GLU A 82 2.074 -13.048 -10.723 1.00 44.33 C ATOM 1308 OE1 GLU A 82 1.665 -12.428 -9.729 1.00 42.13 O ATOM 1309 OE2 GLU A 82 2.507 -12.447 -11.732 1.00 13.02 O ATOM 0 H GLU A 82 4.803 -16.549 -8.373 1.00 71.32 H new ATOM 0 HA GLU A 82 4.775 -14.792 -10.752 1.00 2.21 H new ATOM 0 HB2 GLU A 82 2.839 -16.305 -9.614 1.00 1.32 H new ATOM 0 HB3 GLU A 82 2.639 -14.877 -8.619 1.00 1.32 H new ATOM 0 HG2 GLU A 82 2.403 -14.957 -11.661 1.00 12.32 H new ATOM 0 HG3 GLU A 82 1.058 -14.937 -10.538 1.00 12.32 H new ATOM 1316 N GLY A 83 4.913 -12.500 -9.686 1.00 31.45 N ATOM 1317 CA GLY A 83 5.136 -11.173 -9.117 1.00 61.12 C ATOM 1318 C GLY A 83 6.605 -10.903 -8.830 1.00 0.44 C ATOM 1319 O GLY A 83 7.386 -10.704 -9.763 1.00 62.41 O ATOM 0 H GLY A 83 4.766 -12.491 -10.695 1.00 31.45 H new ATOM 0 HA2 GLY A 83 4.759 -10.417 -9.806 1.00 61.12 H new ATOM 0 HA3 GLY A 83 4.565 -11.076 -8.194 1.00 61.12 H new ATOM 1323 N ARG A 84 6.953 -10.916 -7.531 1.00 52.25 N ATOM 1324 CA ARG A 84 8.316 -10.697 -7.001 1.00 55.35 C ATOM 1325 C ARG A 84 8.876 -9.320 -7.444 1.00 51.54 C ATOM 1326 O ARG A 84 8.691 -8.324 -6.739 1.00 4.40 O ATOM 1327 CB ARG A 84 9.270 -11.877 -7.381 1.00 40.35 C ATOM 1328 CG ARG A 84 10.701 -11.768 -6.806 1.00 22.42 C ATOM 1329 CD ARG A 84 10.735 -11.852 -5.272 1.00 2.13 C ATOM 1330 NE ARG A 84 10.262 -13.154 -4.781 1.00 70.33 N ATOM 1331 CZ ARG A 84 9.985 -13.449 -3.506 1.00 63.34 C ATOM 1332 NH1 ARG A 84 10.131 -12.544 -2.542 1.00 22.21 N ATOM 1333 NH2 ARG A 84 9.580 -14.671 -3.197 1.00 53.00 N ATOM 0 H ARG A 84 6.270 -11.085 -6.793 1.00 52.25 H new ATOM 0 HA ARG A 84 8.256 -10.679 -5.913 1.00 55.35 H new ATOM 0 HB2 ARG A 84 8.825 -12.810 -7.035 1.00 40.35 H new ATOM 0 HB3 ARG A 84 9.334 -11.938 -8.467 1.00 40.35 H new ATOM 0 HG2 ARG A 84 11.317 -12.565 -7.223 1.00 22.42 H new ATOM 0 HG3 ARG A 84 11.144 -10.824 -7.123 1.00 22.42 H new ATOM 0 HD2 ARG A 84 11.753 -11.681 -4.922 1.00 2.13 H new ATOM 0 HD3 ARG A 84 10.116 -11.059 -4.852 1.00 2.13 H new ATOM 0 HE ARG A 84 10.134 -13.895 -5.470 1.00 70.33 H new ATOM 0 HH11 ARG A 84 10.459 -11.605 -2.769 1.00 22.21 H new ATOM 0 HH12 ARG A 84 9.914 -12.789 -1.576 1.00 22.21 H new ATOM 0 HH21 ARG A 84 9.482 -15.376 -3.928 1.00 53.00 H new ATOM 0 HH22 ARG A 84 9.366 -14.908 -2.228 1.00 53.00 H new ATOM 1347 N LYS A 85 9.490 -9.288 -8.648 1.00 15.14 N ATOM 1348 CA LYS A 85 10.144 -8.098 -9.226 1.00 1.31 C ATOM 1349 C LYS A 85 9.107 -7.028 -9.588 1.00 75.22 C ATOM 1350 O LYS A 85 9.321 -5.842 -9.330 1.00 65.55 O ATOM 1351 CB LYS A 85 10.945 -8.513 -10.488 1.00 72.33 C ATOM 1352 CG LYS A 85 11.602 -7.354 -11.271 1.00 4.20 C ATOM 1353 CD LYS A 85 12.287 -7.842 -12.569 1.00 21.01 C ATOM 1354 CE LYS A 85 13.044 -6.726 -13.300 1.00 2.21 C ATOM 1355 NZ LYS A 85 13.672 -7.225 -14.554 1.00 21.33 N ATOM 0 H LYS A 85 9.544 -10.106 -9.255 1.00 15.14 H new ATOM 0 HA LYS A 85 10.823 -7.675 -8.486 1.00 1.31 H new ATOM 0 HB2 LYS A 85 11.725 -9.213 -10.188 1.00 72.33 H new ATOM 0 HB3 LYS A 85 10.276 -9.050 -11.161 1.00 72.33 H new ATOM 0 HG2 LYS A 85 10.845 -6.610 -11.519 1.00 4.20 H new ATOM 0 HG3 LYS A 85 12.338 -6.860 -10.637 1.00 4.20 H new ATOM 0 HD2 LYS A 85 12.981 -8.647 -12.327 1.00 21.01 H new ATOM 0 HD3 LYS A 85 11.534 -8.261 -13.236 1.00 21.01 H new ATOM 0 HE2 LYS A 85 12.358 -5.912 -13.534 1.00 2.21 H new ATOM 0 HE3 LYS A 85 13.813 -6.316 -12.645 1.00 2.21 H new ATOM 0 HZ1 LYS A 85 14.176 -6.446 -15.024 1.00 21.33 H new ATOM 0 HZ2 LYS A 85 14.345 -7.985 -14.327 1.00 21.33 H new ATOM 0 HZ3 LYS A 85 12.935 -7.593 -15.189 1.00 21.33 H new ATOM 1369 N GLU A 86 7.978 -7.489 -10.163 1.00 11.42 N ATOM 1370 CA GLU A 86 6.877 -6.630 -10.630 1.00 55.51 C ATOM 1371 C GLU A 86 6.407 -5.672 -9.510 1.00 12.23 C ATOM 1372 O GLU A 86 6.360 -4.449 -9.685 1.00 33.04 O ATOM 1373 CB GLU A 86 5.699 -7.530 -11.111 1.00 20.34 C ATOM 1374 CG GLU A 86 4.534 -6.778 -11.787 1.00 73.31 C ATOM 1375 CD GLU A 86 4.923 -6.114 -13.125 1.00 44.50 C ATOM 1376 OE1 GLU A 86 4.920 -6.803 -14.167 1.00 53.12 O ATOM 1377 OE2 GLU A 86 5.234 -4.905 -13.144 1.00 30.11 O ATOM 0 H GLU A 86 7.805 -8.482 -10.317 1.00 11.42 H new ATOM 0 HA GLU A 86 7.230 -6.017 -11.459 1.00 55.51 H new ATOM 0 HB2 GLU A 86 6.089 -8.269 -11.811 1.00 20.34 H new ATOM 0 HB3 GLU A 86 5.308 -8.079 -10.254 1.00 20.34 H new ATOM 0 HG2 GLU A 86 3.715 -7.475 -11.961 1.00 73.31 H new ATOM 0 HG3 GLU A 86 4.162 -6.013 -11.106 1.00 73.31 H new ATOM 1384 N ALA A 87 6.110 -6.259 -8.343 1.00 20.14 N ATOM 1385 CA ALA A 87 5.658 -5.515 -7.160 1.00 34.33 C ATOM 1386 C ALA A 87 6.817 -4.790 -6.448 1.00 54.32 C ATOM 1387 O ALA A 87 6.597 -3.782 -5.761 1.00 63.33 O ATOM 1388 CB ALA A 87 4.922 -6.458 -6.208 1.00 24.01 C ATOM 0 H ALA A 87 6.177 -7.266 -8.193 1.00 20.14 H new ATOM 0 HA ALA A 87 4.970 -4.738 -7.492 1.00 34.33 H new ATOM 0 HB1 ALA A 87 4.588 -5.903 -5.332 1.00 24.01 H new ATOM 0 HB2 ALA A 87 4.058 -6.887 -6.716 1.00 24.01 H new ATOM 0 HB3 ALA A 87 5.594 -7.258 -5.896 1.00 24.01 H new ATOM 1394 N LYS A 88 8.047 -5.328 -6.615 1.00 62.44 N ATOM 1395 CA LYS A 88 9.274 -4.789 -5.977 1.00 24.04 C ATOM 1396 C LYS A 88 9.567 -3.358 -6.484 1.00 32.03 C ATOM 1397 O LYS A 88 10.031 -2.488 -5.736 1.00 52.23 O ATOM 1398 CB LYS A 88 10.505 -5.729 -6.252 1.00 34.35 C ATOM 1399 CG LYS A 88 11.409 -6.012 -5.030 1.00 62.14 C ATOM 1400 CD LYS A 88 12.047 -4.743 -4.417 1.00 63.25 C ATOM 1401 CE LYS A 88 12.757 -5.014 -3.085 1.00 2.31 C ATOM 1402 NZ LYS A 88 13.440 -3.800 -2.572 1.00 4.14 N ATOM 0 H LYS A 88 8.219 -6.149 -7.196 1.00 62.44 H new ATOM 0 HA LYS A 88 9.106 -4.748 -4.901 1.00 24.04 H new ATOM 0 HB2 LYS A 88 10.136 -6.679 -6.637 1.00 34.35 H new ATOM 0 HB3 LYS A 88 11.114 -5.281 -7.037 1.00 34.35 H new ATOM 0 HG2 LYS A 88 10.821 -6.518 -4.264 1.00 62.14 H new ATOM 0 HG3 LYS A 88 12.202 -6.698 -5.328 1.00 62.14 H new ATOM 0 HD2 LYS A 88 12.762 -4.324 -5.125 1.00 63.25 H new ATOM 0 HD3 LYS A 88 11.273 -3.991 -4.264 1.00 63.25 H new ATOM 0 HE2 LYS A 88 12.031 -5.362 -2.350 1.00 2.31 H new ATOM 0 HE3 LYS A 88 13.486 -5.814 -3.217 1.00 2.31 H new ATOM 0 HZ1 LYS A 88 13.909 -4.020 -1.670 1.00 4.14 H new ATOM 0 HZ2 LYS A 88 14.150 -3.483 -3.263 1.00 4.14 H new ATOM 0 HZ3 LYS A 88 12.740 -3.045 -2.423 1.00 4.14 H new ATOM 1416 N GLU A 89 9.298 -3.150 -7.779 1.00 22.41 N ATOM 1417 CA GLU A 89 9.488 -1.857 -8.463 1.00 62.01 C ATOM 1418 C GLU A 89 8.494 -0.797 -7.943 1.00 3.23 C ATOM 1419 O GLU A 89 8.827 0.385 -7.869 1.00 45.01 O ATOM 1420 CB GLU A 89 9.360 -2.072 -9.988 1.00 63.15 C ATOM 1421 CG GLU A 89 10.421 -3.043 -10.557 1.00 44.51 C ATOM 1422 CD GLU A 89 10.130 -3.470 -12.001 1.00 72.50 C ATOM 1423 OE1 GLU A 89 10.542 -2.759 -12.945 1.00 33.52 O ATOM 1424 OE2 GLU A 89 9.473 -4.515 -12.200 1.00 11.25 O ATOM 0 H GLU A 89 8.938 -3.881 -8.392 1.00 22.41 H new ATOM 0 HA GLU A 89 10.485 -1.474 -8.246 1.00 62.01 H new ATOM 0 HB2 GLU A 89 8.366 -2.459 -10.212 1.00 63.15 H new ATOM 0 HB3 GLU A 89 9.449 -1.110 -10.493 1.00 63.15 H new ATOM 0 HG2 GLU A 89 11.401 -2.567 -10.515 1.00 44.51 H new ATOM 0 HG3 GLU A 89 10.470 -3.930 -9.925 1.00 44.51 H new ATOM 1431 N MET A 90 7.284 -1.248 -7.560 1.00 1.40 N ATOM 1432 CA MET A 90 6.248 -0.373 -6.966 1.00 4.55 C ATOM 1433 C MET A 90 6.666 0.079 -5.557 1.00 21.44 C ATOM 1434 O MET A 90 6.366 1.203 -5.137 1.00 55.32 O ATOM 1435 CB MET A 90 4.888 -1.101 -6.881 1.00 13.43 C ATOM 1436 CG MET A 90 4.354 -1.648 -8.209 1.00 64.05 C ATOM 1437 SD MET A 90 2.641 -2.212 -8.088 1.00 43.04 S ATOM 1438 CE MET A 90 2.729 -3.370 -6.722 1.00 53.53 C ATOM 0 H MET A 90 6.996 -2.222 -7.652 1.00 1.40 H new ATOM 0 HA MET A 90 6.144 0.498 -7.613 1.00 4.55 H new ATOM 0 HB2 MET A 90 4.981 -1.928 -6.177 1.00 13.43 H new ATOM 0 HB3 MET A 90 4.151 -0.412 -6.468 1.00 13.43 H new ATOM 0 HG2 MET A 90 4.425 -0.873 -8.972 1.00 64.05 H new ATOM 0 HG3 MET A 90 4.983 -2.476 -8.536 1.00 64.05 H new ATOM 0 HE1 MET A 90 2.226 -4.297 -6.998 1.00 53.53 H new ATOM 0 HE2 MET A 90 3.773 -3.579 -6.489 1.00 53.53 H new ATOM 0 HE3 MET A 90 2.242 -2.939 -5.848 1.00 53.53 H new ATOM 1448 N ALA A 91 7.353 -0.834 -4.840 1.00 3.50 N ATOM 1449 CA ALA A 91 7.906 -0.573 -3.502 1.00 44.43 C ATOM 1450 C ALA A 91 8.905 0.588 -3.536 1.00 34.41 C ATOM 1451 O ALA A 91 8.914 1.426 -2.627 1.00 72.03 O ATOM 1452 CB ALA A 91 8.562 -1.842 -2.952 1.00 11.44 C ATOM 0 H ALA A 91 7.539 -1.778 -5.178 1.00 3.50 H new ATOM 0 HA ALA A 91 7.090 -0.285 -2.839 1.00 44.43 H new ATOM 0 HB1 ALA A 91 8.969 -1.641 -1.961 1.00 11.44 H new ATOM 0 HB2 ALA A 91 7.818 -2.636 -2.884 1.00 11.44 H new ATOM 0 HB3 ALA A 91 9.366 -2.154 -3.618 1.00 11.44 H new ATOM 1458 N LYS A 92 9.713 0.637 -4.628 1.00 3.32 N ATOM 1459 CA LYS A 92 10.692 1.715 -4.865 1.00 74.02 C ATOM 1460 C LYS A 92 10.001 3.084 -4.864 1.00 53.31 C ATOM 1461 O LYS A 92 10.467 4.005 -4.193 1.00 45.52 O ATOM 1462 CB LYS A 92 11.435 1.525 -6.216 1.00 40.34 C ATOM 1463 CG LYS A 92 12.202 0.198 -6.353 1.00 2.53 C ATOM 1464 CD LYS A 92 13.004 0.126 -7.669 1.00 11.55 C ATOM 1465 CE LYS A 92 13.784 -1.185 -7.830 1.00 3.53 C ATOM 1466 NZ LYS A 92 14.731 -1.119 -8.978 1.00 42.12 N ATOM 0 H LYS A 92 9.699 -0.070 -5.363 1.00 3.32 H new ATOM 0 HA LYS A 92 11.420 1.670 -4.055 1.00 74.02 H new ATOM 0 HB2 LYS A 92 10.709 1.593 -7.026 1.00 40.34 H new ATOM 0 HB3 LYS A 92 12.137 2.349 -6.347 1.00 40.34 H new ATOM 0 HG2 LYS A 92 12.881 0.083 -5.508 1.00 2.53 H new ATOM 0 HG3 LYS A 92 11.498 -0.633 -6.312 1.00 2.53 H new ATOM 0 HD2 LYS A 92 12.320 0.240 -8.510 1.00 11.55 H new ATOM 0 HD3 LYS A 92 13.701 0.963 -7.709 1.00 11.55 H new ATOM 0 HE2 LYS A 92 14.335 -1.396 -6.914 1.00 3.53 H new ATOM 0 HE3 LYS A 92 13.086 -2.009 -7.979 1.00 3.53 H new ATOM 0 HZ1 LYS A 92 15.242 -2.021 -9.059 1.00 42.12 H new ATOM 0 HZ2 LYS A 92 14.201 -0.941 -9.855 1.00 42.12 H new ATOM 0 HZ3 LYS A 92 15.412 -0.348 -8.823 1.00 42.12 H new ATOM 1480 N LYS A 93 8.859 3.167 -5.590 1.00 23.40 N ATOM 1481 CA LYS A 93 8.079 4.414 -5.741 1.00 31.43 C ATOM 1482 C LYS A 93 7.672 4.988 -4.373 1.00 43.03 C ATOM 1483 O LYS A 93 7.920 6.160 -4.097 1.00 22.14 O ATOM 1484 CB LYS A 93 6.803 4.153 -6.589 1.00 31.51 C ATOM 1485 CG LYS A 93 7.003 4.095 -8.118 1.00 11.12 C ATOM 1486 CD LYS A 93 7.317 5.484 -8.717 1.00 64.20 C ATOM 1487 CE LYS A 93 7.457 5.466 -10.247 1.00 34.53 C ATOM 1488 NZ LYS A 93 7.741 6.829 -10.775 1.00 54.42 N ATOM 0 H LYS A 93 8.456 2.372 -6.085 1.00 23.40 H new ATOM 0 HA LYS A 93 8.714 5.140 -6.248 1.00 31.43 H new ATOM 0 HB2 LYS A 93 6.363 3.210 -6.265 1.00 31.51 H new ATOM 0 HB3 LYS A 93 6.078 4.936 -6.367 1.00 31.51 H new ATOM 0 HG2 LYS A 93 7.817 3.408 -8.351 1.00 11.12 H new ATOM 0 HG3 LYS A 93 6.104 3.694 -8.586 1.00 11.12 H new ATOM 0 HD2 LYS A 93 6.525 6.180 -8.439 1.00 64.20 H new ATOM 0 HD3 LYS A 93 8.241 5.861 -8.279 1.00 64.20 H new ATOM 0 HE2 LYS A 93 8.260 4.787 -10.534 1.00 34.53 H new ATOM 0 HE3 LYS A 93 6.540 5.083 -10.695 1.00 34.53 H new ATOM 0 HZ1 LYS A 93 7.831 6.788 -11.810 1.00 54.42 H new ATOM 0 HZ2 LYS A 93 6.962 7.469 -10.520 1.00 54.42 H new ATOM 0 HZ3 LYS A 93 8.629 7.182 -10.364 1.00 54.42 H new ATOM 1502 N ALA A 94 7.071 4.132 -3.532 1.00 63.23 N ATOM 1503 CA ALA A 94 6.542 4.522 -2.212 1.00 4.34 C ATOM 1504 C ALA A 94 7.640 5.052 -1.266 1.00 50.22 C ATOM 1505 O ALA A 94 7.403 5.988 -0.486 1.00 60.31 O ATOM 1506 CB ALA A 94 5.799 3.336 -1.592 1.00 2.03 C ATOM 0 H ALA A 94 6.937 3.144 -3.748 1.00 63.23 H new ATOM 0 HA ALA A 94 5.847 5.349 -2.358 1.00 4.34 H new ATOM 0 HB1 ALA A 94 5.407 3.622 -0.616 1.00 2.03 H new ATOM 0 HB2 ALA A 94 4.975 3.043 -2.242 1.00 2.03 H new ATOM 0 HB3 ALA A 94 6.485 2.497 -1.476 1.00 2.03 H new ATOM 1512 N GLU A 95 8.841 4.451 -1.365 1.00 72.32 N ATOM 1513 CA GLU A 95 10.028 4.858 -0.584 1.00 50.33 C ATOM 1514 C GLU A 95 10.598 6.189 -1.114 1.00 64.54 C ATOM 1515 O GLU A 95 11.047 7.031 -0.332 1.00 44.44 O ATOM 1516 CB GLU A 95 11.098 3.740 -0.642 1.00 72.33 C ATOM 1517 CG GLU A 95 10.621 2.384 -0.078 1.00 52.45 C ATOM 1518 CD GLU A 95 11.649 1.257 -0.281 1.00 63.12 C ATOM 1519 OE1 GLU A 95 11.664 0.634 -1.368 1.00 4.13 O ATOM 1520 OE2 GLU A 95 12.463 0.999 0.640 1.00 53.30 O ATOM 0 H GLU A 95 9.017 3.666 -1.992 1.00 72.32 H new ATOM 0 HA GLU A 95 9.734 5.011 0.454 1.00 50.33 H new ATOM 0 HB2 GLU A 95 11.409 3.602 -1.678 1.00 72.33 H new ATOM 0 HB3 GLU A 95 11.978 4.064 -0.086 1.00 72.33 H new ATOM 0 HG2 GLU A 95 10.413 2.492 0.986 1.00 52.45 H new ATOM 0 HG3 GLU A 95 9.684 2.105 -0.559 1.00 52.45 H new ATOM 1527 N GLU A 96 10.551 6.371 -2.450 1.00 11.41 N ATOM 1528 CA GLU A 96 11.025 7.601 -3.118 1.00 72.42 C ATOM 1529 C GLU A 96 10.106 8.788 -2.802 1.00 14.25 C ATOM 1530 O GLU A 96 10.572 9.927 -2.698 1.00 25.14 O ATOM 1531 CB GLU A 96 11.129 7.401 -4.658 1.00 21.40 C ATOM 1532 CG GLU A 96 12.234 6.424 -5.108 1.00 13.34 C ATOM 1533 CD GLU A 96 13.628 6.763 -4.543 1.00 54.23 C ATOM 1534 OE1 GLU A 96 14.177 7.831 -4.894 1.00 42.53 O ATOM 1535 OE2 GLU A 96 14.178 5.959 -3.756 1.00 45.25 O ATOM 0 H GLU A 96 10.184 5.671 -3.095 1.00 11.41 H new ATOM 0 HA GLU A 96 12.020 7.819 -2.731 1.00 72.42 H new ATOM 0 HB2 GLU A 96 10.170 7.039 -5.029 1.00 21.40 H new ATOM 0 HB3 GLU A 96 11.307 8.370 -5.125 1.00 21.40 H new ATOM 0 HG2 GLU A 96 11.962 5.415 -4.799 1.00 13.34 H new ATOM 0 HG3 GLU A 96 12.284 6.422 -6.197 1.00 13.34 H new ATOM 1542 N TRP A 97 8.802 8.502 -2.654 1.00 21.32 N ATOM 1543 CA TRP A 97 7.797 9.504 -2.287 1.00 21.53 C ATOM 1544 C TRP A 97 7.968 9.922 -0.823 1.00 34.12 C ATOM 1545 O TRP A 97 7.810 11.092 -0.489 1.00 3.05 O ATOM 1546 CB TRP A 97 6.369 8.957 -2.531 1.00 22.01 C ATOM 1547 CG TRP A 97 6.034 8.708 -3.986 1.00 63.04 C ATOM 1548 CD1 TRP A 97 6.541 9.361 -5.083 1.00 52.55 C ATOM 1549 CD2 TRP A 97 5.103 7.744 -4.497 1.00 4.44 C ATOM 1550 NE1 TRP A 97 5.994 8.849 -6.230 1.00 53.45 N ATOM 1551 CE2 TRP A 97 5.112 7.858 -5.899 1.00 12.13 C ATOM 1552 CE3 TRP A 97 4.278 6.782 -3.904 1.00 22.44 C ATOM 1553 CZ2 TRP A 97 4.330 7.051 -6.715 1.00 25.33 C ATOM 1554 CZ3 TRP A 97 3.497 5.989 -4.717 1.00 33.42 C ATOM 1555 CH2 TRP A 97 3.532 6.130 -6.108 1.00 52.02 C ATOM 0 H TRP A 97 8.418 7.566 -2.787 1.00 21.32 H new ATOM 0 HA TRP A 97 7.941 10.382 -2.916 1.00 21.53 H new ATOM 0 HB2 TRP A 97 6.251 8.024 -1.979 1.00 22.01 H new ATOM 0 HB3 TRP A 97 5.648 9.664 -2.121 1.00 22.01 H new ATOM 0 HD1 TRP A 97 7.265 10.161 -5.047 1.00 52.55 H new ATOM 0 HE1 TRP A 97 6.210 9.157 -7.178 1.00 53.45 H new ATOM 0 HE3 TRP A 97 4.254 6.663 -2.831 1.00 22.44 H new ATOM 0 HZ2 TRP A 97 4.354 7.150 -7.790 1.00 25.33 H new ATOM 0 HZ3 TRP A 97 2.849 5.248 -4.273 1.00 33.42 H new ATOM 0 HH2 TRP A 97 2.909 5.491 -6.717 1.00 52.02 H new ATOM 1566 N LEU A 98 8.298 8.937 0.036 1.00 33.44 N ATOM 1567 CA LEU A 98 8.547 9.165 1.472 1.00 55.10 C ATOM 1568 C LEU A 98 9.787 10.066 1.679 1.00 12.05 C ATOM 1569 O LEU A 98 9.781 10.960 2.534 1.00 61.12 O ATOM 1570 CB LEU A 98 8.708 7.806 2.204 1.00 14.14 C ATOM 1571 CG LEU A 98 8.932 7.874 3.751 1.00 51.44 C ATOM 1572 CD1 LEU A 98 7.792 8.648 4.454 1.00 13.45 C ATOM 1573 CD2 LEU A 98 9.110 6.457 4.348 1.00 32.03 C ATOM 0 H LEU A 98 8.399 7.962 -0.247 1.00 33.44 H new ATOM 0 HA LEU A 98 7.690 9.686 1.900 1.00 55.10 H new ATOM 0 HB2 LEU A 98 7.817 7.207 2.013 1.00 14.14 H new ATOM 0 HB3 LEU A 98 9.550 7.276 1.759 1.00 14.14 H new ATOM 0 HG LEU A 98 9.854 8.427 3.930 1.00 51.44 H new ATOM 0 HD11 LEU A 98 7.979 8.676 5.527 1.00 13.45 H new ATOM 0 HD12 LEU A 98 7.750 9.666 4.066 1.00 13.45 H new ATOM 0 HD13 LEU A 98 6.842 8.148 4.264 1.00 13.45 H new ATOM 0 HD21 LEU A 98 9.264 6.532 5.424 1.00 32.03 H new ATOM 0 HD22 LEU A 98 8.217 5.864 4.150 1.00 32.03 H new ATOM 0 HD23 LEU A 98 9.974 5.975 3.891 1.00 32.03 H new ATOM 1585 N GLN A 99 10.831 9.831 0.859 1.00 74.54 N ATOM 1586 CA GLN A 99 12.034 10.687 0.817 1.00 32.41 C ATOM 1587 C GLN A 99 11.676 12.097 0.312 1.00 62.22 C ATOM 1588 O GLN A 99 12.111 13.100 0.885 1.00 11.21 O ATOM 1589 CB GLN A 99 13.123 10.056 -0.098 1.00 41.21 C ATOM 1590 CG GLN A 99 13.806 8.793 0.470 1.00 45.01 C ATOM 1591 CD GLN A 99 14.638 9.074 1.727 1.00 72.23 C ATOM 1592 OE1 GLN A 99 15.828 9.385 1.643 1.00 73.22 O ATOM 1593 NE2 GLN A 99 14.027 8.953 2.893 1.00 70.15 N ATOM 0 H GLN A 99 10.864 9.045 0.209 1.00 74.54 H new ATOM 0 HA GLN A 99 12.430 10.766 1.829 1.00 32.41 H new ATOM 0 HB2 GLN A 99 12.669 9.804 -1.056 1.00 41.21 H new ATOM 0 HB3 GLN A 99 13.889 10.806 -0.295 1.00 41.21 H new ATOM 0 HG2 GLN A 99 13.044 8.049 0.704 1.00 45.01 H new ATOM 0 HG3 GLN A 99 14.450 8.360 -0.295 1.00 45.01 H new ATOM 0 HE21 GLN A 99 13.041 8.694 2.928 1.00 70.15 H new ATOM 0 HE22 GLN A 99 14.542 9.119 3.758 1.00 70.15 H new ATOM 1602 N ALA A 100 10.865 12.144 -0.762 1.00 13.02 N ATOM 1603 CA ALA A 100 10.458 13.397 -1.428 1.00 33.20 C ATOM 1604 C ALA A 100 9.635 14.301 -0.491 1.00 22.31 C ATOM 1605 O ALA A 100 9.724 15.528 -0.567 1.00 61.22 O ATOM 1606 CB ALA A 100 9.661 13.071 -2.707 1.00 43.43 C ATOM 0 H ALA A 100 10.471 11.309 -1.195 1.00 13.02 H new ATOM 0 HA ALA A 100 11.360 13.947 -1.695 1.00 33.20 H new ATOM 0 HB1 ALA A 100 9.362 13.998 -3.196 1.00 43.43 H new ATOM 0 HB2 ALA A 100 10.284 12.488 -3.385 1.00 43.43 H new ATOM 0 HB3 ALA A 100 8.773 12.496 -2.445 1.00 43.43 H new ATOM 1612 N GLU A 101 8.828 13.677 0.381 1.00 61.40 N ATOM 1613 CA GLU A 101 7.939 14.393 1.310 1.00 34.31 C ATOM 1614 C GLU A 101 8.708 14.956 2.524 1.00 70.11 C ATOM 1615 O GLU A 101 8.573 16.140 2.854 1.00 4.02 O ATOM 1616 CB GLU A 101 6.796 13.451 1.782 1.00 51.35 C ATOM 1617 CG GLU A 101 5.711 13.181 0.723 1.00 4.42 C ATOM 1618 CD GLU A 101 4.981 14.453 0.269 1.00 12.34 C ATOM 1619 OE1 GLU A 101 4.483 15.193 1.141 1.00 44.31 O ATOM 1620 OE2 GLU A 101 4.918 14.739 -0.946 1.00 64.11 O ATOM 0 H GLU A 101 8.773 12.662 0.462 1.00 61.40 H new ATOM 0 HA GLU A 101 7.511 15.241 0.775 1.00 34.31 H new ATOM 0 HB2 GLU A 101 7.230 12.500 2.089 1.00 51.35 H new ATOM 0 HB3 GLU A 101 6.325 13.886 2.663 1.00 51.35 H new ATOM 0 HG2 GLU A 101 6.169 12.703 -0.143 1.00 4.42 H new ATOM 0 HG3 GLU A 101 4.984 12.477 1.128 1.00 4.42 H new ATOM 1627 N GLN A 102 9.512 14.103 3.175 1.00 31.24 N ATOM 1628 CA GLN A 102 10.185 14.435 4.452 1.00 24.24 C ATOM 1629 C GLN A 102 11.505 15.207 4.248 1.00 70.23 C ATOM 1630 O GLN A 102 11.971 15.385 3.114 1.00 21.55 O ATOM 1631 CB GLN A 102 10.425 13.136 5.264 1.00 44.14 C ATOM 1632 CG GLN A 102 9.129 12.427 5.702 1.00 53.34 C ATOM 1633 CD GLN A 102 9.375 11.167 6.529 1.00 74.24 C ATOM 1634 OE1 GLN A 102 10.373 10.472 6.352 1.00 21.43 O ATOM 1635 NE2 GLN A 102 8.464 10.856 7.433 1.00 71.55 N ATOM 0 H GLN A 102 9.718 13.163 2.837 1.00 31.24 H new ATOM 0 HA GLN A 102 9.526 15.100 5.010 1.00 24.24 H new ATOM 0 HB2 GLN A 102 11.019 12.448 4.663 1.00 44.14 H new ATOM 0 HB3 GLN A 102 11.014 13.376 6.149 1.00 44.14 H new ATOM 0 HG2 GLN A 102 8.523 13.121 6.284 1.00 53.34 H new ATOM 0 HG3 GLN A 102 8.551 12.164 4.816 1.00 53.34 H new ATOM 0 HE21 GLN A 102 7.645 11.452 7.558 1.00 71.55 H new ATOM 0 HE22 GLN A 102 8.579 10.020 8.006 1.00 71.55 H new ATOM 1644 N ASN A 103 12.088 15.665 5.381 1.00 70.25 N ATOM 1645 CA ASN A 103 13.345 16.444 5.402 1.00 52.50 C ATOM 1646 C ASN A 103 14.546 15.517 5.145 1.00 23.24 C ATOM 1647 O ASN A 103 14.646 14.447 5.755 1.00 23.35 O ATOM 1648 CB ASN A 103 13.535 17.174 6.763 1.00 24.24 C ATOM 1649 CG ASN A 103 12.402 18.145 7.090 1.00 63.23 C ATOM 1650 OD1 ASN A 103 12.447 19.320 6.726 1.00 65.20 O ATOM 1651 ND2 ASN A 103 11.380 17.667 7.781 1.00 73.05 N ATOM 0 H ASN A 103 11.697 15.503 6.309 1.00 70.25 H new ATOM 0 HA ASN A 103 13.285 17.194 4.614 1.00 52.50 H new ATOM 0 HB2 ASN A 103 13.610 16.432 7.558 1.00 24.24 H new ATOM 0 HB3 ASN A 103 14.479 17.719 6.746 1.00 24.24 H new ATOM 0 HD21 ASN A 103 10.600 18.277 8.026 1.00 73.05 H new ATOM 0 HD22 ASN A 103 11.372 16.688 8.068 1.00 73.05 H new ATOM 1658 N ASN A 104 15.446 15.944 4.242 1.00 54.44 N ATOM 1659 CA ASN A 104 16.653 15.178 3.851 1.00 64.01 C ATOM 1660 C ASN A 104 17.911 16.003 4.204 1.00 12.12 C ATOM 1661 O ASN A 104 18.650 15.621 5.138 1.00 3.23 O ATOM 1662 CB ASN A 104 16.620 14.842 2.330 1.00 53.12 C ATOM 1663 CG ASN A 104 15.321 14.156 1.908 1.00 43.34 C ATOM 1664 OD1 ASN A 104 15.199 12.930 1.933 1.00 62.34 O ATOM 1665 ND2 ASN A 104 14.338 14.948 1.530 1.00 43.52 N ATOM 1666 OXT ASN A 104 18.126 17.067 3.577 1.00 37.68 O ATOM 0 H ASN A 104 15.360 16.837 3.757 1.00 54.44 H new ATOM 0 HA ASN A 104 16.677 14.235 4.397 1.00 64.01 H new ATOM 0 HB2 ASN A 104 16.745 15.760 1.756 1.00 53.12 H new ATOM 0 HB3 ASN A 104 17.464 14.196 2.086 1.00 53.12 H new ATOM 0 HD21 ASN A 104 13.443 14.550 1.247 1.00 43.52 H new ATOM 0 HD22 ASN A 104 14.472 15.959 1.521 1.00 43.52 H new TER 1673 ASN A 104