USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 736 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 89 HIS : no HE2:sc= -2.81! C(o=-1.9!,f=-17!) USER MOD Set 1.2: A 111 SER OG : rot -171:sc= 0.919 USER MOD Set 2.1: A 76 SER OG : rot 163:sc= 0.284 USER MOD Set 2.2: A 83 GLN : amide:sc= 0.388 X(o=0.67,f=1.1) USER MOD Set 3.1: A 54 ASN : amide:sc= -0.605 X(o=0.61,f=0.49) USER MOD Set 3.2: A 64 SER OG : rot 85:sc= 1.21 USER MOD Set 4.1: A 29 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 33 GLN : amide:sc= -2.72 K(o=-2.2,f=-3) USER MOD Set 4.3: A 40 SER OG : rot 180:sc= 0.516 USER MOD Set 5.1: A 16 GLN : amide:sc= -1.51! K(o=-1.9!,f=-1.2) USER MOD Set 5.2: A 19 HIS : no HD1:sc= -0.391 K(o=-1.9,f=-1.2) USER MOD Single : A 7 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.4!) USER MOD Single : A 9 ASN : amide:sc= -0.0151 K(o=-0.015,f=-0.95) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 79:sc= 0.628 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.587 K(o=-0.59,f=-0.022) USER MOD Single : A 28 SER OG : rot 84:sc= 1.26 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0839 X(o=-0.084,f=-0.038) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.776 USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00518) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -146:sc= -2.94! (180deg=-5.86!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= -2.21 (180deg=-2.38!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= -0.171 (180deg=-0.705) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 73 SER OG : rot -36:sc= 0.275 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -66:sc= -0.526 USER MOD Single : A 80 SER OG : rot -49:sc= 0.104 USER MOD Single : A 82 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-4.2) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00723 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 78:sc= -0.411 USER MOD Single : A 94 THR OG1 : rot -170:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00279 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.53 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.537 USER MOD ----------------------------------------------------------------- ATOM 21 N GLN A 7 -17.910 -5.580 -4.364 1.00 0.86 N ATOM 22 CA GLN A 7 -16.605 -5.026 -4.035 1.00 0.74 C ATOM 23 C GLN A 7 -15.516 -6.088 -4.039 1.00 0.69 C ATOM 24 O GLN A 7 -14.343 -5.768 -4.171 1.00 0.64 O ATOM 25 CB GLN A 7 -16.624 -4.336 -2.682 1.00 0.85 C ATOM 26 CG GLN A 7 -15.345 -3.572 -2.380 1.00 0.75 C ATOM 27 CD GLN A 7 -15.273 -2.271 -3.149 1.00 1.15 C ATOM 28 OE1 GLN A 7 -16.299 -1.662 -3.459 1.00 1.96 O ATOM 29 NE2 GLN A 7 -14.067 -1.834 -3.464 1.00 1.70 N ATOM 0 HA GLN A 7 -16.379 -4.294 -4.811 1.00 0.74 H new ATOM 0 HB2 GLN A 7 -17.468 -3.647 -2.645 1.00 0.85 H new ATOM 0 HB3 GLN A 7 -16.786 -5.082 -1.904 1.00 0.85 H new ATOM 0 HG2 GLN A 7 -15.288 -3.366 -1.311 1.00 0.75 H new ATOM 0 HG3 GLN A 7 -14.484 -4.191 -2.631 1.00 0.75 H new ATOM 0 HE21 GLN A 7 -13.243 -2.368 -3.188 1.00 1.70 H new ATOM 0 HE22 GLN A 7 -13.960 -0.962 -3.983 1.00 1.70 H new ATOM 38 N ASP A 8 -15.892 -7.346 -3.897 1.00 0.78 N ATOM 39 CA ASP A 8 -14.910 -8.422 -3.907 1.00 0.84 C ATOM 40 C ASP A 8 -14.220 -8.495 -5.267 1.00 0.77 C ATOM 41 O ASP A 8 -13.048 -8.862 -5.369 1.00 0.84 O ATOM 42 CB ASP A 8 -15.576 -9.747 -3.546 1.00 1.01 C ATOM 43 CG ASP A 8 -14.615 -10.922 -3.571 1.00 1.83 C ATOM 44 OD1 ASP A 8 -14.551 -11.620 -4.602 1.00 1.78 O ATOM 45 OD2 ASP A 8 -13.921 -11.155 -2.559 1.00 2.81 O ATOM 0 H ASP A 8 -16.858 -7.649 -3.775 1.00 0.78 H new ATOM 0 HA ASP A 8 -14.147 -8.216 -3.157 1.00 0.84 H new ATOM 0 HB2 ASP A 8 -16.017 -9.667 -2.552 1.00 1.01 H new ATOM 0 HB3 ASP A 8 -16.393 -9.938 -4.242 1.00 1.01 H new ATOM 50 N ASN A 9 -14.952 -8.119 -6.307 1.00 0.72 N ATOM 51 CA ASN A 9 -14.378 -7.969 -7.638 1.00 0.70 C ATOM 52 C ASN A 9 -13.765 -6.589 -7.785 1.00 0.55 C ATOM 53 O ASN A 9 -12.715 -6.415 -8.403 1.00 0.53 O ATOM 54 CB ASN A 9 -15.446 -8.161 -8.714 1.00 0.80 C ATOM 55 CG ASN A 9 -15.913 -9.598 -8.832 1.00 1.28 C ATOM 56 OD1 ASN A 9 -15.150 -10.535 -8.594 1.00 2.04 O ATOM 57 ND2 ASN A 9 -17.171 -9.788 -9.193 1.00 1.78 N ATOM 0 H ASN A 9 -15.949 -7.911 -6.254 1.00 0.72 H new ATOM 0 HA ASN A 9 -13.608 -8.730 -7.764 1.00 0.70 H new ATOM 0 HB2 ASN A 9 -16.301 -7.524 -8.488 1.00 0.80 H new ATOM 0 HB3 ASN A 9 -15.049 -7.833 -9.675 1.00 0.80 H new ATOM 0 HD21 ASN A 9 -17.538 -10.735 -9.282 1.00 1.78 H new ATOM 0 HD22 ASN A 9 -17.774 -8.987 -9.382 1.00 1.78 H new ATOM 64 N ALA A 10 -14.426 -5.609 -7.186 1.00 0.51 N ATOM 65 CA ALA A 10 -14.006 -4.221 -7.297 1.00 0.45 C ATOM 66 C ALA A 10 -12.657 -4.005 -6.661 1.00 0.38 C ATOM 67 O ALA A 10 -11.808 -3.350 -7.240 1.00 0.35 O ATOM 68 CB ALA A 10 -15.010 -3.292 -6.651 1.00 0.49 C ATOM 0 H ALA A 10 -15.259 -5.751 -6.616 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.940 -3.995 -8.361 1.00 0.45 H new ATOM 0 HB1 ALA A 10 -14.669 -2.262 -6.750 1.00 0.49 H new ATOM 0 HB2 ALA A 10 -15.977 -3.403 -7.142 1.00 0.49 H new ATOM 0 HB3 ALA A 10 -15.109 -3.541 -5.595 1.00 0.49 H new ATOM 74 N ARG A 11 -12.470 -4.561 -5.468 1.00 0.41 N ATOM 75 CA ARG A 11 -11.235 -4.382 -4.721 1.00 0.44 C ATOM 76 C ARG A 11 -10.048 -4.725 -5.587 1.00 0.35 C ATOM 77 O ARG A 11 -9.034 -4.038 -5.579 1.00 0.41 O ATOM 78 CB ARG A 11 -11.228 -5.238 -3.452 1.00 0.54 C ATOM 79 CG ARG A 11 -11.308 -6.748 -3.695 1.00 1.44 C ATOM 80 CD ARG A 11 -9.933 -7.403 -3.850 1.00 1.95 C ATOM 81 NE ARG A 11 -10.019 -8.861 -3.946 1.00 2.91 N ATOM 82 CZ ARG A 11 -8.961 -9.677 -3.977 1.00 3.53 C ATOM 83 NH1 ARG A 11 -7.727 -9.180 -3.932 1.00 3.46 N ATOM 84 NH2 ARG A 11 -9.138 -10.992 -4.035 1.00 4.41 N ATOM 0 H ARG A 11 -13.164 -5.142 -4.998 1.00 0.41 H new ATOM 0 HA ARG A 11 -11.168 -3.335 -4.424 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -10.319 -5.022 -2.890 1.00 0.54 H new ATOM 0 HB3 ARG A 11 -12.068 -4.940 -2.825 1.00 0.54 H new ATOM 0 HG2 ARG A 11 -11.836 -7.217 -2.864 1.00 1.44 H new ATOM 0 HG3 ARG A 11 -11.897 -6.935 -4.593 1.00 1.44 H new ATOM 0 HD2 ARG A 11 -9.445 -7.011 -4.742 1.00 1.95 H new ATOM 0 HD3 ARG A 11 -9.307 -7.134 -2.999 1.00 1.95 H new ATOM 0 HE ARG A 11 -10.947 -9.282 -3.992 1.00 2.91 H new ATOM 0 HH11 ARG A 11 -7.585 -8.172 -3.874 1.00 3.46 H new ATOM 0 HH12 ARG A 11 -6.923 -9.808 -3.956 1.00 3.46 H new ATOM 0 HH21 ARG A 11 -10.081 -11.379 -4.056 1.00 4.41 H new ATOM 0 HH22 ARG A 11 -8.331 -11.615 -4.059 1.00 4.41 H new ATOM 98 N LYS A 12 -10.207 -5.775 -6.360 1.00 0.28 N ATOM 99 CA LYS A 12 -9.161 -6.238 -7.223 1.00 0.27 C ATOM 100 C LYS A 12 -8.777 -5.151 -8.195 1.00 0.23 C ATOM 101 O LYS A 12 -7.613 -4.921 -8.424 1.00 0.37 O ATOM 102 CB LYS A 12 -9.610 -7.469 -7.992 1.00 0.37 C ATOM 103 CG LYS A 12 -8.515 -8.078 -8.828 1.00 0.49 C ATOM 104 CD LYS A 12 -7.710 -9.081 -8.034 1.00 0.94 C ATOM 105 CE LYS A 12 -6.488 -9.502 -8.810 1.00 0.88 C ATOM 106 NZ LYS A 12 -5.798 -10.664 -8.193 1.00 1.56 N ATOM 0 H LYS A 12 -11.064 -6.326 -6.403 1.00 0.28 H new ATOM 0 HA LYS A 12 -8.299 -6.499 -6.610 1.00 0.27 H new ATOM 0 HB2 LYS A 12 -9.978 -8.215 -7.288 1.00 0.37 H new ATOM 0 HB3 LYS A 12 -10.446 -7.201 -8.639 1.00 0.37 H new ATOM 0 HG2 LYS A 12 -8.950 -8.566 -9.700 1.00 0.49 H new ATOM 0 HG3 LYS A 12 -7.857 -7.292 -9.198 1.00 0.49 H new ATOM 0 HD2 LYS A 12 -7.412 -8.645 -7.081 1.00 0.94 H new ATOM 0 HD3 LYS A 12 -8.324 -9.953 -7.808 1.00 0.94 H new ATOM 0 HE2 LYS A 12 -6.778 -9.755 -9.830 1.00 0.88 H new ATOM 0 HE3 LYS A 12 -5.795 -8.663 -8.874 1.00 0.88 H new ATOM 0 HZ1 LYS A 12 -4.965 -10.916 -8.762 1.00 1.56 H new ATOM 0 HZ2 LYS A 12 -5.496 -10.417 -7.229 1.00 1.56 H new ATOM 0 HZ3 LYS A 12 -6.449 -11.474 -8.155 1.00 1.56 H new ATOM 120 N SER A 13 -9.767 -4.470 -8.734 1.00 0.21 N ATOM 121 CA SER A 13 -9.529 -3.466 -9.750 1.00 0.24 C ATOM 122 C SER A 13 -9.229 -2.094 -9.135 1.00 0.24 C ATOM 123 O SER A 13 -8.264 -1.425 -9.516 1.00 0.28 O ATOM 124 CB SER A 13 -10.751 -3.405 -10.663 1.00 0.30 C ATOM 125 OG SER A 13 -10.929 -4.638 -11.345 1.00 0.90 O ATOM 0 H SER A 13 -10.748 -4.594 -8.484 1.00 0.21 H new ATOM 0 HA SER A 13 -8.648 -3.743 -10.328 1.00 0.24 H new ATOM 0 HB2 SER A 13 -11.640 -3.177 -10.075 1.00 0.30 H new ATOM 0 HB3 SER A 13 -10.632 -2.598 -11.386 1.00 0.30 H new ATOM 0 HG SER A 13 -11.718 -4.581 -11.924 1.00 0.90 H new ATOM 131 N ARG A 14 -10.044 -1.694 -8.166 1.00 0.25 N ATOM 132 CA ARG A 14 -9.936 -0.373 -7.561 1.00 0.30 C ATOM 133 C ARG A 14 -8.632 -0.214 -6.809 1.00 0.24 C ATOM 134 O ARG A 14 -8.061 0.876 -6.763 1.00 0.30 O ATOM 135 CB ARG A 14 -11.118 -0.101 -6.615 1.00 0.37 C ATOM 136 CG ARG A 14 -11.200 -1.068 -5.438 1.00 0.36 C ATOM 137 CD ARG A 14 -11.056 -0.366 -4.094 1.00 0.52 C ATOM 138 NE ARG A 14 -11.940 0.795 -3.981 1.00 1.14 N ATOM 139 CZ ARG A 14 -12.091 1.520 -2.874 1.00 1.41 C ATOM 140 NH1 ARG A 14 -11.364 1.249 -1.797 1.00 1.66 N ATOM 141 NH2 ARG A 14 -12.964 2.518 -2.849 1.00 2.05 N ATOM 0 H ARG A 14 -10.792 -2.271 -7.781 1.00 0.25 H new ATOM 0 HA ARG A 14 -9.958 0.355 -8.372 1.00 0.30 H new ATOM 0 HB2 ARG A 14 -11.038 0.916 -6.232 1.00 0.37 H new ATOM 0 HB3 ARG A 14 -12.046 -0.156 -7.184 1.00 0.37 H new ATOM 0 HG2 ARG A 14 -12.155 -1.593 -5.469 1.00 0.36 H new ATOM 0 HG3 ARG A 14 -10.418 -1.821 -5.536 1.00 0.36 H new ATOM 0 HD2 ARG A 14 -11.279 -1.070 -3.292 1.00 0.52 H new ATOM 0 HD3 ARG A 14 -10.022 -0.048 -3.961 1.00 0.52 H new ATOM 0 HE ARG A 14 -12.476 1.067 -4.805 1.00 1.14 H new ATOM 0 HH11 ARG A 14 -10.689 0.485 -1.817 1.00 1.66 H new ATOM 0 HH12 ARG A 14 -11.481 1.805 -0.950 1.00 1.66 H new ATOM 0 HH21 ARG A 14 -13.520 2.730 -3.678 1.00 2.05 H new ATOM 0 HH22 ARG A 14 -13.080 3.073 -2.001 1.00 2.05 H new ATOM 155 N ILE A 15 -8.159 -1.291 -6.215 1.00 0.17 N ATOM 156 CA ILE A 15 -6.916 -1.237 -5.500 1.00 0.15 C ATOM 157 C ILE A 15 -5.771 -1.391 -6.467 1.00 0.13 C ATOM 158 O ILE A 15 -4.838 -0.611 -6.435 1.00 0.13 O ATOM 159 CB ILE A 15 -6.810 -2.336 -4.451 1.00 0.19 C ATOM 160 CG1 ILE A 15 -7.965 -2.255 -3.465 1.00 0.26 C ATOM 161 CG2 ILE A 15 -5.490 -2.213 -3.713 1.00 0.21 C ATOM 162 CD1 ILE A 15 -8.083 -3.488 -2.612 1.00 0.34 C ATOM 0 H ILE A 15 -8.617 -2.202 -6.217 1.00 0.17 H new ATOM 0 HA ILE A 15 -6.875 -0.272 -4.995 1.00 0.15 H new ATOM 0 HB ILE A 15 -6.856 -3.302 -4.954 1.00 0.19 H new ATOM 0 HG12 ILE A 15 -7.830 -1.385 -2.823 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -8.896 -2.106 -4.012 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -5.418 -3.001 -2.963 1.00 0.21 H new ATOM 0 HG22 ILE A 15 -4.667 -2.309 -4.421 1.00 0.21 H new ATOM 0 HG23 ILE A 15 -5.436 -1.240 -3.224 1.00 0.21 H new ATOM 0 HD11 ILE A 15 -8.923 -3.377 -1.926 1.00 0.34 H new ATOM 0 HD12 ILE A 15 -8.247 -4.357 -3.249 1.00 0.34 H new ATOM 0 HD13 ILE A 15 -7.165 -3.625 -2.041 1.00 0.34 H new ATOM 174 N GLN A 16 -5.873 -2.396 -7.333 1.00 0.15 N ATOM 175 CA GLN A 16 -4.797 -2.763 -8.251 1.00 0.20 C ATOM 176 C GLN A 16 -4.247 -1.566 -8.990 1.00 0.21 C ATOM 177 O GLN A 16 -3.027 -1.398 -9.071 1.00 0.24 O ATOM 178 CB GLN A 16 -5.302 -3.776 -9.253 1.00 0.25 C ATOM 179 CG GLN A 16 -4.381 -4.964 -9.444 1.00 0.40 C ATOM 180 CD GLN A 16 -3.125 -4.641 -10.225 1.00 1.08 C ATOM 181 OE1 GLN A 16 -3.105 -3.741 -11.061 1.00 1.85 O ATOM 182 NE2 GLN A 16 -2.069 -5.391 -9.964 1.00 1.71 N ATOM 0 H GLN A 16 -6.705 -2.980 -7.418 1.00 0.15 H new ATOM 0 HA GLN A 16 -3.991 -3.189 -7.653 1.00 0.20 H new ATOM 0 HB2 GLN A 16 -6.279 -4.135 -8.931 1.00 0.25 H new ATOM 0 HB3 GLN A 16 -5.445 -3.282 -10.214 1.00 0.25 H new ATOM 0 HG2 GLN A 16 -4.100 -5.355 -8.466 1.00 0.40 H new ATOM 0 HG3 GLN A 16 -4.925 -5.755 -9.959 1.00 0.40 H new ATOM 0 HE21 GLN A 16 -2.128 -6.128 -9.262 1.00 1.71 H new ATOM 0 HE22 GLN A 16 -1.195 -5.233 -10.465 1.00 1.71 H new ATOM 191 N SER A 17 -5.144 -0.727 -9.500 1.00 0.23 N ATOM 192 CA SER A 17 -4.739 0.425 -10.286 1.00 0.28 C ATOM 193 C SER A 17 -3.719 1.261 -9.528 1.00 0.25 C ATOM 194 O SER A 17 -2.680 1.629 -10.071 1.00 0.34 O ATOM 195 CB SER A 17 -5.964 1.265 -10.652 1.00 0.33 C ATOM 196 OG SER A 17 -6.944 0.471 -11.303 1.00 1.04 O ATOM 0 H SER A 17 -6.152 -0.826 -9.381 1.00 0.23 H new ATOM 0 HA SER A 17 -4.269 0.074 -11.205 1.00 0.28 H new ATOM 0 HB2 SER A 17 -6.389 1.709 -9.751 1.00 0.33 H new ATOM 0 HB3 SER A 17 -5.665 2.087 -11.302 1.00 0.33 H new ATOM 0 HG SER A 17 -7.437 -0.052 -10.637 1.00 1.04 H new ATOM 202 N GLU A 18 -4.016 1.538 -8.271 1.00 0.19 N ATOM 203 CA GLU A 18 -3.126 2.320 -7.434 1.00 0.20 C ATOM 204 C GLU A 18 -2.102 1.438 -6.720 1.00 0.16 C ATOM 205 O GLU A 18 -1.016 1.886 -6.405 1.00 0.17 O ATOM 206 CB GLU A 18 -3.933 3.112 -6.432 1.00 0.28 C ATOM 207 CG GLU A 18 -5.128 3.784 -7.062 1.00 0.37 C ATOM 208 CD GLU A 18 -4.795 5.042 -7.825 1.00 1.43 C ATOM 209 OE1 GLU A 18 -4.014 4.955 -8.795 1.00 2.36 O ATOM 210 OE2 GLU A 18 -5.299 6.120 -7.461 1.00 1.76 O ATOM 0 H GLU A 18 -4.871 1.231 -7.806 1.00 0.19 H new ATOM 0 HA GLU A 18 -2.572 3.006 -8.075 1.00 0.20 H new ATOM 0 HB2 GLU A 18 -4.270 2.449 -5.635 1.00 0.28 H new ATOM 0 HB3 GLU A 18 -3.296 3.867 -5.971 1.00 0.28 H new ATOM 0 HG2 GLU A 18 -5.613 3.080 -7.738 1.00 0.37 H new ATOM 0 HG3 GLU A 18 -5.849 4.025 -6.281 1.00 0.37 H new ATOM 217 N HIS A 19 -2.470 0.186 -6.447 1.00 0.15 N ATOM 218 CA HIS A 19 -1.591 -0.764 -5.764 1.00 0.14 C ATOM 219 C HIS A 19 -0.230 -0.776 -6.419 1.00 0.13 C ATOM 220 O HIS A 19 0.760 -0.591 -5.736 1.00 0.13 O ATOM 221 CB HIS A 19 -2.240 -2.175 -5.721 1.00 0.15 C ATOM 222 CG HIS A 19 -1.295 -3.338 -5.856 1.00 0.21 C ATOM 223 ND1 HIS A 19 -0.398 -3.718 -4.878 1.00 0.26 N ATOM 224 CD2 HIS A 19 -1.129 -4.217 -6.871 1.00 0.29 C ATOM 225 CE1 HIS A 19 0.276 -4.776 -5.292 1.00 0.35 C ATOM 226 NE2 HIS A 19 -0.148 -5.096 -6.496 1.00 0.36 N ATOM 0 H HIS A 19 -3.383 -0.197 -6.692 1.00 0.15 H new ATOM 0 HA HIS A 19 -1.452 -0.448 -4.730 1.00 0.14 H new ATOM 0 HB2 HIS A 19 -2.779 -2.277 -4.779 1.00 0.15 H new ATOM 0 HB3 HIS A 19 -2.979 -2.238 -6.519 1.00 0.15 H new ATOM 0 HD2 HIS A 19 -1.671 -4.224 -7.805 1.00 0.29 H new ATOM 0 HE1 HIS A 19 1.045 -5.291 -4.736 1.00 0.35 H new ATOM 0 HE2 HIS A 19 0.198 -5.873 -7.059 1.00 0.36 H new ATOM 235 N ARG A 20 -0.203 -0.926 -7.737 1.00 0.14 N ATOM 236 CA ARG A 20 1.047 -0.926 -8.492 1.00 0.14 C ATOM 237 C ARG A 20 1.811 0.376 -8.254 1.00 0.12 C ATOM 238 O ARG A 20 3.034 0.385 -8.130 1.00 0.15 O ATOM 239 CB ARG A 20 0.740 -1.098 -9.982 1.00 0.19 C ATOM 240 CG ARG A 20 -0.091 -2.337 -10.285 1.00 0.25 C ATOM 241 CD ARG A 20 0.712 -3.389 -11.038 1.00 0.90 C ATOM 242 NE ARG A 20 2.033 -3.622 -10.448 1.00 2.11 N ATOM 243 CZ ARG A 20 2.724 -4.751 -10.593 1.00 2.93 C ATOM 244 NH1 ARG A 20 2.208 -5.766 -11.271 1.00 2.80 N ATOM 245 NH2 ARG A 20 3.937 -4.858 -10.066 1.00 4.14 N ATOM 0 H ARG A 20 -1.038 -1.050 -8.310 1.00 0.14 H new ATOM 0 HA ARG A 20 1.670 -1.754 -8.155 1.00 0.14 H new ATOM 0 HB2 ARG A 20 0.209 -0.216 -10.341 1.00 0.19 H new ATOM 0 HB3 ARG A 20 1.677 -1.153 -10.535 1.00 0.19 H new ATOM 0 HG2 ARG A 20 -0.462 -2.762 -9.352 1.00 0.25 H new ATOM 0 HG3 ARG A 20 -0.963 -2.054 -10.875 1.00 0.25 H new ATOM 0 HD2 ARG A 20 0.154 -4.325 -11.051 1.00 0.90 H new ATOM 0 HD3 ARG A 20 0.832 -3.075 -12.075 1.00 0.90 H new ATOM 0 HE ARG A 20 2.448 -2.874 -9.893 1.00 2.11 H new ATOM 0 HH11 ARG A 20 1.279 -5.684 -11.684 1.00 2.80 H new ATOM 0 HH12 ARG A 20 2.740 -6.629 -11.380 1.00 2.80 H new ATOM 0 HH21 ARG A 20 4.340 -4.076 -9.550 1.00 4.14 H new ATOM 0 HH22 ARG A 20 4.467 -5.723 -10.177 1.00 4.14 H new ATOM 259 N GLU A 21 1.059 1.456 -8.148 1.00 0.14 N ATOM 260 CA GLU A 21 1.607 2.783 -7.911 1.00 0.14 C ATOM 261 C GLU A 21 2.272 2.861 -6.542 1.00 0.11 C ATOM 262 O GLU A 21 3.385 3.367 -6.412 1.00 0.13 O ATOM 263 CB GLU A 21 0.478 3.807 -7.992 1.00 0.20 C ATOM 264 CG GLU A 21 -0.490 3.557 -9.142 1.00 0.33 C ATOM 265 CD GLU A 21 0.166 3.680 -10.506 1.00 0.52 C ATOM 266 OE1 GLU A 21 0.106 4.772 -11.107 1.00 0.98 O ATOM 267 OE2 GLU A 21 0.743 2.689 -10.988 1.00 0.82 O ATOM 0 H GLU A 21 0.042 1.439 -8.224 1.00 0.14 H new ATOM 0 HA GLU A 21 2.362 2.994 -8.669 1.00 0.14 H new ATOM 0 HB2 GLU A 21 -0.076 3.800 -7.053 1.00 0.20 H new ATOM 0 HB3 GLU A 21 0.909 4.803 -8.100 1.00 0.20 H new ATOM 0 HG2 GLU A 21 -0.918 2.560 -9.039 1.00 0.33 H new ATOM 0 HG3 GLU A 21 -1.315 4.266 -9.076 1.00 0.33 H new ATOM 274 N LEU A 22 1.576 2.369 -5.523 1.00 0.10 N ATOM 275 CA LEU A 22 2.110 2.364 -4.163 1.00 0.09 C ATOM 276 C LEU A 22 3.416 1.593 -4.083 1.00 0.09 C ATOM 277 O LEU A 22 4.330 1.988 -3.368 1.00 0.12 O ATOM 278 CB LEU A 22 1.117 1.779 -3.147 1.00 0.10 C ATOM 279 CG LEU A 22 -0.010 2.710 -2.715 1.00 0.15 C ATOM 280 CD1 LEU A 22 0.516 4.129 -2.575 1.00 0.18 C ATOM 281 CD2 LEU A 22 -1.155 2.668 -3.694 1.00 0.22 C ATOM 0 H LEU A 22 0.642 1.969 -5.611 1.00 0.10 H new ATOM 0 HA LEU A 22 2.289 3.408 -3.907 1.00 0.09 H new ATOM 0 HB2 LEU A 22 0.676 0.878 -3.574 1.00 0.10 H new ATOM 0 HB3 LEU A 22 1.671 1.473 -2.260 1.00 0.10 H new ATOM 0 HG LEU A 22 -0.384 2.371 -1.749 1.00 0.15 H new ATOM 0 HD11 LEU A 22 -0.295 4.789 -2.266 1.00 0.18 H new ATOM 0 HD12 LEU A 22 1.307 4.151 -1.826 1.00 0.18 H new ATOM 0 HD13 LEU A 22 0.913 4.466 -3.533 1.00 0.18 H new ATOM 0 HD21 LEU A 22 -1.944 3.342 -3.360 1.00 0.22 H new ATOM 0 HD22 LEU A 22 -0.804 2.979 -4.678 1.00 0.22 H new ATOM 0 HD23 LEU A 22 -1.546 1.652 -3.753 1.00 0.22 H new ATOM 293 N VAL A 23 3.515 0.492 -4.810 1.00 0.08 N ATOM 294 CA VAL A 23 4.728 -0.292 -4.775 1.00 0.09 C ATOM 295 C VAL A 23 5.801 0.359 -5.637 1.00 0.11 C ATOM 296 O VAL A 23 6.992 0.281 -5.327 1.00 0.12 O ATOM 297 CB VAL A 23 4.503 -1.762 -5.175 1.00 0.11 C ATOM 298 CG1 VAL A 23 3.064 -2.047 -5.561 1.00 0.13 C ATOM 299 CG2 VAL A 23 5.435 -2.163 -6.288 1.00 0.12 C ATOM 0 H VAL A 23 2.782 0.130 -5.420 1.00 0.08 H new ATOM 0 HA VAL A 23 5.070 -0.311 -3.740 1.00 0.09 H new ATOM 0 HB VAL A 23 4.724 -2.363 -4.293 1.00 0.11 H new ATOM 0 HG11 VAL A 23 2.962 -3.097 -5.834 1.00 0.13 H new ATOM 0 HG12 VAL A 23 2.410 -1.826 -4.717 1.00 0.13 H new ATOM 0 HG13 VAL A 23 2.784 -1.423 -6.410 1.00 0.13 H new ATOM 0 HG21 VAL A 23 5.258 -3.205 -6.553 1.00 0.12 H new ATOM 0 HG22 VAL A 23 5.256 -1.531 -7.158 1.00 0.12 H new ATOM 0 HG23 VAL A 23 6.467 -2.043 -5.959 1.00 0.12 H new ATOM 309 N SER A 24 5.373 1.008 -6.712 1.00 0.12 N ATOM 310 CA SER A 24 6.262 1.852 -7.496 1.00 0.15 C ATOM 311 C SER A 24 6.885 2.901 -6.581 1.00 0.13 C ATOM 312 O SER A 24 8.028 3.325 -6.766 1.00 0.15 O ATOM 313 CB SER A 24 5.480 2.529 -8.624 1.00 0.19 C ATOM 314 OG SER A 24 6.344 3.199 -9.522 1.00 0.74 O ATOM 0 H SER A 24 4.415 0.965 -7.060 1.00 0.12 H new ATOM 0 HA SER A 24 7.050 1.244 -7.940 1.00 0.15 H new ATOM 0 HB2 SER A 24 4.899 1.782 -9.165 1.00 0.19 H new ATOM 0 HB3 SER A 24 4.770 3.240 -8.201 1.00 0.19 H new ATOM 0 HG SER A 24 5.815 3.620 -10.232 1.00 0.74 H new ATOM 320 N ALA A 25 6.126 3.282 -5.564 1.00 0.10 N ATOM 321 CA ALA A 25 6.593 4.244 -4.581 1.00 0.09 C ATOM 322 C ALA A 25 7.410 3.549 -3.506 1.00 0.08 C ATOM 323 O ALA A 25 8.348 4.131 -2.976 1.00 0.08 O ATOM 324 CB ALA A 25 5.424 4.978 -3.951 1.00 0.12 C ATOM 0 H ALA A 25 5.180 2.937 -5.399 1.00 0.10 H new ATOM 0 HA ALA A 25 7.226 4.971 -5.091 1.00 0.09 H new ATOM 0 HB1 ALA A 25 5.796 5.694 -3.218 1.00 0.12 H new ATOM 0 HB2 ALA A 25 4.867 5.507 -4.724 1.00 0.12 H new ATOM 0 HB3 ALA A 25 4.768 4.261 -3.458 1.00 0.12 H new ATOM 330 N ILE A 26 7.059 2.303 -3.179 1.00 0.08 N ATOM 331 CA ILE A 26 7.821 1.545 -2.208 1.00 0.08 C ATOM 332 C ILE A 26 9.247 1.361 -2.685 1.00 0.09 C ATOM 333 O ILE A 26 10.193 1.586 -1.939 1.00 0.12 O ATOM 334 CB ILE A 26 7.185 0.163 -1.902 1.00 0.11 C ATOM 335 CG1 ILE A 26 6.474 0.222 -0.569 1.00 0.18 C ATOM 336 CG2 ILE A 26 8.219 -0.957 -1.882 1.00 0.15 C ATOM 337 CD1 ILE A 26 6.072 -1.138 -0.085 1.00 0.20 C ATOM 0 H ILE A 26 6.258 1.809 -3.573 1.00 0.08 H new ATOM 0 HA ILE A 26 7.815 2.119 -1.282 1.00 0.08 H new ATOM 0 HB ILE A 26 6.478 -0.060 -2.701 1.00 0.11 H new ATOM 0 HG12 ILE A 26 7.125 0.691 0.168 1.00 0.18 H new ATOM 0 HG13 ILE A 26 5.588 0.851 -0.658 1.00 0.18 H new ATOM 0 HG21 ILE A 26 7.725 -1.904 -1.664 1.00 0.15 H new ATOM 0 HG22 ILE A 26 8.708 -1.018 -2.854 1.00 0.15 H new ATOM 0 HG23 ILE A 26 8.964 -0.751 -1.114 1.00 0.15 H new ATOM 0 HD11 ILE A 26 5.565 -1.047 0.875 1.00 0.20 H new ATOM 0 HD12 ILE A 26 5.399 -1.598 -0.809 1.00 0.20 H new ATOM 0 HD13 ILE A 26 6.960 -1.760 0.031 1.00 0.20 H new ATOM 349 N GLN A 27 9.386 0.980 -3.941 1.00 0.09 N ATOM 350 CA GLN A 27 10.691 0.754 -4.529 1.00 0.11 C ATOM 351 C GLN A 27 11.499 2.046 -4.500 1.00 0.13 C ATOM 352 O GLN A 27 12.726 2.037 -4.391 1.00 0.17 O ATOM 353 CB GLN A 27 10.520 0.252 -5.963 1.00 0.11 C ATOM 354 CG GLN A 27 9.715 -1.029 -6.051 1.00 0.13 C ATOM 355 CD GLN A 27 9.543 -1.523 -7.471 1.00 0.19 C ATOM 356 OE1 GLN A 27 10.368 -2.283 -7.980 1.00 0.99 O ATOM 357 NE2 GLN A 27 8.468 -1.103 -8.118 1.00 1.25 N ATOM 0 H GLN A 27 8.605 0.820 -4.577 1.00 0.09 H new ATOM 0 HA GLN A 27 11.230 -0.000 -3.956 1.00 0.11 H new ATOM 0 HB2 GLN A 27 10.030 1.024 -6.556 1.00 0.11 H new ATOM 0 HB3 GLN A 27 11.503 0.088 -6.404 1.00 0.11 H new ATOM 0 HG2 GLN A 27 10.207 -1.802 -5.460 1.00 0.13 H new ATOM 0 HG3 GLN A 27 8.733 -0.866 -5.608 1.00 0.13 H new ATOM 0 HE21 GLN A 27 7.810 -0.474 -7.659 1.00 1.25 H new ATOM 0 HE22 GLN A 27 8.297 -1.409 -9.076 1.00 1.25 H new ATOM 366 N SER A 28 10.776 3.150 -4.573 1.00 0.13 N ATOM 367 CA SER A 28 11.347 4.477 -4.497 1.00 0.16 C ATOM 368 C SER A 28 11.722 4.831 -3.048 1.00 0.18 C ATOM 369 O SER A 28 12.837 5.277 -2.775 1.00 0.22 O ATOM 370 CB SER A 28 10.313 5.455 -5.056 1.00 0.16 C ATOM 371 OG SER A 28 10.036 5.173 -6.419 1.00 0.68 O ATOM 0 H SER A 28 9.763 3.146 -4.688 1.00 0.13 H new ATOM 0 HA SER A 28 12.267 4.530 -5.080 1.00 0.16 H new ATOM 0 HB2 SER A 28 9.394 5.392 -4.473 1.00 0.16 H new ATOM 0 HB3 SER A 28 10.682 6.476 -4.959 1.00 0.16 H new ATOM 0 HG SER A 28 9.362 4.464 -6.476 1.00 0.68 H new ATOM 377 N TYR A 29 10.780 4.612 -2.133 1.00 0.16 N ATOM 378 CA TYR A 29 10.970 4.859 -0.704 1.00 0.19 C ATOM 379 C TYR A 29 12.114 4.013 -0.159 1.00 0.24 C ATOM 380 O TYR A 29 13.083 4.530 0.391 1.00 0.28 O ATOM 381 CB TYR A 29 9.664 4.509 0.026 1.00 0.15 C ATOM 382 CG TYR A 29 9.589 4.864 1.508 1.00 0.17 C ATOM 383 CD1 TYR A 29 8.395 4.853 2.225 1.00 0.17 C ATOM 384 CD2 TYR A 29 10.746 5.236 2.183 1.00 0.24 C ATOM 385 CE1 TYR A 29 8.371 5.197 3.563 1.00 0.22 C ATOM 386 CE2 TYR A 29 10.724 5.584 3.521 1.00 0.27 C ATOM 387 CZ TYR A 29 9.368 5.464 4.219 1.00 0.22 C ATOM 388 OH TYR A 29 9.504 5.914 5.533 1.00 0.32 O ATOM 0 H TYR A 29 9.853 4.254 -2.365 1.00 0.16 H new ATOM 0 HA TYR A 29 11.222 5.907 -0.545 1.00 0.19 H new ATOM 0 HB2 TYR A 29 8.843 5.012 -0.486 1.00 0.15 H new ATOM 0 HB3 TYR A 29 9.494 3.437 -0.076 1.00 0.15 H new ATOM 0 HD1 TYR A 29 7.477 4.572 1.729 1.00 0.17 H new ATOM 0 HD2 TYR A 29 11.685 5.254 1.649 1.00 0.24 H new ATOM 0 HE1 TYR A 29 7.413 5.232 4.060 1.00 0.22 H new ATOM 0 HE2 TYR A 29 11.609 5.920 4.041 1.00 0.27 H new ATOM 0 HH TYR A 29 10.454 6.027 5.743 1.00 0.32 H new ATOM 398 N ILE A 30 11.992 2.709 -0.331 1.00 0.25 N ATOM 399 CA ILE A 30 12.923 1.758 0.246 1.00 0.32 C ATOM 400 C ILE A 30 14.339 1.954 -0.269 1.00 0.38 C ATOM 401 O ILE A 30 15.298 1.891 0.499 1.00 0.44 O ATOM 402 CB ILE A 30 12.468 0.325 -0.049 1.00 0.30 C ATOM 403 CG1 ILE A 30 11.093 0.096 0.565 1.00 0.28 C ATOM 404 CG2 ILE A 30 13.480 -0.674 0.470 1.00 0.40 C ATOM 405 CD1 ILE A 30 10.587 -1.313 0.426 1.00 0.29 C ATOM 0 H ILE A 30 11.244 2.280 -0.875 1.00 0.25 H new ATOM 0 HA ILE A 30 12.931 1.932 1.322 1.00 0.32 H new ATOM 0 HB ILE A 30 12.396 0.181 -1.127 1.00 0.30 H new ATOM 0 HG12 ILE A 30 11.132 0.354 1.623 1.00 0.28 H new ATOM 0 HG13 ILE A 30 10.380 0.775 0.097 1.00 0.28 H new ATOM 0 HG21 ILE A 30 13.138 -1.686 0.251 1.00 0.40 H new ATOM 0 HG22 ILE A 30 14.441 -0.503 -0.014 1.00 0.40 H new ATOM 0 HG23 ILE A 30 13.590 -0.554 1.548 1.00 0.40 H new ATOM 0 HD11 ILE A 30 9.603 -1.394 0.888 1.00 0.29 H new ATOM 0 HD12 ILE A 30 10.514 -1.571 -0.631 1.00 0.29 H new ATOM 0 HD13 ILE A 30 11.277 -1.998 0.919 1.00 0.29 H new ATOM 417 N GLY A 31 14.468 2.221 -1.559 1.00 0.38 N ATOM 418 CA GLY A 31 15.783 2.397 -2.139 1.00 0.47 C ATOM 419 C GLY A 31 16.425 3.693 -1.688 1.00 0.50 C ATOM 420 O GLY A 31 17.610 3.931 -1.929 1.00 0.57 O ATOM 0 H GLY A 31 13.691 2.319 -2.212 1.00 0.38 H new ATOM 0 HA2 GLY A 31 16.420 1.558 -1.858 1.00 0.47 H new ATOM 0 HA3 GLY A 31 15.705 2.388 -3.226 1.00 0.47 H new ATOM 424 N ALA A 32 15.633 4.526 -1.028 1.00 0.48 N ATOM 425 CA ALA A 32 16.101 5.794 -0.499 1.00 0.51 C ATOM 426 C ALA A 32 16.422 5.670 0.979 1.00 0.54 C ATOM 427 O ALA A 32 17.214 6.442 1.524 1.00 0.60 O ATOM 428 CB ALA A 32 15.033 6.852 -0.686 1.00 0.46 C ATOM 0 H ALA A 32 14.647 4.339 -0.845 1.00 0.48 H new ATOM 0 HA ALA A 32 17.005 6.079 -1.037 1.00 0.51 H new ATOM 0 HB1 ALA A 32 15.388 7.802 -0.287 1.00 0.46 H new ATOM 0 HB2 ALA A 32 14.813 6.963 -1.748 1.00 0.46 H new ATOM 0 HB3 ALA A 32 14.128 6.553 -0.157 1.00 0.46 H new ATOM 434 N GLN A 33 15.781 4.703 1.619 1.00 0.50 N ATOM 435 CA GLN A 33 15.875 4.522 3.043 1.00 0.53 C ATOM 436 C GLN A 33 17.288 4.321 3.551 1.00 0.65 C ATOM 437 O GLN A 33 18.210 3.985 2.803 1.00 0.70 O ATOM 438 CB GLN A 33 15.036 3.346 3.444 1.00 0.50 C ATOM 439 CG GLN A 33 13.594 3.722 3.599 1.00 0.42 C ATOM 440 CD GLN A 33 13.304 4.266 4.990 1.00 0.44 C ATOM 441 OE1 GLN A 33 14.150 4.920 5.596 1.00 1.04 O ATOM 442 NE2 GLN A 33 12.125 3.978 5.518 1.00 1.19 N ATOM 0 H GLN A 33 15.180 4.023 1.154 1.00 0.50 H new ATOM 0 HA GLN A 33 15.515 5.446 3.495 1.00 0.53 H new ATOM 0 HB2 GLN A 33 15.129 2.560 2.694 1.00 0.50 H new ATOM 0 HB3 GLN A 33 15.408 2.936 4.383 1.00 0.50 H new ATOM 0 HG2 GLN A 33 13.330 4.471 2.852 1.00 0.42 H new ATOM 0 HG3 GLN A 33 12.968 2.850 3.411 1.00 0.42 H new ATOM 0 HE21 GLN A 33 11.447 3.433 4.985 1.00 1.19 H new ATOM 0 HE22 GLN A 33 11.894 4.301 6.457 1.00 1.19 H new ATOM 451 N ASP A 34 17.422 4.513 4.851 1.00 0.72 N ATOM 452 CA ASP A 34 18.677 4.302 5.549 1.00 0.85 C ATOM 453 C ASP A 34 18.985 2.820 5.618 1.00 0.88 C ATOM 454 O ASP A 34 20.142 2.403 5.613 1.00 0.99 O ATOM 455 CB ASP A 34 18.586 4.888 6.950 1.00 0.90 C ATOM 456 CG ASP A 34 19.942 5.062 7.601 1.00 1.06 C ATOM 457 OD1 ASP A 34 20.174 4.470 8.677 1.00 1.14 O ATOM 458 OD2 ASP A 34 20.781 5.800 7.046 1.00 1.22 O ATOM 0 H ASP A 34 16.660 4.821 5.455 1.00 0.72 H new ATOM 0 HA ASP A 34 19.481 4.801 5.008 1.00 0.85 H new ATOM 0 HB2 ASP A 34 18.084 5.854 6.903 1.00 0.90 H new ATOM 0 HB3 ASP A 34 17.970 4.238 7.572 1.00 0.90 H new ATOM 463 N ASP A 35 17.925 2.038 5.668 1.00 0.82 N ATOM 464 CA ASP A 35 18.023 0.590 5.627 1.00 0.89 C ATOM 465 C ASP A 35 16.927 0.053 4.731 1.00 0.80 C ATOM 466 O ASP A 35 15.781 -0.063 5.151 1.00 0.77 O ATOM 467 CB ASP A 35 17.874 -0.071 7.005 1.00 0.99 C ATOM 468 CG ASP A 35 17.880 0.889 8.179 1.00 1.60 C ATOM 469 OD1 ASP A 35 16.812 1.444 8.503 1.00 2.19 O ATOM 470 OD2 ASP A 35 18.961 1.120 8.763 1.00 1.95 O ATOM 0 H ASP A 35 16.969 2.388 5.738 1.00 0.82 H new ATOM 0 HA ASP A 35 19.019 0.352 5.253 1.00 0.89 H new ATOM 0 HB2 ASP A 35 16.942 -0.636 7.022 1.00 0.99 H new ATOM 0 HB3 ASP A 35 18.684 -0.788 7.137 1.00 0.99 H new ATOM 475 N PRO A 36 17.254 -0.282 3.484 1.00 0.79 N ATOM 476 CA PRO A 36 16.280 -0.803 2.523 1.00 0.72 C ATOM 477 C PRO A 36 15.926 -2.242 2.827 1.00 0.77 C ATOM 478 O PRO A 36 14.975 -2.811 2.291 1.00 0.77 O ATOM 479 CB PRO A 36 17.046 -0.705 1.214 1.00 0.73 C ATOM 480 CG PRO A 36 18.442 -0.981 1.629 1.00 0.84 C ATOM 481 CD PRO A 36 18.602 -0.196 2.894 1.00 0.85 C ATOM 0 HA PRO A 36 15.332 -0.265 2.527 1.00 0.72 H new ATOM 0 HB2 PRO A 36 16.691 -1.430 0.482 1.00 0.73 H new ATOM 0 HB3 PRO A 36 16.946 0.281 0.760 1.00 0.73 H new ATOM 0 HG2 PRO A 36 18.606 -2.046 1.796 1.00 0.84 H new ATOM 0 HG3 PRO A 36 19.155 -0.663 0.868 1.00 0.84 H new ATOM 0 HD2 PRO A 36 19.361 -0.626 3.547 1.00 0.85 H new ATOM 0 HD3 PRO A 36 18.897 0.835 2.699 1.00 0.85 H new ATOM 489 N THR A 37 16.706 -2.800 3.717 1.00 0.84 N ATOM 490 CA THR A 37 16.605 -4.188 4.090 1.00 0.90 C ATOM 491 C THR A 37 15.380 -4.430 4.955 1.00 0.89 C ATOM 492 O THR A 37 14.782 -5.501 4.933 1.00 0.91 O ATOM 493 CB THR A 37 17.880 -4.598 4.839 1.00 1.03 C ATOM 494 OG1 THR A 37 17.908 -3.965 6.126 1.00 1.07 O ATOM 495 CG2 THR A 37 19.103 -4.155 4.052 1.00 1.06 C ATOM 0 H THR A 37 17.441 -2.294 4.211 1.00 0.84 H new ATOM 0 HA THR A 37 16.498 -4.793 3.190 1.00 0.90 H new ATOM 0 HB THR A 37 17.888 -5.682 4.957 1.00 1.03 H new ATOM 0 HG1 THR A 37 18.722 -4.230 6.603 1.00 1.07 H new ATOM 0 HG21 THR A 37 20.006 -4.448 4.587 1.00 1.06 H new ATOM 0 HG22 THR A 37 19.094 -4.627 3.070 1.00 1.06 H new ATOM 0 HG23 THR A 37 19.087 -3.072 3.934 1.00 1.06 H new ATOM 503 N ASN A 38 15.019 -3.412 5.703 1.00 0.87 N ATOM 504 CA ASN A 38 13.803 -3.401 6.489 1.00 0.88 C ATOM 505 C ASN A 38 13.513 -1.979 6.931 1.00 0.80 C ATOM 506 O ASN A 38 13.697 -1.614 8.090 1.00 0.86 O ATOM 507 CB ASN A 38 13.947 -4.346 7.669 1.00 1.05 C ATOM 508 CG ASN A 38 12.696 -4.458 8.524 1.00 1.02 C ATOM 509 OD1 ASN A 38 12.502 -3.700 9.476 1.00 1.43 O ATOM 510 ND2 ASN A 38 11.845 -5.419 8.203 1.00 1.64 N ATOM 0 H ASN A 38 15.568 -2.556 5.785 1.00 0.87 H new ATOM 0 HA ASN A 38 12.960 -3.750 5.893 1.00 0.88 H new ATOM 0 HB2 ASN A 38 14.212 -5.336 7.299 1.00 1.05 H new ATOM 0 HB3 ASN A 38 14.773 -4.008 8.294 1.00 1.05 H new ATOM 0 HD21 ASN A 38 10.995 -5.551 8.751 1.00 1.64 H new ATOM 0 HD22 ASN A 38 12.039 -6.027 7.408 1.00 1.64 H new ATOM 517 N PRO A 39 13.111 -1.141 5.967 1.00 0.68 N ATOM 518 CA PRO A 39 12.776 0.259 6.217 1.00 0.61 C ATOM 519 C PRO A 39 11.595 0.439 7.159 1.00 0.63 C ATOM 520 O PRO A 39 10.982 -0.535 7.608 1.00 0.73 O ATOM 521 CB PRO A 39 12.424 0.806 4.832 1.00 0.53 C ATOM 522 CG PRO A 39 12.149 -0.386 3.994 1.00 0.54 C ATOM 523 CD PRO A 39 12.993 -1.484 4.541 1.00 0.64 C ATOM 0 HA PRO A 39 13.604 0.773 6.704 1.00 0.61 H new ATOM 0 HB2 PRO A 39 11.555 1.462 4.878 1.00 0.53 H new ATOM 0 HB3 PRO A 39 13.245 1.393 4.422 1.00 0.53 H new ATOM 0 HG2 PRO A 39 11.093 -0.652 4.031 1.00 0.54 H new ATOM 0 HG3 PRO A 39 12.392 -0.192 2.949 1.00 0.54 H new ATOM 0 HD2 PRO A 39 12.527 -2.459 4.399 1.00 0.64 H new ATOM 0 HD3 PRO A 39 13.968 -1.523 4.054 1.00 0.64 H new ATOM 531 N SER A 40 11.295 1.693 7.451 1.00 0.58 N ATOM 532 CA SER A 40 10.125 2.063 8.232 1.00 0.61 C ATOM 533 C SER A 40 8.874 1.427 7.642 1.00 0.53 C ATOM 534 O SER A 40 8.833 1.106 6.451 1.00 0.49 O ATOM 535 CB SER A 40 9.979 3.583 8.205 1.00 0.64 C ATOM 536 OG SER A 40 11.242 4.215 8.355 1.00 0.77 O ATOM 0 H SER A 40 11.859 2.488 7.152 1.00 0.58 H new ATOM 0 HA SER A 40 10.248 1.712 9.256 1.00 0.61 H new ATOM 0 HB2 SER A 40 9.522 3.892 7.265 1.00 0.64 H new ATOM 0 HB3 SER A 40 9.310 3.903 9.004 1.00 0.64 H new ATOM 0 HG SER A 40 11.126 5.188 8.333 1.00 0.77 H new ATOM 542 N GLU A 41 7.862 1.238 8.475 1.00 0.58 N ATOM 543 CA GLU A 41 6.601 0.718 8.009 1.00 0.55 C ATOM 544 C GLU A 41 5.965 1.717 7.075 1.00 0.51 C ATOM 545 O GLU A 41 5.469 2.774 7.472 1.00 0.72 O ATOM 546 CB GLU A 41 5.709 0.350 9.183 1.00 0.66 C ATOM 547 CG GLU A 41 4.226 0.478 8.907 1.00 0.66 C ATOM 548 CD GLU A 41 3.370 0.014 10.068 1.00 0.82 C ATOM 549 OE1 GLU A 41 2.907 -1.145 10.048 1.00 0.85 O ATOM 550 OE2 GLU A 41 3.147 0.806 11.006 1.00 0.99 O ATOM 0 H GLU A 41 7.896 1.439 9.474 1.00 0.58 H new ATOM 0 HA GLU A 41 6.759 -0.203 7.447 1.00 0.55 H new ATOM 0 HB2 GLU A 41 5.924 -0.677 9.479 1.00 0.66 H new ATOM 0 HB3 GLU A 41 5.964 0.986 10.031 1.00 0.66 H new ATOM 0 HG2 GLU A 41 3.992 1.518 8.682 1.00 0.66 H new ATOM 0 HG3 GLU A 41 3.975 -0.104 8.021 1.00 0.66 H new ATOM 557 N ILE A 42 6.034 1.354 5.821 1.00 0.29 N ATOM 558 CA ILE A 42 5.687 2.216 4.734 1.00 0.21 C ATOM 559 C ILE A 42 4.186 2.412 4.627 1.00 0.22 C ATOM 560 O ILE A 42 3.414 1.450 4.653 1.00 0.27 O ATOM 561 CB ILE A 42 6.249 1.635 3.437 1.00 0.16 C ATOM 562 CG1 ILE A 42 7.773 1.732 3.465 1.00 0.17 C ATOM 563 CG2 ILE A 42 5.670 2.343 2.237 1.00 0.13 C ATOM 564 CD1 ILE A 42 8.419 1.502 2.130 1.00 0.15 C ATOM 0 H ILE A 42 6.341 0.427 5.526 1.00 0.29 H new ATOM 0 HA ILE A 42 6.123 3.198 4.917 1.00 0.21 H new ATOM 0 HB ILE A 42 5.966 0.586 3.355 1.00 0.16 H new ATOM 0 HG12 ILE A 42 8.058 2.718 3.831 1.00 0.17 H new ATOM 0 HG13 ILE A 42 8.161 1.003 4.176 1.00 0.17 H new ATOM 0 HG21 ILE A 42 6.085 1.912 1.325 1.00 0.13 H new ATOM 0 HG22 ILE A 42 4.586 2.226 2.233 1.00 0.13 H new ATOM 0 HG23 ILE A 42 5.920 3.403 2.284 1.00 0.13 H new ATOM 0 HD11 ILE A 42 9.501 1.587 2.230 1.00 0.15 H new ATOM 0 HD12 ILE A 42 8.165 0.505 1.770 1.00 0.15 H new ATOM 0 HD13 ILE A 42 8.061 2.247 1.419 1.00 0.15 H new ATOM 576 N THR A 43 3.775 3.664 4.523 1.00 0.19 N ATOM 577 CA THR A 43 2.374 3.980 4.371 1.00 0.19 C ATOM 578 C THR A 43 2.166 4.934 3.227 1.00 0.16 C ATOM 579 O THR A 43 3.117 5.497 2.697 1.00 0.15 O ATOM 580 CB THR A 43 1.771 4.586 5.651 1.00 0.21 C ATOM 581 OG1 THR A 43 2.434 5.813 5.971 1.00 0.21 O ATOM 582 CG2 THR A 43 1.898 3.616 6.818 1.00 0.22 C ATOM 0 H THR A 43 4.394 4.474 4.542 1.00 0.19 H new ATOM 0 HA THR A 43 1.863 3.039 4.166 1.00 0.19 H new ATOM 0 HB THR A 43 0.714 4.781 5.473 1.00 0.21 H new ATOM 0 HG1 THR A 43 2.043 6.193 6.786 1.00 0.21 H new ATOM 0 HG21 THR A 43 1.466 4.064 7.712 1.00 0.22 H new ATOM 0 HG22 THR A 43 1.369 2.693 6.583 1.00 0.22 H new ATOM 0 HG23 THR A 43 2.951 3.396 6.995 1.00 0.22 H new ATOM 590 N LEU A 44 0.922 5.119 2.863 1.00 0.16 N ATOM 591 CA LEU A 44 0.570 5.980 1.756 1.00 0.15 C ATOM 592 C LEU A 44 0.951 7.411 2.059 1.00 0.15 C ATOM 593 O LEU A 44 1.451 8.144 1.206 1.00 0.16 O ATOM 594 CB LEU A 44 -0.915 5.874 1.518 1.00 0.16 C ATOM 595 CG LEU A 44 -1.420 4.452 1.395 1.00 0.15 C ATOM 596 CD1 LEU A 44 -2.831 4.430 0.858 1.00 0.17 C ATOM 597 CD2 LEU A 44 -0.475 3.647 0.523 1.00 0.18 C ATOM 0 H LEU A 44 0.125 4.679 3.323 1.00 0.16 H new ATOM 0 HA LEU A 44 1.111 5.669 0.862 1.00 0.15 H new ATOM 0 HB2 LEU A 44 -1.440 6.365 2.337 1.00 0.16 H new ATOM 0 HB3 LEU A 44 -1.166 6.418 0.607 1.00 0.16 H new ATOM 0 HG LEU A 44 -1.446 3.993 2.383 1.00 0.15 H new ATOM 0 HD11 LEU A 44 -3.174 3.398 0.778 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -3.486 4.979 1.535 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -2.853 4.897 -0.127 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -0.842 2.624 0.437 1.00 0.18 H new ATOM 0 HD22 LEU A 44 -0.421 4.098 -0.468 1.00 0.18 H new ATOM 0 HD23 LEU A 44 0.518 3.640 0.973 1.00 0.18 H new ATOM 609 N ALA A 45 0.733 7.777 3.304 1.00 0.15 N ATOM 610 CA ALA A 45 1.031 9.106 3.784 1.00 0.15 C ATOM 611 C ALA A 45 2.542 9.367 3.755 1.00 0.15 C ATOM 612 O ALA A 45 2.988 10.514 3.714 1.00 0.18 O ATOM 613 CB ALA A 45 0.460 9.252 5.182 1.00 0.18 C ATOM 0 H ALA A 45 0.342 7.157 4.013 1.00 0.15 H new ATOM 0 HA ALA A 45 0.572 9.851 3.134 1.00 0.15 H new ATOM 0 HB1 ALA A 45 0.676 10.251 5.561 1.00 0.18 H new ATOM 0 HB2 ALA A 45 -0.619 9.101 5.152 1.00 0.18 H new ATOM 0 HB3 ALA A 45 0.912 8.509 5.839 1.00 0.18 H new ATOM 619 N LYS A 46 3.316 8.284 3.778 1.00 0.15 N ATOM 620 CA LYS A 46 4.767 8.344 3.660 1.00 0.15 C ATOM 621 C LYS A 46 5.211 8.246 2.209 1.00 0.13 C ATOM 622 O LYS A 46 6.208 8.838 1.816 1.00 0.13 O ATOM 623 CB LYS A 46 5.374 7.187 4.422 1.00 0.16 C ATOM 624 CG LYS A 46 5.157 7.243 5.914 1.00 0.20 C ATOM 625 CD LYS A 46 5.679 5.985 6.573 1.00 0.22 C ATOM 626 CE LYS A 46 5.139 5.836 7.975 1.00 0.30 C ATOM 627 NZ LYS A 46 5.607 6.912 8.886 1.00 0.36 N ATOM 0 H LYS A 46 2.950 7.337 3.880 1.00 0.15 H new ATOM 0 HA LYS A 46 5.099 9.300 4.066 1.00 0.15 H new ATOM 0 HB2 LYS A 46 4.954 6.256 4.040 1.00 0.16 H new ATOM 0 HB3 LYS A 46 6.445 7.159 4.223 1.00 0.16 H new ATOM 0 HG2 LYS A 46 5.663 8.115 6.329 1.00 0.20 H new ATOM 0 HG3 LYS A 46 4.095 7.359 6.129 1.00 0.20 H new ATOM 0 HD2 LYS A 46 5.397 5.116 5.978 1.00 0.22 H new ATOM 0 HD3 LYS A 46 6.768 6.012 6.601 1.00 0.22 H new ATOM 0 HE2 LYS A 46 4.049 5.841 7.943 1.00 0.30 H new ATOM 0 HE3 LYS A 46 5.442 4.869 8.376 1.00 0.30 H new ATOM 0 HZ1 LYS A 46 5.235 6.743 9.842 1.00 0.36 H new ATOM 0 HZ2 LYS A 46 6.647 6.915 8.914 1.00 0.36 H new ATOM 0 HZ3 LYS A 46 5.267 7.832 8.540 1.00 0.36 H new ATOM 641 N LEU A 47 4.474 7.468 1.431 1.00 0.13 N ATOM 642 CA LEU A 47 4.810 7.212 0.043 1.00 0.11 C ATOM 643 C LEU A 47 4.561 8.422 -0.846 1.00 0.12 C ATOM 644 O LEU A 47 4.981 8.437 -2.001 1.00 0.14 O ATOM 645 CB LEU A 47 4.012 6.013 -0.461 1.00 0.09 C ATOM 646 CG LEU A 47 4.534 4.657 -0.001 1.00 0.09 C ATOM 647 CD1 LEU A 47 3.638 3.542 -0.512 1.00 0.10 C ATOM 648 CD2 LEU A 47 5.968 4.456 -0.469 1.00 0.11 C ATOM 0 H LEU A 47 3.626 6.997 1.746 1.00 0.13 H new ATOM 0 HA LEU A 47 5.877 6.996 -0.006 1.00 0.11 H new ATOM 0 HB2 LEU A 47 2.978 6.119 -0.132 1.00 0.09 H new ATOM 0 HB3 LEU A 47 4.004 6.032 -1.551 1.00 0.09 H new ATOM 0 HG LEU A 47 4.523 4.630 1.089 1.00 0.09 H new ATOM 0 HD11 LEU A 47 4.025 2.581 -0.174 1.00 0.10 H new ATOM 0 HD12 LEU A 47 2.628 3.682 -0.127 1.00 0.10 H new ATOM 0 HD13 LEU A 47 3.617 3.562 -1.602 1.00 0.10 H new ATOM 0 HD21 LEU A 47 6.327 3.483 -0.133 1.00 0.11 H new ATOM 0 HD22 LEU A 47 6.005 4.500 -1.557 1.00 0.11 H new ATOM 0 HD23 LEU A 47 6.600 5.240 -0.052 1.00 0.11 H new ATOM 660 N ALA A 48 3.905 9.435 -0.289 1.00 0.12 N ATOM 661 CA ALA A 48 3.554 10.654 -1.022 1.00 0.14 C ATOM 662 C ALA A 48 4.697 11.189 -1.900 1.00 0.15 C ATOM 663 O ALA A 48 4.511 11.368 -3.106 1.00 0.19 O ATOM 664 CB ALA A 48 3.076 11.731 -0.055 1.00 0.16 C ATOM 0 H ALA A 48 3.600 9.437 0.684 1.00 0.12 H new ATOM 0 HA ALA A 48 2.746 10.385 -1.702 1.00 0.14 H new ATOM 0 HB1 ALA A 48 2.818 12.632 -0.612 1.00 0.16 H new ATOM 0 HB2 ALA A 48 2.198 11.373 0.483 1.00 0.16 H new ATOM 0 HB3 ALA A 48 3.869 11.959 0.657 1.00 0.16 H new ATOM 670 N PRO A 49 5.898 11.436 -1.331 1.00 0.15 N ATOM 671 CA PRO A 49 7.025 12.023 -2.068 1.00 0.19 C ATOM 672 C PRO A 49 7.618 11.076 -3.107 1.00 0.21 C ATOM 673 O PRO A 49 8.372 11.490 -3.988 1.00 0.28 O ATOM 674 CB PRO A 49 8.060 12.290 -0.968 1.00 0.21 C ATOM 675 CG PRO A 49 7.287 12.253 0.298 1.00 0.37 C ATOM 676 CD PRO A 49 6.279 11.190 0.065 1.00 0.14 C ATOM 0 HA PRO A 49 6.716 12.905 -2.629 1.00 0.19 H new ATOM 0 HB2 PRO A 49 8.846 11.535 -0.973 1.00 0.21 H new ATOM 0 HB3 PRO A 49 8.545 13.256 -1.107 1.00 0.21 H new ATOM 0 HG2 PRO A 49 7.925 12.019 1.150 1.00 0.37 H new ATOM 0 HG3 PRO A 49 6.815 13.213 0.507 1.00 0.37 H new ATOM 0 HD2 PRO A 49 6.697 10.193 0.205 1.00 0.14 H new ATOM 0 HD3 PRO A 49 5.429 11.277 0.742 1.00 0.14 H new ATOM 684 N TYR A 50 7.283 9.805 -2.990 1.00 0.21 N ATOM 685 CA TYR A 50 7.853 8.773 -3.847 1.00 0.25 C ATOM 686 C TYR A 50 6.878 8.351 -4.933 1.00 0.27 C ATOM 687 O TYR A 50 7.238 7.598 -5.842 1.00 0.33 O ATOM 688 CB TYR A 50 8.226 7.558 -3.010 1.00 0.26 C ATOM 689 CG TYR A 50 9.092 7.891 -1.825 1.00 0.28 C ATOM 690 CD1 TYR A 50 10.445 8.118 -1.994 1.00 0.35 C ATOM 691 CD2 TYR A 50 8.562 7.967 -0.545 1.00 0.26 C ATOM 692 CE1 TYR A 50 11.256 8.414 -0.916 1.00 0.39 C ATOM 693 CE2 TYR A 50 9.363 8.265 0.539 1.00 0.30 C ATOM 694 CZ TYR A 50 10.668 8.526 0.369 1.00 0.36 C ATOM 695 OH TYR A 50 11.512 8.782 1.426 1.00 0.42 O ATOM 0 H TYR A 50 6.613 9.457 -2.304 1.00 0.21 H new ATOM 0 HA TYR A 50 8.741 9.188 -4.324 1.00 0.25 H new ATOM 0 HB2 TYR A 50 7.314 7.074 -2.660 1.00 0.26 H new ATOM 0 HB3 TYR A 50 8.747 6.838 -3.641 1.00 0.26 H new ATOM 0 HD1 TYR A 50 10.874 8.063 -2.984 1.00 0.35 H new ATOM 0 HD2 TYR A 50 7.507 7.790 -0.395 1.00 0.26 H new ATOM 0 HE1 TYR A 50 12.318 8.557 -1.049 1.00 0.39 H new ATOM 0 HE2 TYR A 50 8.936 8.288 1.531 1.00 0.30 H new ATOM 0 HH TYR A 50 10.991 8.838 2.254 1.00 0.42 H new ATOM 705 N MET A 51 5.647 8.823 -4.834 1.00 0.28 N ATOM 706 CA MET A 51 4.619 8.434 -5.783 1.00 0.35 C ATOM 707 C MET A 51 4.841 9.078 -7.131 1.00 0.54 C ATOM 708 O MET A 51 5.172 10.260 -7.236 1.00 0.51 O ATOM 709 CB MET A 51 3.229 8.800 -5.288 1.00 0.29 C ATOM 710 CG MET A 51 2.809 8.073 -4.032 1.00 0.15 C ATOM 711 SD MET A 51 2.605 6.301 -4.240 1.00 0.26 S ATOM 712 CE MET A 51 1.527 6.237 -5.653 1.00 0.25 C ATOM 0 H MET A 51 5.337 9.472 -4.111 1.00 0.28 H new ATOM 0 HA MET A 51 4.688 7.351 -5.883 1.00 0.35 H new ATOM 0 HB2 MET A 51 3.192 9.874 -5.103 1.00 0.29 H new ATOM 0 HB3 MET A 51 2.507 8.588 -6.076 1.00 0.29 H new ATOM 0 HG2 MET A 51 3.553 8.253 -3.256 1.00 0.15 H new ATOM 0 HG3 MET A 51 1.869 8.496 -3.678 1.00 0.15 H new ATOM 0 HE1 MET A 51 0.854 5.385 -5.559 1.00 0.25 H new ATOM 0 HE2 MET A 51 0.943 7.156 -5.707 1.00 0.25 H new ATOM 0 HE3 MET A 51 2.122 6.131 -6.560 1.00 0.25 H new ATOM 722 N SER A 52 4.651 8.280 -8.150 1.00 0.90 N ATOM 723 CA SER A 52 4.714 8.749 -9.528 1.00 1.14 C ATOM 724 C SER A 52 3.300 8.869 -10.077 1.00 0.98 C ATOM 725 O SER A 52 3.043 9.557 -11.065 1.00 1.19 O ATOM 726 CB SER A 52 5.542 7.789 -10.379 1.00 1.43 C ATOM 727 OG SER A 52 6.827 7.596 -9.809 1.00 2.32 O ATOM 0 H SER A 52 4.448 7.285 -8.058 1.00 0.90 H new ATOM 0 HA SER A 52 5.196 9.726 -9.559 1.00 1.14 H new ATOM 0 HB2 SER A 52 5.027 6.832 -10.461 1.00 1.43 H new ATOM 0 HB3 SER A 52 5.642 8.185 -11.390 1.00 1.43 H new ATOM 0 HG SER A 52 7.343 6.977 -10.367 1.00 2.32 H new ATOM 733 N LYS A 53 2.394 8.173 -9.415 1.00 0.79 N ATOM 734 CA LYS A 53 0.986 8.249 -9.677 1.00 0.81 C ATOM 735 C LYS A 53 0.421 9.531 -9.075 1.00 0.98 C ATOM 736 O LYS A 53 1.111 10.194 -8.304 1.00 1.91 O ATOM 737 CB LYS A 53 0.371 6.988 -9.065 1.00 0.99 C ATOM 738 CG LYS A 53 -1.105 7.038 -8.748 1.00 0.82 C ATOM 739 CD LYS A 53 -1.355 7.575 -7.351 1.00 0.69 C ATOM 740 CE LYS A 53 -2.805 7.417 -6.943 1.00 0.86 C ATOM 741 NZ LYS A 53 -3.137 8.202 -5.731 1.00 1.65 N ATOM 0 H LYS A 53 2.633 7.526 -8.663 1.00 0.79 H new ATOM 0 HA LYS A 53 0.758 8.288 -10.742 1.00 0.81 H new ATOM 0 HB2 LYS A 53 0.544 6.158 -9.750 1.00 0.99 H new ATOM 0 HB3 LYS A 53 0.909 6.759 -8.145 1.00 0.99 H new ATOM 0 HG2 LYS A 53 -1.614 7.668 -9.478 1.00 0.82 H new ATOM 0 HG3 LYS A 53 -1.532 6.039 -8.837 1.00 0.82 H new ATOM 0 HD2 LYS A 53 -0.717 7.050 -6.640 1.00 0.69 H new ATOM 0 HD3 LYS A 53 -1.078 8.628 -7.311 1.00 0.69 H new ATOM 0 HE2 LYS A 53 -3.448 7.732 -7.765 1.00 0.86 H new ATOM 0 HE3 LYS A 53 -3.016 6.363 -6.760 1.00 0.86 H new ATOM 0 HZ1 LYS A 53 -4.167 8.200 -5.588 1.00 1.65 H new ATOM 0 HZ2 LYS A 53 -2.671 7.777 -4.904 1.00 1.65 H new ATOM 0 HZ3 LYS A 53 -2.806 9.181 -5.850 1.00 1.65 H new ATOM 755 N ASN A 54 -0.805 9.874 -9.475 1.00 0.79 N ATOM 756 CA ASN A 54 -1.571 10.994 -8.917 1.00 0.77 C ATOM 757 C ASN A 54 -1.356 11.171 -7.433 1.00 0.93 C ATOM 758 O ASN A 54 -2.038 10.571 -6.590 1.00 1.79 O ATOM 759 CB ASN A 54 -3.033 10.756 -9.159 1.00 0.75 C ATOM 760 CG ASN A 54 -3.907 11.936 -8.775 1.00 1.15 C ATOM 761 OD1 ASN A 54 -3.470 13.086 -8.805 1.00 2.06 O ATOM 762 ND2 ASN A 54 -5.152 11.660 -8.424 1.00 1.22 N ATOM 0 H ASN A 54 -1.304 9.373 -10.210 1.00 0.79 H new ATOM 0 HA ASN A 54 -1.223 11.900 -9.414 1.00 0.77 H new ATOM 0 HB2 ASN A 54 -3.187 10.527 -10.214 1.00 0.75 H new ATOM 0 HB3 ASN A 54 -3.349 9.880 -8.593 1.00 0.75 H new ATOM 0 HD21 ASN A 54 -5.788 12.414 -8.165 1.00 1.22 H new ATOM 0 HD22 ASN A 54 -5.476 10.693 -8.412 1.00 1.22 H new ATOM 769 N ALA A 55 -0.400 11.996 -7.147 1.00 0.45 N ATOM 770 CA ALA A 55 -0.007 12.303 -5.798 1.00 0.38 C ATOM 771 C ALA A 55 0.959 13.475 -5.775 1.00 0.49 C ATOM 772 O ALA A 55 1.704 13.694 -6.728 1.00 0.72 O ATOM 773 CB ALA A 55 0.635 11.082 -5.188 1.00 0.31 C ATOM 0 H ALA A 55 0.144 12.488 -7.855 1.00 0.45 H new ATOM 0 HA ALA A 55 -0.887 12.584 -5.219 1.00 0.38 H new ATOM 0 HB1 ALA A 55 0.937 11.303 -4.164 1.00 0.31 H new ATOM 0 HB2 ALA A 55 -0.079 10.258 -5.186 1.00 0.31 H new ATOM 0 HB3 ALA A 55 1.511 10.801 -5.772 1.00 0.31 H new ATOM 779 N LYS A 56 0.936 14.217 -4.680 1.00 0.48 N ATOM 780 CA LYS A 56 1.816 15.358 -4.488 1.00 0.59 C ATOM 781 C LYS A 56 2.326 15.349 -3.055 1.00 0.45 C ATOM 782 O LYS A 56 3.499 15.088 -2.796 1.00 0.50 O ATOM 783 CB LYS A 56 1.080 16.669 -4.779 1.00 0.79 C ATOM 784 CG LYS A 56 0.626 16.837 -6.223 1.00 1.43 C ATOM 785 CD LYS A 56 1.714 17.427 -7.115 1.00 1.46 C ATOM 786 CE LYS A 56 2.807 16.428 -7.461 1.00 1.71 C ATOM 787 NZ LYS A 56 3.693 16.935 -8.542 1.00 2.30 N ATOM 0 H LYS A 56 0.305 14.045 -3.897 1.00 0.48 H new ATOM 0 HA LYS A 56 2.655 15.285 -5.181 1.00 0.59 H new ATOM 0 HB2 LYS A 56 0.208 16.732 -4.128 1.00 0.79 H new ATOM 0 HB3 LYS A 56 1.733 17.502 -4.518 1.00 0.79 H new ATOM 0 HG2 LYS A 56 0.322 15.868 -6.619 1.00 1.43 H new ATOM 0 HG3 LYS A 56 -0.252 17.483 -6.251 1.00 1.43 H new ATOM 0 HD2 LYS A 56 1.261 17.795 -8.036 1.00 1.46 H new ATOM 0 HD3 LYS A 56 2.160 18.286 -6.614 1.00 1.46 H new ATOM 0 HE2 LYS A 56 3.402 16.217 -6.572 1.00 1.71 H new ATOM 0 HE3 LYS A 56 2.354 15.487 -7.773 1.00 1.71 H new ATOM 0 HZ1 LYS A 56 4.426 16.227 -8.751 1.00 2.30 H new ATOM 0 HZ2 LYS A 56 3.130 17.113 -9.398 1.00 2.30 H new ATOM 0 HZ3 LYS A 56 4.144 17.820 -8.234 1.00 2.30 H new ATOM 801 N ASN A 57 1.421 15.617 -2.123 1.00 0.36 N ATOM 802 CA ASN A 57 1.712 15.485 -0.709 1.00 0.26 C ATOM 803 C ASN A 57 0.912 14.336 -0.151 1.00 0.22 C ATOM 804 O ASN A 57 0.319 13.573 -0.910 1.00 0.24 O ATOM 805 CB ASN A 57 1.374 16.767 0.057 1.00 0.31 C ATOM 806 CG ASN A 57 2.269 17.929 -0.321 1.00 0.35 C ATOM 807 OD1 ASN A 57 3.345 18.112 0.250 1.00 1.02 O ATOM 808 ND2 ASN A 57 1.827 18.732 -1.274 1.00 1.32 N ATOM 0 H ASN A 57 0.472 15.930 -2.328 1.00 0.36 H new ATOM 0 HA ASN A 57 2.780 15.299 -0.591 1.00 0.26 H new ATOM 0 HB2 ASN A 57 0.335 17.037 -0.135 1.00 0.31 H new ATOM 0 HB3 ASN A 57 1.462 16.579 1.127 1.00 0.31 H new ATOM 0 HD21 ASN A 57 2.383 19.538 -1.561 1.00 1.32 H new ATOM 0 HD22 ASN A 57 0.930 18.546 -1.722 1.00 1.32 H new ATOM 815 N GLU A 58 0.886 14.215 1.162 1.00 0.23 N ATOM 816 CA GLU A 58 0.129 13.158 1.812 1.00 0.23 C ATOM 817 C GLU A 58 -1.353 13.284 1.468 1.00 0.30 C ATOM 818 O GLU A 58 -2.020 12.299 1.146 1.00 0.36 O ATOM 819 CB GLU A 58 0.361 13.206 3.319 1.00 0.27 C ATOM 820 CG GLU A 58 -0.904 13.354 4.125 1.00 0.36 C ATOM 821 CD GLU A 58 -0.648 13.421 5.613 1.00 0.46 C ATOM 822 OE1 GLU A 58 -0.752 14.520 6.189 1.00 0.68 O ATOM 823 OE2 GLU A 58 -0.345 12.369 6.216 1.00 0.59 O ATOM 0 H GLU A 58 1.381 14.836 1.802 1.00 0.23 H new ATOM 0 HA GLU A 58 0.472 12.189 1.449 1.00 0.23 H new ATOM 0 HB2 GLU A 58 0.873 12.294 3.628 1.00 0.27 H new ATOM 0 HB3 GLU A 58 1.026 14.038 3.548 1.00 0.27 H new ATOM 0 HG2 GLU A 58 -1.426 14.258 3.810 1.00 0.36 H new ATOM 0 HG3 GLU A 58 -1.565 12.514 3.912 1.00 0.36 H new ATOM 830 N ASP A 59 -1.840 14.513 1.505 1.00 0.37 N ATOM 831 CA ASP A 59 -3.211 14.816 1.129 1.00 0.48 C ATOM 832 C ASP A 59 -3.417 14.544 -0.356 1.00 0.41 C ATOM 833 O ASP A 59 -4.515 14.219 -0.807 1.00 0.50 O ATOM 834 CB ASP A 59 -3.514 16.277 1.458 1.00 0.63 C ATOM 835 CG ASP A 59 -4.862 16.735 0.944 1.00 0.65 C ATOM 836 OD1 ASP A 59 -5.887 16.424 1.587 1.00 0.90 O ATOM 837 OD2 ASP A 59 -4.907 17.411 -0.105 1.00 0.55 O ATOM 0 H ASP A 59 -1.298 15.327 1.796 1.00 0.37 H new ATOM 0 HA ASP A 59 -3.894 14.178 1.690 1.00 0.48 H new ATOM 0 HB2 ASP A 59 -3.478 16.415 2.539 1.00 0.63 H new ATOM 0 HB3 ASP A 59 -2.735 16.908 1.030 1.00 0.63 H new ATOM 842 N GLY A 60 -2.330 14.654 -1.104 1.00 0.35 N ATOM 843 CA GLY A 60 -2.371 14.420 -2.529 1.00 0.41 C ATOM 844 C GLY A 60 -2.415 12.948 -2.883 1.00 0.43 C ATOM 845 O GLY A 60 -3.111 12.548 -3.810 1.00 0.83 O ATOM 0 H GLY A 60 -1.410 14.905 -0.742 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -3.246 14.916 -2.949 1.00 0.41 H new ATOM 0 HA3 GLY A 60 -1.495 14.874 -2.992 1.00 0.41 H new ATOM 849 N ILE A 61 -1.668 12.138 -2.151 1.00 0.25 N ATOM 850 CA ILE A 61 -1.567 10.731 -2.444 1.00 0.20 C ATOM 851 C ILE A 61 -2.750 9.949 -1.906 1.00 0.15 C ATOM 852 O ILE A 61 -3.507 9.341 -2.666 1.00 0.17 O ATOM 853 CB ILE A 61 -0.244 10.154 -1.882 1.00 0.21 C ATOM 854 CG1 ILE A 61 -0.211 8.645 -2.005 1.00 0.19 C ATOM 855 CG2 ILE A 61 -0.017 10.552 -0.434 1.00 0.23 C ATOM 856 CD1 ILE A 61 -0.635 8.138 -3.364 1.00 0.20 C ATOM 0 H ILE A 61 -1.121 12.441 -1.345 1.00 0.25 H new ATOM 0 HA ILE A 61 -1.572 10.627 -3.529 1.00 0.20 H new ATOM 0 HB ILE A 61 0.560 10.580 -2.482 1.00 0.21 H new ATOM 0 HG12 ILE A 61 0.799 8.294 -1.795 1.00 0.19 H new ATOM 0 HG13 ILE A 61 -0.863 8.213 -1.246 1.00 0.19 H new ATOM 0 HG21 ILE A 61 0.922 10.125 -0.082 1.00 0.23 H new ATOM 0 HG22 ILE A 61 0.027 11.638 -0.358 1.00 0.23 H new ATOM 0 HG23 ILE A 61 -0.837 10.179 0.179 1.00 0.23 H new ATOM 0 HD11 ILE A 61 -0.586 7.049 -3.378 1.00 0.20 H new ATOM 0 HD12 ILE A 61 -1.656 8.458 -3.569 1.00 0.20 H new ATOM 0 HD13 ILE A 61 0.032 8.540 -4.127 1.00 0.20 H new ATOM 868 N VAL A 62 -2.906 10.002 -0.611 1.00 0.14 N ATOM 869 CA VAL A 62 -3.810 9.123 0.098 1.00 0.13 C ATOM 870 C VAL A 62 -5.249 9.367 -0.310 1.00 0.19 C ATOM 871 O VAL A 62 -5.991 8.430 -0.581 1.00 0.24 O ATOM 872 CB VAL A 62 -3.629 9.305 1.611 1.00 0.14 C ATOM 873 CG1 VAL A 62 -4.563 8.421 2.399 1.00 0.20 C ATOM 874 CG2 VAL A 62 -2.204 9.003 1.987 1.00 0.12 C ATOM 0 H VAL A 62 -2.408 10.659 -0.010 1.00 0.14 H new ATOM 0 HA VAL A 62 -3.570 8.093 -0.165 1.00 0.13 H new ATOM 0 HB VAL A 62 -3.869 10.340 1.855 1.00 0.14 H new ATOM 0 HG11 VAL A 62 -4.402 8.581 3.465 1.00 0.20 H new ATOM 0 HG12 VAL A 62 -5.595 8.666 2.147 1.00 0.20 H new ATOM 0 HG13 VAL A 62 -4.368 7.377 2.155 1.00 0.20 H new ATOM 0 HG21 VAL A 62 -2.076 9.132 3.062 1.00 0.12 H new ATOM 0 HG22 VAL A 62 -1.966 7.975 1.714 1.00 0.12 H new ATOM 0 HG23 VAL A 62 -1.536 9.683 1.458 1.00 0.12 H new ATOM 884 N ASN A 63 -5.614 10.631 -0.402 1.00 0.23 N ATOM 885 CA ASN A 63 -6.968 11.009 -0.799 1.00 0.28 C ATOM 886 C ASN A 63 -7.286 10.513 -2.207 1.00 0.26 C ATOM 887 O ASN A 63 -8.427 10.171 -2.514 1.00 0.32 O ATOM 888 CB ASN A 63 -7.145 12.527 -0.719 1.00 0.39 C ATOM 889 CG ASN A 63 -8.482 12.996 -1.269 1.00 0.56 C ATOM 890 OD1 ASN A 63 -9.501 12.954 -0.580 1.00 1.17 O ATOM 891 ND2 ASN A 63 -8.485 13.469 -2.505 1.00 1.20 N ATOM 0 H ASN A 63 -4.996 11.419 -0.208 1.00 0.23 H new ATOM 0 HA ASN A 63 -7.665 10.537 -0.107 1.00 0.28 H new ATOM 0 HB2 ASN A 63 -7.054 12.844 0.320 1.00 0.39 H new ATOM 0 HB3 ASN A 63 -6.340 13.011 -1.272 1.00 0.39 H new ATOM 0 HD21 ASN A 63 -9.352 13.815 -2.917 1.00 1.20 H new ATOM 0 HD22 ASN A 63 -7.620 13.488 -3.046 1.00 1.20 H new ATOM 898 N SER A 64 -6.268 10.463 -3.053 1.00 0.25 N ATOM 899 CA SER A 64 -6.438 10.012 -4.429 1.00 0.30 C ATOM 900 C SER A 64 -6.421 8.485 -4.513 1.00 0.28 C ATOM 901 O SER A 64 -6.791 7.905 -5.529 1.00 0.39 O ATOM 902 CB SER A 64 -5.336 10.599 -5.312 1.00 0.38 C ATOM 903 OG SER A 64 -5.260 12.006 -5.152 1.00 1.17 O ATOM 0 H SER A 64 -5.313 10.729 -2.812 1.00 0.25 H new ATOM 0 HA SER A 64 -7.407 10.361 -4.785 1.00 0.30 H new ATOM 0 HB2 SER A 64 -4.378 10.147 -5.055 1.00 0.38 H new ATOM 0 HB3 SER A 64 -5.533 10.357 -6.356 1.00 0.38 H new ATOM 0 HG SER A 64 -4.703 12.217 -4.374 1.00 1.17 H new ATOM 909 N LEU A 65 -5.976 7.848 -3.444 1.00 0.21 N ATOM 910 CA LEU A 65 -5.918 6.395 -3.374 1.00 0.20 C ATOM 911 C LEU A 65 -7.214 5.796 -2.858 1.00 0.20 C ATOM 912 O LEU A 65 -8.044 6.492 -2.272 1.00 0.22 O ATOM 913 CB LEU A 65 -4.785 5.954 -2.467 1.00 0.21 C ATOM 914 CG LEU A 65 -3.399 6.170 -3.021 1.00 0.30 C ATOM 915 CD1 LEU A 65 -2.372 5.858 -1.963 1.00 0.18 C ATOM 916 CD2 LEU A 65 -3.187 5.292 -4.228 1.00 0.71 C ATOM 0 H LEU A 65 -5.645 8.319 -2.602 1.00 0.21 H new ATOM 0 HA LEU A 65 -5.751 6.038 -4.390 1.00 0.20 H new ATOM 0 HB2 LEU A 65 -4.869 6.489 -1.521 1.00 0.21 H new ATOM 0 HB3 LEU A 65 -4.910 4.894 -2.246 1.00 0.21 H new ATOM 0 HG LEU A 65 -3.291 7.212 -3.321 1.00 0.30 H new ATOM 0 HD11 LEU A 65 -1.373 6.016 -2.368 1.00 0.18 H new ATOM 0 HD12 LEU A 65 -2.523 6.513 -1.105 1.00 0.18 H new ATOM 0 HD13 LEU A 65 -2.477 4.819 -1.649 1.00 0.18 H new ATOM 0 HD21 LEU A 65 -2.184 5.453 -4.623 1.00 0.71 H new ATOM 0 HD22 LEU A 65 -3.301 4.246 -3.942 1.00 0.71 H new ATOM 0 HD23 LEU A 65 -3.923 5.541 -4.993 1.00 0.71 H new ATOM 928 N ALA A 66 -7.384 4.500 -3.121 1.00 0.21 N ATOM 929 CA ALA A 66 -8.525 3.750 -2.619 1.00 0.21 C ATOM 930 C ALA A 66 -8.702 3.945 -1.133 1.00 0.17 C ATOM 931 O ALA A 66 -7.737 3.941 -0.366 1.00 0.15 O ATOM 932 CB ALA A 66 -8.382 2.261 -2.908 1.00 0.23 C ATOM 0 H ALA A 66 -6.737 3.948 -3.684 1.00 0.21 H new ATOM 0 HA ALA A 66 -9.403 4.134 -3.138 1.00 0.21 H new ATOM 0 HB1 ALA A 66 -9.251 1.730 -2.520 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -8.312 2.104 -3.984 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -7.480 1.882 -2.427 1.00 0.23 H new ATOM 938 N LYS A 67 -9.944 4.101 -0.742 1.00 0.21 N ATOM 939 CA LYS A 67 -10.286 4.316 0.641 1.00 0.22 C ATOM 940 C LYS A 67 -11.042 3.128 1.191 1.00 0.29 C ATOM 941 O LYS A 67 -11.872 2.534 0.500 1.00 0.38 O ATOM 942 CB LYS A 67 -11.119 5.588 0.792 1.00 0.26 C ATOM 943 CG LYS A 67 -10.372 6.858 0.413 1.00 0.26 C ATOM 944 CD LYS A 67 -8.955 6.838 0.956 1.00 0.35 C ATOM 945 CE LYS A 67 -8.373 8.233 1.109 1.00 0.45 C ATOM 946 NZ LYS A 67 -9.166 9.068 2.052 1.00 0.20 N ATOM 0 H LYS A 67 -10.744 4.082 -1.374 1.00 0.21 H new ATOM 0 HA LYS A 67 -9.363 4.433 1.209 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -12.011 5.503 0.171 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -11.456 5.670 1.825 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -10.348 6.960 -0.672 1.00 0.26 H new ATOM 0 HG3 LYS A 67 -10.903 7.726 0.803 1.00 0.26 H new ATOM 0 HD2 LYS A 67 -8.947 6.336 1.923 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -8.321 6.254 0.288 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -7.346 8.160 1.466 1.00 0.45 H new ATOM 0 HE3 LYS A 67 -8.338 8.720 0.135 1.00 0.45 H new ATOM 0 HZ1 LYS A 67 -8.554 9.798 2.468 1.00 0.20 H new ATOM 0 HZ2 LYS A 67 -9.948 9.523 1.539 1.00 0.20 H new ATOM 0 HZ3 LYS A 67 -9.551 8.467 2.808 1.00 0.20 H new ATOM 960 N ASP A 68 -10.740 2.776 2.423 1.00 0.30 N ATOM 961 CA ASP A 68 -11.422 1.684 3.087 1.00 0.42 C ATOM 962 C ASP A 68 -12.689 2.233 3.742 1.00 0.49 C ATOM 963 O ASP A 68 -12.843 3.450 3.862 1.00 0.64 O ATOM 964 CB ASP A 68 -10.504 1.023 4.124 1.00 0.50 C ATOM 965 CG ASP A 68 -10.775 1.486 5.534 1.00 1.21 C ATOM 966 OD1 ASP A 68 -11.540 0.794 6.230 1.00 1.35 O ATOM 967 OD2 ASP A 68 -10.227 2.521 5.952 1.00 2.24 O ATOM 0 H ASP A 68 -10.023 3.232 2.987 1.00 0.30 H new ATOM 0 HA ASP A 68 -11.692 0.917 2.361 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -10.628 -0.059 4.073 1.00 0.50 H new ATOM 0 HB3 ASP A 68 -9.466 1.237 3.871 1.00 0.50 H new ATOM 972 N LYS A 69 -13.599 1.362 4.145 1.00 0.58 N ATOM 973 CA LYS A 69 -14.879 1.815 4.670 1.00 0.74 C ATOM 974 C LYS A 69 -14.820 2.128 6.168 1.00 0.70 C ATOM 975 O LYS A 69 -15.295 3.176 6.609 1.00 0.84 O ATOM 976 CB LYS A 69 -15.959 0.774 4.403 1.00 0.94 C ATOM 977 CG LYS A 69 -17.369 1.249 4.737 1.00 0.98 C ATOM 978 CD LYS A 69 -17.854 2.332 3.780 1.00 1.81 C ATOM 979 CE LYS A 69 -17.956 1.816 2.350 1.00 2.24 C ATOM 980 NZ LYS A 69 -18.572 2.813 1.437 1.00 3.13 N ATOM 0 H LYS A 69 -13.479 0.349 4.120 1.00 0.58 H new ATOM 0 HA LYS A 69 -15.124 2.742 4.151 1.00 0.74 H new ATOM 0 HB2 LYS A 69 -15.922 0.487 3.352 1.00 0.94 H new ATOM 0 HB3 LYS A 69 -15.740 -0.121 4.986 1.00 0.94 H new ATOM 0 HG2 LYS A 69 -18.054 0.402 4.701 1.00 0.98 H new ATOM 0 HG3 LYS A 69 -17.389 1.632 5.757 1.00 0.98 H new ATOM 0 HD2 LYS A 69 -18.828 2.696 4.106 1.00 1.81 H new ATOM 0 HD3 LYS A 69 -17.170 3.180 3.813 1.00 1.81 H new ATOM 0 HE2 LYS A 69 -16.961 1.559 1.986 1.00 2.24 H new ATOM 0 HE3 LYS A 69 -18.547 0.900 2.337 1.00 2.24 H new ATOM 0 HZ1 LYS A 69 -18.621 2.419 0.476 1.00 3.13 H new ATOM 0 HZ2 LYS A 69 -19.531 3.040 1.768 1.00 3.13 H new ATOM 0 HZ3 LYS A 69 -17.995 3.678 1.428 1.00 3.13 H new ATOM 994 N SER A 70 -14.223 1.232 6.940 1.00 0.59 N ATOM 995 CA SER A 70 -14.389 1.258 8.389 1.00 0.65 C ATOM 996 C SER A 70 -13.170 1.813 9.126 1.00 0.70 C ATOM 997 O SER A 70 -13.306 2.490 10.145 1.00 0.87 O ATOM 998 CB SER A 70 -14.693 -0.152 8.890 1.00 0.65 C ATOM 999 OG SER A 70 -15.847 -0.683 8.255 1.00 1.13 O ATOM 0 H SER A 70 -13.624 0.483 6.593 1.00 0.59 H new ATOM 0 HA SER A 70 -15.219 1.932 8.602 1.00 0.65 H new ATOM 0 HB2 SER A 70 -13.838 -0.801 8.699 1.00 0.65 H new ATOM 0 HB3 SER A 70 -14.844 -0.133 9.969 1.00 0.65 H new ATOM 0 HG SER A 70 -16.019 -1.587 8.592 1.00 1.13 H new ATOM 1005 N GLY A 71 -11.984 1.526 8.611 1.00 0.62 N ATOM 1006 CA GLY A 71 -10.761 1.870 9.307 1.00 0.73 C ATOM 1007 C GLY A 71 -10.490 0.932 10.467 1.00 0.69 C ATOM 1008 O GLY A 71 -9.531 1.112 11.216 1.00 0.76 O ATOM 0 H GLY A 71 -11.846 1.057 7.716 1.00 0.62 H new ATOM 0 HA2 GLY A 71 -9.924 1.836 8.609 1.00 0.73 H new ATOM 0 HA3 GLY A 71 -10.828 2.894 9.675 1.00 0.73 H new ATOM 1012 N ASN A 72 -11.328 -0.094 10.583 1.00 0.63 N ATOM 1013 CA ASN A 72 -11.306 -1.007 11.726 1.00 0.68 C ATOM 1014 C ASN A 72 -9.984 -1.766 11.816 1.00 0.62 C ATOM 1015 O ASN A 72 -9.503 -2.069 12.907 1.00 0.61 O ATOM 1016 CB ASN A 72 -12.464 -2.006 11.627 1.00 0.86 C ATOM 1017 CG ASN A 72 -12.584 -2.882 12.862 1.00 1.31 C ATOM 1018 OD1 ASN A 72 -12.291 -2.448 13.974 1.00 2.16 O ATOM 1019 ND2 ASN A 72 -13.011 -4.121 12.674 1.00 1.67 N ATOM 0 H ASN A 72 -12.041 -0.317 9.889 1.00 0.63 H new ATOM 0 HA ASN A 72 -11.415 -0.405 12.628 1.00 0.68 H new ATOM 0 HB2 ASN A 72 -13.397 -1.462 11.479 1.00 0.86 H new ATOM 0 HB3 ASN A 72 -12.321 -2.637 10.750 1.00 0.86 H new ATOM 0 HD21 ASN A 72 -13.107 -4.753 13.468 1.00 1.67 H new ATOM 0 HD22 ASN A 72 -13.244 -4.443 11.735 1.00 1.67 H new ATOM 1026 N SER A 73 -9.388 -2.050 10.666 1.00 0.68 N ATOM 1027 CA SER A 73 -8.184 -2.869 10.617 1.00 0.70 C ATOM 1028 C SER A 73 -6.941 -2.055 10.971 1.00 0.61 C ATOM 1029 O SER A 73 -5.856 -2.616 11.118 1.00 0.64 O ATOM 1030 CB SER A 73 -8.029 -3.496 9.227 1.00 0.92 C ATOM 1031 OG SER A 73 -6.935 -4.398 9.183 1.00 1.74 O ATOM 0 H SER A 73 -9.717 -1.726 9.756 1.00 0.68 H new ATOM 0 HA SER A 73 -8.286 -3.662 11.358 1.00 0.70 H new ATOM 0 HB2 SER A 73 -8.946 -4.021 8.959 1.00 0.92 H new ATOM 0 HB3 SER A 73 -7.884 -2.710 8.486 1.00 0.92 H new ATOM 0 HG SER A 73 -6.206 -4.055 9.741 1.00 1.74 H new ATOM 1037 N SER A 74 -7.115 -0.738 11.117 1.00 0.56 N ATOM 1038 CA SER A 74 -6.008 0.172 11.404 1.00 0.56 C ATOM 1039 C SER A 74 -4.934 0.054 10.319 1.00 0.57 C ATOM 1040 O SER A 74 -3.936 -0.644 10.483 1.00 1.03 O ATOM 1041 CB SER A 74 -5.421 -0.115 12.795 1.00 0.67 C ATOM 1042 OG SER A 74 -4.495 0.886 13.186 1.00 1.30 O ATOM 0 H SER A 74 -8.022 -0.277 11.040 1.00 0.56 H new ATOM 0 HA SER A 74 -6.384 1.195 11.404 1.00 0.56 H new ATOM 0 HB2 SER A 74 -6.227 -0.172 13.526 1.00 0.67 H new ATOM 0 HB3 SER A 74 -4.927 -1.087 12.789 1.00 0.67 H new ATOM 0 HG SER A 74 -4.141 0.675 14.075 1.00 1.30 H new ATOM 1048 N THR A 75 -5.153 0.746 9.208 1.00 0.33 N ATOM 1049 CA THR A 75 -4.297 0.615 8.036 1.00 0.26 C ATOM 1050 C THR A 75 -3.193 1.671 8.022 1.00 0.25 C ATOM 1051 O THR A 75 -2.367 1.692 7.107 1.00 0.24 O ATOM 1052 CB THR A 75 -5.130 0.722 6.742 1.00 0.25 C ATOM 1053 OG1 THR A 75 -4.327 0.398 5.599 1.00 0.32 O ATOM 1054 CG2 THR A 75 -5.693 2.125 6.586 1.00 0.28 C ATOM 0 H THR A 75 -5.921 1.407 9.094 1.00 0.33 H new ATOM 0 HA THR A 75 -3.829 -0.368 8.087 1.00 0.26 H new ATOM 0 HB THR A 75 -5.955 0.012 6.811 1.00 0.25 H new ATOM 0 HG1 THR A 75 -3.629 1.076 5.487 1.00 0.32 H new ATOM 0 HG21 THR A 75 -6.278 2.182 5.668 1.00 0.28 H new ATOM 0 HG22 THR A 75 -6.332 2.358 7.438 1.00 0.28 H new ATOM 0 HG23 THR A 75 -4.874 2.843 6.540 1.00 0.28 H new ATOM 1062 N SER A 76 -3.199 2.549 9.026 1.00 0.27 N ATOM 1063 CA SER A 76 -2.201 3.616 9.161 1.00 0.29 C ATOM 1064 C SER A 76 -2.391 4.716 8.109 1.00 0.24 C ATOM 1065 O SER A 76 -2.250 5.900 8.415 1.00 0.29 O ATOM 1066 CB SER A 76 -0.781 3.048 9.084 1.00 0.35 C ATOM 1067 OG SER A 76 -0.603 1.997 10.020 1.00 0.94 O ATOM 0 H SER A 76 -3.896 2.542 9.771 1.00 0.27 H new ATOM 0 HA SER A 76 -2.347 4.067 10.142 1.00 0.29 H new ATOM 0 HB2 SER A 76 -0.587 2.680 8.077 1.00 0.35 H new ATOM 0 HB3 SER A 76 -0.058 3.840 9.279 1.00 0.35 H new ATOM 0 HG SER A 76 0.190 1.475 9.779 1.00 0.94 H new ATOM 1073 N ALA A 77 -2.700 4.326 6.875 1.00 0.17 N ATOM 1074 CA ALA A 77 -2.969 5.293 5.820 1.00 0.15 C ATOM 1075 C ALA A 77 -4.326 5.929 6.032 1.00 0.16 C ATOM 1076 O ALA A 77 -5.338 5.234 6.083 1.00 0.24 O ATOM 1077 CB ALA A 77 -2.916 4.650 4.450 1.00 0.14 C ATOM 0 H ALA A 77 -2.770 3.351 6.584 1.00 0.17 H new ATOM 0 HA ALA A 77 -2.194 6.058 5.866 1.00 0.15 H new ATOM 0 HB1 ALA A 77 -3.122 5.401 3.687 1.00 0.14 H new ATOM 0 HB2 ALA A 77 -1.925 4.227 4.285 1.00 0.14 H new ATOM 0 HB3 ALA A 77 -3.663 3.859 4.390 1.00 0.14 H new ATOM 1083 N PRO A 78 -4.356 7.255 6.165 1.00 0.15 N ATOM 1084 CA PRO A 78 -5.588 7.994 6.465 1.00 0.16 C ATOM 1085 C PRO A 78 -6.743 7.652 5.517 1.00 0.16 C ATOM 1086 O PRO A 78 -6.768 8.064 4.358 1.00 0.17 O ATOM 1087 CB PRO A 78 -5.147 9.443 6.279 1.00 0.19 C ATOM 1088 CG PRO A 78 -3.703 9.435 6.609 1.00 0.20 C ATOM 1089 CD PRO A 78 -3.188 8.146 6.054 1.00 0.17 C ATOM 0 HA PRO A 78 -5.981 7.761 7.455 1.00 0.16 H new ATOM 0 HB2 PRO A 78 -5.319 9.783 5.258 1.00 0.19 H new ATOM 0 HB3 PRO A 78 -5.701 10.114 6.936 1.00 0.19 H new ATOM 0 HG2 PRO A 78 -3.192 10.289 6.164 1.00 0.20 H new ATOM 0 HG3 PRO A 78 -3.544 9.493 7.686 1.00 0.20 H new ATOM 0 HD2 PRO A 78 -2.858 8.253 5.021 1.00 0.17 H new ATOM 0 HD3 PRO A 78 -2.337 7.771 6.623 1.00 0.17 H new ATOM 1097 N GLY A 79 -7.713 6.916 6.045 1.00 0.18 N ATOM 1098 CA GLY A 79 -8.898 6.539 5.290 1.00 0.22 C ATOM 1099 C GLY A 79 -8.634 5.582 4.129 1.00 0.17 C ATOM 1100 O GLY A 79 -9.572 5.145 3.468 1.00 0.20 O ATOM 0 H GLY A 79 -7.700 6.566 7.003 1.00 0.18 H new ATOM 0 HA2 GLY A 79 -9.614 6.076 5.969 1.00 0.22 H new ATOM 0 HA3 GLY A 79 -9.367 7.442 4.900 1.00 0.22 H new ATOM 1104 N SER A 80 -7.378 5.241 3.885 1.00 0.17 N ATOM 1105 CA SER A 80 -6.998 4.519 2.675 1.00 0.14 C ATOM 1106 C SER A 80 -6.930 3.018 2.865 1.00 0.21 C ATOM 1107 O SER A 80 -6.894 2.508 3.973 1.00 0.49 O ATOM 1108 CB SER A 80 -5.661 5.030 2.187 1.00 0.18 C ATOM 1109 OG SER A 80 -5.809 5.818 1.019 1.00 0.58 O ATOM 0 H SER A 80 -6.600 5.452 4.510 1.00 0.17 H new ATOM 0 HA SER A 80 -7.779 4.704 1.937 1.00 0.14 H new ATOM 0 HB2 SER A 80 -5.187 5.622 2.970 1.00 0.18 H new ATOM 0 HB3 SER A 80 -5.001 4.188 1.980 1.00 0.18 H new ATOM 0 HG SER A 80 -6.373 5.343 0.373 1.00 0.58 H new ATOM 1115 N ALA A 81 -6.931 2.326 1.740 1.00 0.14 N ATOM 1116 CA ALA A 81 -6.878 0.889 1.711 1.00 0.17 C ATOM 1117 C ALA A 81 -5.476 0.372 1.390 1.00 0.17 C ATOM 1118 O ALA A 81 -5.309 -0.464 0.501 1.00 0.21 O ATOM 1119 CB ALA A 81 -7.877 0.391 0.684 1.00 0.21 C ATOM 0 H ALA A 81 -6.969 2.757 0.816 1.00 0.14 H new ATOM 0 HA ALA A 81 -7.131 0.509 2.701 1.00 0.17 H new ATOM 0 HB1 ALA A 81 -7.850 -0.698 0.649 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -8.878 0.721 0.961 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -7.621 0.792 -0.297 1.00 0.21 H new ATOM 1125 N HIS A 82 -4.462 0.880 2.084 1.00 0.18 N ATOM 1126 CA HIS A 82 -3.109 0.357 1.928 1.00 0.19 C ATOM 1127 C HIS A 82 -2.288 0.455 3.213 1.00 0.19 C ATOM 1128 O HIS A 82 -2.175 1.521 3.815 1.00 0.19 O ATOM 1129 CB HIS A 82 -2.365 1.065 0.792 1.00 0.19 C ATOM 1130 CG HIS A 82 -2.503 0.435 -0.552 1.00 0.45 C ATOM 1131 ND1 HIS A 82 -1.788 -0.675 -0.939 1.00 0.66 N ATOM 1132 CD2 HIS A 82 -3.258 0.789 -1.622 1.00 0.65 C ATOM 1133 CE1 HIS A 82 -2.093 -0.978 -2.186 1.00 0.88 C ATOM 1134 NE2 HIS A 82 -2.984 -0.108 -2.625 1.00 0.88 N ATOM 0 H HIS A 82 -4.549 1.645 2.753 1.00 0.18 H new ATOM 0 HA HIS A 82 -3.223 -0.699 1.682 1.00 0.19 H new ATOM 0 HB2 HIS A 82 -2.722 2.093 0.731 1.00 0.19 H new ATOM 0 HB3 HIS A 82 -1.306 1.110 1.046 1.00 0.19 H new ATOM 0 HD1 HIS A 82 -1.126 -1.184 -0.353 1.00 0.66 H new ATOM 0 HD2 HIS A 82 -3.945 1.620 -1.675 1.00 0.65 H new ATOM 0 HE1 HIS A 82 -1.683 -1.800 -2.753 1.00 0.88 H new ATOM 1143 N GLN A 83 -1.712 -0.678 3.605 1.00 0.22 N ATOM 1144 CA GLN A 83 -0.763 -0.751 4.714 1.00 0.25 C ATOM 1145 C GLN A 83 0.281 -1.807 4.399 1.00 0.22 C ATOM 1146 O GLN A 83 -0.053 -2.962 4.164 1.00 0.20 O ATOM 1147 CB GLN A 83 -1.462 -1.099 6.031 1.00 0.34 C ATOM 1148 CG GLN A 83 -0.493 -1.390 7.170 1.00 0.74 C ATOM 1149 CD GLN A 83 -1.196 -1.741 8.465 1.00 1.25 C ATOM 1150 OE1 GLN A 83 -1.519 -2.904 8.717 1.00 1.78 O ATOM 1151 NE2 GLN A 83 -1.407 -0.746 9.310 1.00 2.09 N ATOM 0 H GLN A 83 -1.891 -1.578 3.160 1.00 0.22 H new ATOM 0 HA GLN A 83 -0.295 0.226 4.833 1.00 0.25 H new ATOM 0 HB2 GLN A 83 -2.112 -0.273 6.319 1.00 0.34 H new ATOM 0 HB3 GLN A 83 -2.101 -1.968 5.876 1.00 0.34 H new ATOM 0 HG2 GLN A 83 0.161 -2.213 6.883 1.00 0.74 H new ATOM 0 HG3 GLN A 83 0.142 -0.519 7.332 1.00 0.74 H new ATOM 0 HE21 GLN A 83 -1.124 0.202 9.062 1.00 2.09 H new ATOM 0 HE22 GLN A 83 -1.853 -0.927 10.210 1.00 2.09 H new ATOM 1160 N ILE A 84 1.534 -1.414 4.386 1.00 0.23 N ATOM 1161 CA ILE A 84 2.601 -2.294 3.986 1.00 0.21 C ATOM 1162 C ILE A 84 3.183 -3.077 5.156 1.00 0.25 C ATOM 1163 O ILE A 84 3.293 -2.568 6.272 1.00 0.29 O ATOM 1164 CB ILE A 84 3.670 -1.461 3.282 1.00 0.24 C ATOM 1165 CG1 ILE A 84 3.182 -1.196 1.867 1.00 0.21 C ATOM 1166 CG2 ILE A 84 5.037 -2.134 3.300 1.00 0.29 C ATOM 1167 CD1 ILE A 84 2.929 0.261 1.566 1.00 0.20 C ATOM 0 H ILE A 84 1.839 -0.478 4.652 1.00 0.23 H new ATOM 0 HA ILE A 84 2.203 -3.044 3.303 1.00 0.21 H new ATOM 0 HB ILE A 84 3.814 -0.520 3.813 1.00 0.24 H new ATOM 0 HG12 ILE A 84 3.920 -1.579 1.162 1.00 0.21 H new ATOM 0 HG13 ILE A 84 2.262 -1.756 1.701 1.00 0.21 H new ATOM 0 HG21 ILE A 84 5.761 -1.501 2.787 1.00 0.29 H new ATOM 0 HG22 ILE A 84 5.354 -2.286 4.332 1.00 0.29 H new ATOM 0 HG23 ILE A 84 4.975 -3.098 2.794 1.00 0.29 H new ATOM 0 HD11 ILE A 84 2.584 0.365 0.537 1.00 0.20 H new ATOM 0 HD12 ILE A 84 2.168 0.646 2.245 1.00 0.20 H new ATOM 0 HD13 ILE A 84 3.852 0.825 1.698 1.00 0.20 H new ATOM 1179 N ASP A 85 3.547 -4.323 4.882 1.00 0.28 N ATOM 1180 CA ASP A 85 4.110 -5.210 5.886 1.00 0.32 C ATOM 1181 C ASP A 85 5.611 -5.261 5.740 1.00 0.38 C ATOM 1182 O ASP A 85 6.122 -5.797 4.766 1.00 0.37 O ATOM 1183 CB ASP A 85 3.557 -6.624 5.718 1.00 0.27 C ATOM 1184 CG ASP A 85 3.826 -7.502 6.923 1.00 0.36 C ATOM 1185 OD1 ASP A 85 3.019 -7.474 7.881 1.00 0.46 O ATOM 1186 OD2 ASP A 85 4.831 -8.246 6.906 1.00 0.54 O ATOM 0 H ASP A 85 3.459 -4.745 3.958 1.00 0.28 H new ATOM 0 HA ASP A 85 3.841 -4.827 6.870 1.00 0.32 H new ATOM 0 HB2 ASP A 85 2.482 -6.571 5.544 1.00 0.27 H new ATOM 0 HB3 ASP A 85 4.001 -7.081 4.834 1.00 0.27 H new ATOM 1191 N THR A 86 6.322 -4.723 6.702 1.00 0.49 N ATOM 1192 CA THR A 86 7.758 -4.687 6.617 1.00 0.58 C ATOM 1193 C THR A 86 8.369 -5.976 7.141 1.00 0.57 C ATOM 1194 O THR A 86 9.503 -6.314 6.804 1.00 0.63 O ATOM 1195 CB THR A 86 8.313 -3.479 7.367 1.00 0.75 C ATOM 1196 OG1 THR A 86 7.781 -3.423 8.696 1.00 0.81 O ATOM 1197 CG2 THR A 86 7.954 -2.220 6.613 1.00 0.82 C ATOM 0 H THR A 86 5.930 -4.307 7.547 1.00 0.49 H new ATOM 0 HA THR A 86 8.031 -4.591 5.566 1.00 0.58 H new ATOM 0 HB THR A 86 9.397 -3.569 7.437 1.00 0.75 H new ATOM 0 HG1 THR A 86 8.149 -2.644 9.163 1.00 0.81 H new ATOM 0 HG21 THR A 86 8.348 -1.353 7.144 1.00 0.82 H new ATOM 0 HG22 THR A 86 8.385 -2.260 5.613 1.00 0.82 H new ATOM 0 HG23 THR A 86 6.870 -2.138 6.538 1.00 0.82 H new ATOM 1205 N THR A 87 7.599 -6.698 7.949 1.00 0.52 N ATOM 1206 CA THR A 87 8.021 -7.982 8.478 1.00 0.54 C ATOM 1207 C THR A 87 8.364 -8.952 7.347 1.00 0.50 C ATOM 1208 O THR A 87 9.459 -9.509 7.302 1.00 0.54 O ATOM 1209 CB THR A 87 6.921 -8.592 9.363 1.00 0.58 C ATOM 1210 OG1 THR A 87 6.546 -7.660 10.384 1.00 0.71 O ATOM 1211 CG2 THR A 87 7.396 -9.885 10.001 1.00 0.58 C ATOM 0 H THR A 87 6.669 -6.408 8.252 1.00 0.52 H new ATOM 0 HA THR A 87 8.913 -7.815 9.082 1.00 0.54 H new ATOM 0 HB THR A 87 6.058 -8.812 8.735 1.00 0.58 H new ATOM 0 HG1 THR A 87 5.844 -8.053 10.944 1.00 0.71 H new ATOM 0 HG21 THR A 87 6.601 -10.298 10.622 1.00 0.58 H new ATOM 0 HG22 THR A 87 7.656 -10.601 9.222 1.00 0.58 H new ATOM 0 HG23 THR A 87 8.272 -9.686 10.618 1.00 0.58 H new ATOM 1219 N ASN A 88 7.425 -9.147 6.431 1.00 0.47 N ATOM 1220 CA ASN A 88 7.668 -10.005 5.278 1.00 0.53 C ATOM 1221 C ASN A 88 8.069 -9.188 4.061 1.00 0.52 C ATOM 1222 O ASN A 88 8.348 -9.745 3.000 1.00 0.64 O ATOM 1223 CB ASN A 88 6.445 -10.855 4.957 1.00 0.59 C ATOM 1224 CG ASN A 88 6.425 -12.154 5.735 1.00 0.76 C ATOM 1225 OD1 ASN A 88 5.906 -12.221 6.847 1.00 1.26 O ATOM 1226 ND2 ASN A 88 6.994 -13.198 5.155 1.00 1.50 N ATOM 0 H ASN A 88 6.496 -8.727 6.462 1.00 0.47 H new ATOM 0 HA ASN A 88 8.493 -10.669 5.536 1.00 0.53 H new ATOM 0 HB2 ASN A 88 5.542 -10.287 5.181 1.00 0.59 H new ATOM 0 HB3 ASN A 88 6.428 -11.074 3.889 1.00 0.59 H new ATOM 0 HD21 ASN A 88 7.012 -14.099 5.632 1.00 1.50 H new ATOM 0 HD22 ASN A 88 7.414 -13.102 4.231 1.00 1.50 H new ATOM 1233 N HIS A 89 8.061 -7.865 4.226 1.00 0.47 N ATOM 1234 CA HIS A 89 8.580 -6.939 3.215 1.00 0.53 C ATOM 1235 C HIS A 89 7.625 -6.863 2.028 1.00 0.43 C ATOM 1236 O HIS A 89 8.039 -6.794 0.868 1.00 0.45 O ATOM 1237 CB HIS A 89 9.983 -7.371 2.772 1.00 0.72 C ATOM 1238 CG HIS A 89 11.043 -6.339 2.998 1.00 0.91 C ATOM 1239 ND1 HIS A 89 12.092 -6.160 2.134 1.00 1.28 N ATOM 1240 CD2 HIS A 89 11.229 -5.437 4.001 1.00 0.96 C ATOM 1241 CE1 HIS A 89 12.872 -5.202 2.581 1.00 1.48 C ATOM 1242 NE2 HIS A 89 12.377 -4.743 3.712 1.00 1.26 N ATOM 0 H HIS A 89 7.696 -7.405 5.060 1.00 0.47 H new ATOM 0 HA HIS A 89 8.655 -5.943 3.650 1.00 0.53 H new ATOM 0 HB2 HIS A 89 10.257 -8.280 3.307 1.00 0.72 H new ATOM 0 HB3 HIS A 89 9.956 -7.621 1.712 1.00 0.72 H new ATOM 0 HD1 HIS A 89 12.244 -6.689 1.276 1.00 1.28 H new ATOM 0 HD2 HIS A 89 10.593 -5.295 4.862 1.00 0.96 H new ATOM 0 HE1 HIS A 89 13.772 -4.849 2.100 1.00 1.48 H new ATOM 1251 N LYS A 90 6.341 -6.846 2.350 1.00 0.35 N ATOM 1252 CA LYS A 90 5.277 -6.884 1.366 1.00 0.28 C ATOM 1253 C LYS A 90 4.485 -5.580 1.315 1.00 0.23 C ATOM 1254 O LYS A 90 4.259 -4.933 2.332 1.00 0.26 O ATOM 1255 CB LYS A 90 4.333 -8.013 1.737 1.00 0.30 C ATOM 1256 CG LYS A 90 4.763 -9.377 1.237 1.00 0.33 C ATOM 1257 CD LYS A 90 3.763 -10.445 1.640 1.00 0.32 C ATOM 1258 CE LYS A 90 3.517 -10.429 3.137 1.00 0.34 C ATOM 1259 NZ LYS A 90 2.502 -11.437 3.545 1.00 0.44 N ATOM 0 H LYS A 90 6.008 -6.805 3.313 1.00 0.35 H new ATOM 0 HA LYS A 90 5.726 -7.035 0.384 1.00 0.28 H new ATOM 0 HB2 LYS A 90 4.239 -8.050 2.822 1.00 0.30 H new ATOM 0 HB3 LYS A 90 3.343 -7.789 1.339 1.00 0.30 H new ATOM 0 HG2 LYS A 90 4.860 -9.356 0.152 1.00 0.33 H new ATOM 0 HG3 LYS A 90 5.745 -9.623 1.640 1.00 0.33 H new ATOM 0 HD2 LYS A 90 2.823 -10.284 1.113 1.00 0.32 H new ATOM 0 HD3 LYS A 90 4.133 -11.425 1.340 1.00 0.32 H new ATOM 0 HE2 LYS A 90 4.453 -10.624 3.660 1.00 0.34 H new ATOM 0 HE3 LYS A 90 3.184 -9.436 3.439 1.00 0.34 H new ATOM 0 HZ1 LYS A 90 2.364 -11.393 4.575 1.00 0.44 H new ATOM 0 HZ2 LYS A 90 1.601 -11.236 3.066 1.00 0.44 H new ATOM 0 HZ3 LYS A 90 2.831 -12.387 3.280 1.00 0.44 H new ATOM 1273 N LEU A 91 4.044 -5.231 0.118 1.00 0.20 N ATOM 1274 CA LEU A 91 3.125 -4.121 -0.091 1.00 0.17 C ATOM 1275 C LEU A 91 1.711 -4.685 -0.061 1.00 0.14 C ATOM 1276 O LEU A 91 1.257 -5.317 -1.010 1.00 0.17 O ATOM 1277 CB LEU A 91 3.439 -3.416 -1.431 1.00 0.26 C ATOM 1278 CG LEU A 91 2.579 -2.200 -1.878 1.00 0.18 C ATOM 1279 CD1 LEU A 91 1.264 -2.045 -1.129 1.00 0.19 C ATOM 1280 CD2 LEU A 91 3.365 -0.920 -1.777 1.00 0.16 C ATOM 0 H LEU A 91 4.314 -5.711 -0.741 1.00 0.20 H new ATOM 0 HA LEU A 91 3.230 -3.369 0.691 1.00 0.17 H new ATOM 0 HB2 LEU A 91 4.477 -3.084 -1.390 1.00 0.26 H new ATOM 0 HB3 LEU A 91 3.375 -4.168 -2.218 1.00 0.26 H new ATOM 0 HG LEU A 91 2.321 -2.409 -2.916 1.00 0.18 H new ATOM 0 HD11 LEU A 91 0.731 -1.172 -1.506 1.00 0.19 H new ATOM 0 HD12 LEU A 91 0.653 -2.935 -1.278 1.00 0.19 H new ATOM 0 HD13 LEU A 91 1.464 -1.916 -0.065 1.00 0.19 H new ATOM 0 HD21 LEU A 91 2.742 -0.084 -2.095 1.00 0.16 H new ATOM 0 HD22 LEU A 91 3.679 -0.766 -0.745 1.00 0.16 H new ATOM 0 HD23 LEU A 91 4.244 -0.981 -2.418 1.00 0.16 H new ATOM 1292 N ILE A 92 1.038 -4.443 1.044 1.00 0.14 N ATOM 1293 CA ILE A 92 -0.326 -4.874 1.247 1.00 0.16 C ATOM 1294 C ILE A 92 -1.296 -3.727 1.011 1.00 0.17 C ATOM 1295 O ILE A 92 -0.990 -2.563 1.289 1.00 0.17 O ATOM 1296 CB ILE A 92 -0.490 -5.396 2.692 1.00 0.19 C ATOM 1297 CG1 ILE A 92 0.042 -6.821 2.811 1.00 0.21 C ATOM 1298 CG2 ILE A 92 -1.930 -5.315 3.190 1.00 0.23 C ATOM 1299 CD1 ILE A 92 1.532 -6.893 2.979 1.00 0.22 C ATOM 0 H ILE A 92 1.430 -3.934 1.836 1.00 0.14 H new ATOM 0 HA ILE A 92 -0.549 -5.669 0.536 1.00 0.16 H new ATOM 0 HB ILE A 92 0.100 -4.741 3.333 1.00 0.19 H new ATOM 0 HG12 ILE A 92 -0.435 -7.308 3.661 1.00 0.21 H new ATOM 0 HG13 ILE A 92 -0.243 -7.382 1.921 1.00 0.21 H new ATOM 0 HG21 ILE A 92 -1.984 -5.695 4.210 1.00 0.23 H new ATOM 0 HG22 ILE A 92 -2.264 -4.277 3.171 1.00 0.23 H new ATOM 0 HG23 ILE A 92 -2.572 -5.914 2.545 1.00 0.23 H new ATOM 0 HD11 ILE A 92 1.839 -7.936 3.057 1.00 0.22 H new ATOM 0 HD12 ILE A 92 2.018 -6.435 2.117 1.00 0.22 H new ATOM 0 HD13 ILE A 92 1.822 -6.360 3.885 1.00 0.22 H new ATOM 1311 N SER A 93 -2.448 -4.041 0.461 1.00 0.20 N ATOM 1312 CA SER A 93 -3.552 -3.120 0.508 1.00 0.26 C ATOM 1313 C SER A 93 -4.484 -3.588 1.599 1.00 0.37 C ATOM 1314 O SER A 93 -4.821 -4.762 1.647 1.00 0.61 O ATOM 1315 CB SER A 93 -4.296 -3.059 -0.821 1.00 0.40 C ATOM 1316 OG SER A 93 -5.100 -4.198 -1.016 1.00 1.41 O ATOM 0 H SER A 93 -2.640 -4.920 -0.019 1.00 0.20 H new ATOM 0 HA SER A 93 -3.179 -2.116 0.708 1.00 0.26 H new ATOM 0 HB2 SER A 93 -4.918 -2.164 -0.850 1.00 0.40 H new ATOM 0 HB3 SER A 93 -3.578 -2.975 -1.637 1.00 0.40 H new ATOM 0 HG SER A 93 -5.919 -4.115 -0.485 1.00 1.41 H new ATOM 1322 N THR A 94 -4.869 -2.721 2.496 1.00 0.34 N ATOM 1323 CA THR A 94 -5.809 -3.122 3.501 1.00 0.38 C ATOM 1324 C THR A 94 -7.155 -2.486 3.231 1.00 0.42 C ATOM 1325 O THR A 94 -7.345 -1.293 3.424 1.00 0.49 O ATOM 1326 CB THR A 94 -5.307 -2.746 4.897 1.00 0.39 C ATOM 1327 OG1 THR A 94 -4.111 -3.486 5.188 1.00 0.45 O ATOM 1328 CG2 THR A 94 -6.370 -3.033 5.945 1.00 0.48 C ATOM 0 H THR A 94 -4.553 -1.753 2.551 1.00 0.34 H new ATOM 0 HA THR A 94 -5.917 -4.206 3.464 1.00 0.38 H new ATOM 0 HB THR A 94 -5.088 -1.678 4.920 1.00 0.39 H new ATOM 0 HG1 THR A 94 -3.876 -3.369 6.132 1.00 0.45 H new ATOM 0 HG21 THR A 94 -5.993 -2.759 6.930 1.00 0.48 H new ATOM 0 HG22 THR A 94 -7.265 -2.451 5.724 1.00 0.48 H new ATOM 0 HG23 THR A 94 -6.615 -4.095 5.933 1.00 0.48 H new ATOM 1336 N PHE A 95 -8.090 -3.301 2.802 1.00 0.43 N ATOM 1337 CA PHE A 95 -9.426 -2.828 2.521 1.00 0.50 C ATOM 1338 C PHE A 95 -10.338 -3.279 3.609 1.00 0.53 C ATOM 1339 O PHE A 95 -10.767 -4.425 3.600 1.00 0.55 O ATOM 1340 CB PHE A 95 -9.956 -3.402 1.222 1.00 0.55 C ATOM 1341 CG PHE A 95 -11.281 -2.817 0.818 1.00 0.77 C ATOM 1342 CD1 PHE A 95 -12.462 -3.503 1.077 1.00 0.94 C ATOM 1343 CD2 PHE A 95 -11.355 -1.579 0.203 1.00 0.90 C ATOM 1344 CE1 PHE A 95 -13.684 -2.964 0.728 1.00 1.16 C ATOM 1345 CE2 PHE A 95 -12.577 -1.038 -0.149 1.00 1.13 C ATOM 1346 CZ PHE A 95 -13.740 -1.730 0.115 1.00 1.23 C ATOM 0 H PHE A 95 -7.950 -4.298 2.639 1.00 0.43 H new ATOM 0 HA PHE A 95 -9.386 -1.741 2.448 1.00 0.50 H new ATOM 0 HB2 PHE A 95 -9.230 -3.224 0.429 1.00 0.55 H new ATOM 0 HB3 PHE A 95 -10.058 -4.482 1.324 1.00 0.55 H new ATOM 0 HD1 PHE A 95 -12.423 -4.470 1.557 1.00 0.94 H new ATOM 0 HD2 PHE A 95 -10.448 -1.030 -0.004 1.00 0.90 H new ATOM 0 HE1 PHE A 95 -14.594 -3.508 0.935 1.00 1.16 H new ATOM 0 HE2 PHE A 95 -12.621 -0.073 -0.631 1.00 1.13 H new ATOM 0 HZ PHE A 95 -14.695 -1.306 -0.158 1.00 1.23 H new ATOM 1356 N THR A 96 -10.653 -2.406 4.524 1.00 0.60 N ATOM 1357 CA THR A 96 -11.530 -2.772 5.595 1.00 0.69 C ATOM 1358 C THR A 96 -12.985 -2.655 5.144 1.00 0.86 C ATOM 1359 O THR A 96 -13.514 -1.548 5.010 1.00 1.02 O ATOM 1360 CB THR A 96 -11.288 -1.903 6.826 1.00 0.79 C ATOM 1361 OG1 THR A 96 -9.933 -1.428 6.843 1.00 1.39 O ATOM 1362 CG2 THR A 96 -11.540 -2.712 8.064 1.00 0.74 C ATOM 0 H THR A 96 -10.317 -1.443 4.549 1.00 0.60 H new ATOM 0 HA THR A 96 -11.322 -3.807 5.867 1.00 0.69 H new ATOM 0 HB THR A 96 -11.965 -1.049 6.793 1.00 0.79 H new ATOM 0 HG1 THR A 96 -9.792 -0.871 7.637 1.00 1.39 H new ATOM 0 HG21 THR A 96 -11.368 -2.093 8.944 1.00 0.74 H new ATOM 0 HG22 THR A 96 -12.571 -3.065 8.065 1.00 0.74 H new ATOM 0 HG23 THR A 96 -10.864 -3.567 8.084 1.00 0.74 H new ATOM 1440 N ALA A 103 -9.864 -7.501 6.158 1.00 0.76 N ATOM 1441 CA ALA A 103 -9.621 -6.597 5.049 1.00 0.61 C ATOM 1442 C ALA A 103 -9.116 -7.325 3.824 1.00 0.58 C ATOM 1443 O ALA A 103 -8.551 -8.414 3.895 1.00 0.64 O ATOM 1444 CB ALA A 103 -8.647 -5.509 5.456 1.00 0.52 C ATOM 0 HA ALA A 103 -10.576 -6.141 4.787 1.00 0.61 H new ATOM 0 HB1 ALA A 103 -8.476 -4.840 4.613 1.00 0.52 H new ATOM 0 HB2 ALA A 103 -9.062 -4.943 6.290 1.00 0.52 H new ATOM 0 HB3 ALA A 103 -7.702 -5.961 5.758 1.00 0.52 H new ATOM 1450 N THR A 104 -9.343 -6.680 2.711 1.00 0.53 N ATOM 1451 CA THR A 104 -9.018 -7.198 1.404 1.00 0.50 C ATOM 1452 C THR A 104 -7.652 -6.681 0.948 1.00 0.43 C ATOM 1453 O THR A 104 -7.337 -5.509 1.152 1.00 0.51 O ATOM 1454 CB THR A 104 -10.134 -6.777 0.438 1.00 0.53 C ATOM 1455 OG1 THR A 104 -11.007 -7.877 0.167 1.00 0.64 O ATOM 1456 CG2 THR A 104 -9.589 -6.210 -0.846 1.00 0.56 C ATOM 0 H THR A 104 -9.771 -5.754 2.685 1.00 0.53 H new ATOM 0 HA THR A 104 -8.951 -8.286 1.428 1.00 0.50 H new ATOM 0 HB THR A 104 -10.702 -5.986 0.928 1.00 0.53 H new ATOM 0 HG1 THR A 104 -11.713 -7.590 -0.449 1.00 0.64 H new ATOM 0 HG21 THR A 104 -10.415 -5.926 -1.498 1.00 0.56 H new ATOM 0 HG22 THR A 104 -8.981 -5.332 -0.627 1.00 0.56 H new ATOM 0 HG23 THR A 104 -8.975 -6.961 -1.344 1.00 0.56 H new ATOM 1464 N VAL A 105 -6.849 -7.549 0.331 1.00 0.34 N ATOM 1465 CA VAL A 105 -5.447 -7.232 0.086 1.00 0.28 C ATOM 1466 C VAL A 105 -4.986 -7.481 -1.359 1.00 0.25 C ATOM 1467 O VAL A 105 -5.233 -8.534 -1.945 1.00 0.38 O ATOM 1468 CB VAL A 105 -4.536 -8.037 1.039 1.00 0.29 C ATOM 1469 CG1 VAL A 105 -3.073 -7.727 0.780 1.00 0.25 C ATOM 1470 CG2 VAL A 105 -4.886 -7.759 2.495 1.00 0.35 C ATOM 0 H VAL A 105 -7.144 -8.466 -0.004 1.00 0.34 H new ATOM 0 HA VAL A 105 -5.362 -6.161 0.270 1.00 0.28 H new ATOM 0 HB VAL A 105 -4.704 -9.096 0.843 1.00 0.29 H new ATOM 0 HG11 VAL A 105 -2.452 -8.306 1.463 1.00 0.25 H new ATOM 0 HG12 VAL A 105 -2.822 -7.988 -0.248 1.00 0.25 H new ATOM 0 HG13 VAL A 105 -2.893 -6.664 0.938 1.00 0.25 H new ATOM 0 HG21 VAL A 105 -4.229 -8.339 3.144 1.00 0.35 H new ATOM 0 HG22 VAL A 105 -4.757 -6.697 2.704 1.00 0.35 H new ATOM 0 HG23 VAL A 105 -5.922 -8.042 2.681 1.00 0.35 H new ATOM 1480 N LEU A 106 -4.333 -6.463 -1.907 1.00 0.20 N ATOM 1481 CA LEU A 106 -3.531 -6.560 -3.121 1.00 0.17 C ATOM 1482 C LEU A 106 -2.059 -6.509 -2.734 1.00 0.15 C ATOM 1483 O LEU A 106 -1.554 -5.445 -2.361 1.00 0.18 O ATOM 1484 CB LEU A 106 -3.834 -5.389 -4.061 1.00 0.19 C ATOM 1485 CG LEU A 106 -4.875 -5.634 -5.152 1.00 0.15 C ATOM 1486 CD1 LEU A 106 -4.484 -6.825 -6.014 1.00 0.28 C ATOM 1487 CD2 LEU A 106 -6.256 -5.840 -4.540 1.00 0.26 C ATOM 0 H LEU A 106 -4.347 -5.524 -1.510 1.00 0.20 H new ATOM 0 HA LEU A 106 -3.767 -7.493 -3.632 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -4.167 -4.545 -3.457 1.00 0.19 H new ATOM 0 HB3 LEU A 106 -2.903 -5.089 -4.541 1.00 0.19 H new ATOM 0 HG LEU A 106 -4.913 -4.752 -5.791 1.00 0.15 H new ATOM 0 HD11 LEU A 106 -5.240 -6.981 -6.784 1.00 0.28 H new ATOM 0 HD12 LEU A 106 -3.520 -6.632 -6.485 1.00 0.28 H new ATOM 0 HD13 LEU A 106 -4.412 -7.717 -5.391 1.00 0.28 H new ATOM 0 HD21 LEU A 106 -6.983 -6.013 -5.333 1.00 0.26 H new ATOM 0 HD22 LEU A 106 -6.234 -6.702 -3.874 1.00 0.26 H new ATOM 0 HD23 LEU A 106 -6.540 -4.952 -3.975 1.00 0.26 H new ATOM 1499 N THR A 107 -1.374 -7.636 -2.820 1.00 0.15 N ATOM 1500 CA THR A 107 -0.019 -7.731 -2.298 1.00 0.12 C ATOM 1501 C THR A 107 1.048 -7.642 -3.391 1.00 0.12 C ATOM 1502 O THR A 107 0.841 -8.052 -4.535 1.00 0.19 O ATOM 1503 CB THR A 107 0.186 -9.044 -1.527 1.00 0.17 C ATOM 1504 OG1 THR A 107 -0.916 -9.278 -0.646 1.00 0.21 O ATOM 1505 CG2 THR A 107 1.478 -9.007 -0.718 1.00 0.24 C ATOM 0 H THR A 107 -1.729 -8.493 -3.243 1.00 0.15 H new ATOM 0 HA THR A 107 0.098 -6.877 -1.631 1.00 0.12 H new ATOM 0 HB THR A 107 0.250 -9.852 -2.256 1.00 0.17 H new ATOM 0 HG1 THR A 107 -0.775 -10.118 -0.162 1.00 0.21 H new ATOM 0 HG21 THR A 107 1.599 -9.948 -0.182 1.00 0.24 H new ATOM 0 HG22 THR A 107 2.324 -8.861 -1.390 1.00 0.24 H new ATOM 0 HG23 THR A 107 1.436 -8.185 -0.003 1.00 0.24 H new ATOM 1513 N TYR A 108 2.179 -7.078 -3.004 1.00 0.13 N ATOM 1514 CA TYR A 108 3.395 -7.070 -3.802 1.00 0.15 C ATOM 1515 C TYR A 108 4.567 -7.382 -2.882 1.00 0.17 C ATOM 1516 O TYR A 108 4.556 -6.988 -1.722 1.00 0.20 O ATOM 1517 CB TYR A 108 3.582 -5.702 -4.474 1.00 0.17 C ATOM 1518 CG TYR A 108 5.027 -5.303 -4.702 1.00 0.17 C ATOM 1519 CD1 TYR A 108 5.677 -4.464 -3.805 1.00 0.16 C ATOM 1520 CD2 TYR A 108 5.734 -5.745 -5.813 1.00 0.19 C ATOM 1521 CE1 TYR A 108 6.985 -4.076 -4.003 1.00 0.17 C ATOM 1522 CE2 TYR A 108 7.046 -5.366 -6.020 1.00 0.21 C ATOM 1523 CZ TYR A 108 7.668 -4.532 -5.114 1.00 0.20 C ATOM 1524 OH TYR A 108 8.973 -4.150 -5.320 1.00 0.23 O ATOM 0 H TYR A 108 2.281 -6.602 -2.107 1.00 0.13 H new ATOM 0 HA TYR A 108 3.334 -7.820 -4.591 1.00 0.15 H new ATOM 0 HB2 TYR A 108 3.065 -5.710 -5.434 1.00 0.17 H new ATOM 0 HB3 TYR A 108 3.101 -4.941 -3.859 1.00 0.17 H new ATOM 0 HD1 TYR A 108 5.146 -4.108 -2.934 1.00 0.16 H new ATOM 0 HD2 TYR A 108 5.250 -6.395 -6.526 1.00 0.19 H new ATOM 0 HE1 TYR A 108 7.472 -3.421 -3.296 1.00 0.17 H new ATOM 0 HE2 TYR A 108 7.583 -5.721 -6.887 1.00 0.21 H new ATOM 0 HH TYR A 108 9.307 -4.559 -6.146 1.00 0.23 H new ATOM 1534 N ASP A 109 5.562 -8.092 -3.372 1.00 0.17 N ATOM 1535 CA ASP A 109 6.716 -8.416 -2.549 1.00 0.19 C ATOM 1536 C ASP A 109 7.948 -7.702 -3.079 1.00 0.23 C ATOM 1537 O ASP A 109 8.378 -7.943 -4.207 1.00 0.29 O ATOM 1538 CB ASP A 109 6.966 -9.920 -2.528 1.00 0.23 C ATOM 1539 CG ASP A 109 7.601 -10.378 -1.229 1.00 1.27 C ATOM 1540 OD1 ASP A 109 8.624 -9.782 -0.825 1.00 1.94 O ATOM 1541 OD2 ASP A 109 7.078 -11.327 -0.608 1.00 1.85 O ATOM 0 H ASP A 109 5.599 -8.454 -4.325 1.00 0.17 H new ATOM 0 HA ASP A 109 6.511 -8.084 -1.531 1.00 0.19 H new ATOM 0 HB2 ASP A 109 6.022 -10.445 -2.674 1.00 0.23 H new ATOM 0 HB3 ASP A 109 7.614 -10.190 -3.362 1.00 0.23 H new ATOM 1546 N TRP A 110 8.510 -6.817 -2.266 1.00 0.24 N ATOM 1547 CA TRP A 110 9.687 -6.056 -2.664 1.00 0.30 C ATOM 1548 C TRP A 110 10.916 -6.954 -2.716 1.00 0.43 C ATOM 1549 O TRP A 110 11.776 -6.797 -3.585 1.00 0.52 O ATOM 1550 CB TRP A 110 9.901 -4.865 -1.710 1.00 0.26 C ATOM 1551 CG TRP A 110 11.326 -4.392 -1.607 1.00 0.30 C ATOM 1552 CD1 TRP A 110 12.211 -4.689 -0.614 1.00 0.74 C ATOM 1553 CD2 TRP A 110 12.028 -3.539 -2.520 1.00 1.13 C ATOM 1554 NE1 TRP A 110 13.415 -4.077 -0.848 1.00 0.47 N ATOM 1555 CE2 TRP A 110 13.330 -3.366 -2.013 1.00 0.80 C ATOM 1556 CE3 TRP A 110 11.685 -2.908 -3.713 1.00 2.22 C ATOM 1557 CZ2 TRP A 110 14.285 -2.586 -2.660 1.00 1.48 C ATOM 1558 CZ3 TRP A 110 12.634 -2.135 -4.355 1.00 2.91 C ATOM 1559 CH2 TRP A 110 13.920 -1.980 -3.827 1.00 2.54 C ATOM 0 H TRP A 110 8.170 -6.608 -1.327 1.00 0.24 H new ATOM 0 HA TRP A 110 9.526 -5.660 -3.667 1.00 0.30 H new ATOM 0 HB2 TRP A 110 9.279 -4.034 -2.043 1.00 0.26 H new ATOM 0 HB3 TRP A 110 9.553 -5.146 -0.716 1.00 0.26 H new ATOM 0 HD1 TRP A 110 11.994 -5.318 0.237 1.00 0.74 H new ATOM 0 HE1 TRP A 110 14.239 -4.141 -0.251 1.00 0.47 H new ATOM 0 HE3 TRP A 110 10.695 -3.021 -4.129 1.00 2.22 H new ATOM 0 HZ2 TRP A 110 15.278 -2.465 -2.253 1.00 1.48 H new ATOM 0 HZ3 TRP A 110 12.378 -1.642 -5.281 1.00 2.91 H new ATOM 0 HH2 TRP A 110 14.638 -1.369 -4.353 1.00 2.54 H new ATOM 1570 N SER A 111 10.980 -7.907 -1.804 1.00 0.53 N ATOM 1571 CA SER A 111 12.104 -8.812 -1.727 1.00 0.69 C ATOM 1572 C SER A 111 11.802 -10.123 -2.431 1.00 0.68 C ATOM 1573 O SER A 111 12.711 -10.835 -2.865 1.00 0.85 O ATOM 1574 CB SER A 111 12.435 -9.054 -0.271 1.00 0.82 C ATOM 1575 OG SER A 111 13.025 -7.905 0.313 1.00 1.56 O ATOM 0 H SER A 111 10.258 -8.072 -1.102 1.00 0.53 H new ATOM 0 HA SER A 111 12.960 -8.363 -2.231 1.00 0.69 H new ATOM 0 HB2 SER A 111 11.528 -9.318 0.273 1.00 0.82 H new ATOM 0 HB3 SER A 111 13.116 -9.901 -0.185 1.00 0.82 H new ATOM 0 HG SER A 111 13.359 -8.127 1.207 1.00 1.56 H new