USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 806 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 48 LYS NZ :NH3+ -172:sc= -0.37 (180deg=-0.614) USER MOD Set 1.2: A 84 TYR OH : rot -162:sc= -5.95! USER MOD Set 2.1: A 75 SER OG : rot 30:sc= 1.14 USER MOD Set 2.2: A 79 SER OG : rot 104:sc= 0.0712 USER MOD Single : A 4 ASN : amide:sc= -0.608 X(o=-0.61,f=-0.62!) USER MOD Single : A 5 ASN : amide:sc= -0.0645 X(o=-0.065,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.091) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.604 K(o=-0.6,f=-3.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -151:sc= -0.354 (180deg=-1.31!) USER MOD Single : A 19 LYS NZ :NH3+ -110:sc= 0.464 (180deg=-0.167) USER MOD Single : A 22 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.34) USER MOD Single : A 28 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.081) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= -0.0355 (180deg=-0.392) USER MOD Single : A 39 ASN : amide:sc= -6.47! C(o=-6.5!,f=-11!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -2.11 K(o=-2.1,f=-4.5!) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0715) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.091) USER MOD Single : A 55 GLN : amide:sc= 0.0442 K(o=0.044,f=-3.4!) USER MOD Single : A 57 HIS : no HD1:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.801 K(o=-0.8,f=-3.8!) USER MOD Single : A 67 GLN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 68 HIS : no HE2:sc= -2.67 X(o=-2.7,f=-2.8) USER MOD Single : A 70 SER OG : rot 92:sc= 0.138 USER MOD Single : A 73 MET CE :methyl 144:sc= -4.14 (180deg=-9.46!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -1.31 K(o=-1.3,f=-6.1!) USER MOD Single : A 85 THR OG1 : rot 80:sc= 1 USER MOD Single : A 90 ASN : amide:sc= -8.63! C(o=-8.6!,f=-17!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.0078) USER MOD Single : A 97 HIS : no HE2:sc= -0.351 K(o=-0.35,f=-1.6) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -99:sc= -1.02 USER MOD Single : A 100 HIS : no HD1:sc= -0.0289 X(o=-0.029,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 4 -0.552 23.986 -5.796 1.00 1.39 N ATOM 2 CA ASN A 4 -0.312 22.550 -5.765 1.00 1.19 C ATOM 3 C ASN A 4 0.533 22.172 -4.554 1.00 0.98 C ATOM 4 O ASN A 4 1.761 22.139 -4.628 1.00 1.50 O ATOM 5 CB ASN A 4 0.386 22.098 -7.049 1.00 1.71 C ATOM 6 CG ASN A 4 -0.232 22.712 -8.289 1.00 1.99 C ATOM 7 OD1 ASN A 4 -1.283 23.349 -8.224 1.00 2.33 O ATOM 8 ND2 ASN A 4 0.419 22.522 -9.432 1.00 2.64 N ATOM 0 HA ASN A 4 -1.275 22.046 -5.690 1.00 1.19 H new ATOM 0 HB2 ASN A 4 1.441 22.368 -7.000 1.00 1.71 H new ATOM 0 HB3 ASN A 4 0.338 21.012 -7.122 1.00 1.71 H new ATOM 0 HD21 ASN A 4 0.050 22.911 -10.300 1.00 2.64 H new ATOM 0 HD22 ASN A 4 1.288 21.987 -9.441 1.00 2.64 H new ATOM 15 N ASN A 5 -0.131 21.889 -3.439 1.00 0.76 N ATOM 16 CA ASN A 5 0.557 21.517 -2.212 1.00 0.53 C ATOM 17 C ASN A 5 0.042 20.163 -1.711 1.00 0.49 C ATOM 18 O ASN A 5 -0.298 19.295 -2.514 1.00 0.60 O ATOM 19 CB ASN A 5 0.367 22.607 -1.147 1.00 0.52 C ATOM 20 CG ASN A 5 0.332 24.007 -1.735 1.00 0.63 C ATOM 21 OD1 ASN A 5 -0.639 24.742 -1.558 1.00 1.19 O ATOM 22 ND2 ASN A 5 1.395 24.378 -2.438 1.00 1.41 N ATOM 0 H ASN A 5 -1.148 21.911 -3.361 1.00 0.76 H new ATOM 0 HA ASN A 5 1.624 21.423 -2.415 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -0.561 22.422 -0.606 1.00 0.52 H new ATOM 0 HB3 ASN A 5 1.177 22.543 -0.421 1.00 0.52 H new ATOM 0 HD21 ASN A 5 1.430 25.307 -2.858 1.00 1.41 H new ATOM 0 HD22 ASN A 5 2.177 23.734 -2.558 1.00 1.41 H new ATOM 29 N LYS A 6 -0.015 19.977 -0.393 1.00 0.45 N ATOM 30 CA LYS A 6 -0.492 18.720 0.170 1.00 0.49 C ATOM 31 C LYS A 6 -1.973 18.809 0.524 1.00 0.49 C ATOM 32 O LYS A 6 -2.380 19.609 1.365 1.00 0.56 O ATOM 33 CB LYS A 6 0.327 18.302 1.402 1.00 0.64 C ATOM 34 CG LYS A 6 1.239 19.386 1.959 1.00 1.28 C ATOM 35 CD LYS A 6 2.365 19.715 0.990 1.00 1.76 C ATOM 36 CE LYS A 6 3.716 19.280 1.534 1.00 2.52 C ATOM 37 NZ LYS A 6 4.124 20.090 2.714 1.00 3.06 N ATOM 0 H LYS A 6 0.261 20.675 0.297 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.361 17.954 -0.594 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.360 17.985 2.187 1.00 0.64 H new ATOM 0 HB3 LYS A 6 0.934 17.435 1.141 1.00 0.64 H new ATOM 0 HG2 LYS A 6 0.657 20.285 2.162 1.00 1.28 H new ATOM 0 HG3 LYS A 6 1.659 19.057 2.910 1.00 1.28 H new ATOM 0 HD2 LYS A 6 2.180 19.222 0.036 1.00 1.76 H new ATOM 0 HD3 LYS A 6 2.378 20.788 0.797 1.00 1.76 H new ATOM 0 HE2 LYS A 6 3.673 18.227 1.813 1.00 2.52 H new ATOM 0 HE3 LYS A 6 4.470 19.372 0.752 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 5.144 19.973 2.879 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 3.915 21.093 2.536 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 3.598 19.771 3.553 1.00 3.06 H new ATOM 51 N ARG A 7 -2.765 17.978 -0.141 1.00 0.50 N ATOM 52 CA ARG A 7 -4.207 17.932 0.063 1.00 0.52 C ATOM 53 C ARG A 7 -4.720 16.497 -0.075 1.00 0.47 C ATOM 54 O ARG A 7 -4.528 15.849 -1.116 1.00 0.43 O ATOM 55 CB ARG A 7 -4.909 18.838 -0.947 1.00 0.57 C ATOM 56 CG ARG A 7 -4.676 20.319 -0.705 1.00 0.77 C ATOM 57 CD ARG A 7 -3.303 20.750 -1.193 1.00 0.64 C ATOM 58 NE ARG A 7 -3.382 21.850 -2.152 1.00 0.98 N ATOM 59 CZ ARG A 7 -3.628 21.684 -3.449 1.00 1.66 C ATOM 60 NH1 ARG A 7 -3.809 20.467 -3.945 1.00 2.46 N ATOM 61 NH2 ARG A 7 -3.690 22.737 -4.251 1.00 2.11 N ATOM 0 H ARG A 7 -2.425 17.316 -0.838 1.00 0.50 H new ATOM 0 HA ARG A 7 -4.427 18.286 1.070 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -4.565 18.584 -1.950 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -5.980 18.638 -0.918 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -5.444 20.898 -1.217 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -4.770 20.535 0.359 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -2.695 21.055 -0.341 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -2.800 19.901 -1.656 1.00 0.64 H new ATOM 0 HE ARG A 7 -3.240 22.799 -1.807 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -3.760 19.654 -3.331 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -3.997 20.345 -4.940 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -3.549 23.674 -3.874 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -3.879 22.610 -5.245 1.00 2.11 H new ATOM 75 N ALA A 8 -5.367 16.016 0.989 1.00 0.50 N ATOM 76 CA ALA A 8 -5.917 14.659 1.043 1.00 0.47 C ATOM 77 C ALA A 8 -6.456 14.183 -0.307 1.00 0.44 C ATOM 78 O ALA A 8 -7.287 14.853 -0.920 1.00 0.56 O ATOM 79 CB ALA A 8 -7.022 14.588 2.086 1.00 0.54 C ATOM 0 H ALA A 8 -5.525 16.557 1.839 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.096 13.996 1.316 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.426 13.576 2.120 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -6.617 14.850 3.063 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -7.816 15.287 1.823 1.00 0.54 H new ATOM 85 N PRO A 9 -6.004 13.005 -0.783 1.00 0.36 N ATOM 86 CA PRO A 9 -6.460 12.442 -2.043 1.00 0.37 C ATOM 87 C PRO A 9 -7.720 11.599 -1.875 1.00 0.37 C ATOM 88 O PRO A 9 -7.786 10.732 -1.002 1.00 0.40 O ATOM 89 CB PRO A 9 -5.283 11.573 -2.486 1.00 0.39 C ATOM 90 CG PRO A 9 -4.514 11.243 -1.241 1.00 0.51 C ATOM 91 CD PRO A 9 -5.027 12.125 -0.125 1.00 0.41 C ATOM 0 HA PRO A 9 -6.731 13.213 -2.765 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.633 10.666 -2.979 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.655 12.103 -3.202 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -4.640 10.191 -0.983 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.448 11.408 -1.397 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.491 11.537 0.667 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.221 12.697 0.333 1.00 0.41 H new ATOM 99 N TYR A 10 -8.718 11.864 -2.712 1.00 0.38 N ATOM 100 CA TYR A 10 -9.978 11.133 -2.653 1.00 0.41 C ATOM 101 C TYR A 10 -9.888 9.821 -3.423 1.00 0.38 C ATOM 102 O TYR A 10 -9.606 9.809 -4.622 1.00 0.44 O ATOM 103 CB TYR A 10 -11.114 11.989 -3.214 1.00 0.49 C ATOM 104 CG TYR A 10 -11.713 12.939 -2.200 1.00 1.15 C ATOM 105 CD1 TYR A 10 -10.916 13.560 -1.245 1.00 2.02 C ATOM 106 CD2 TYR A 10 -13.072 13.216 -2.201 1.00 1.90 C ATOM 107 CE1 TYR A 10 -11.461 14.429 -0.319 1.00 2.96 C ATOM 108 CE2 TYR A 10 -13.624 14.086 -1.279 1.00 2.78 C ATOM 109 CZ TYR A 10 -12.812 14.685 -0.336 1.00 3.18 C ATOM 110 OH TYR A 10 -13.359 15.555 0.578 1.00 4.20 O ATOM 0 H TYR A 10 -8.678 12.579 -3.438 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.185 10.904 -1.608 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -10.741 12.564 -4.062 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -11.898 11.334 -3.594 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -9.855 13.360 -1.227 1.00 2.02 H new ATOM 0 HD2 TYR A 10 -13.710 12.744 -2.934 1.00 1.90 H new ATOM 0 HE1 TYR A 10 -10.828 14.905 0.415 1.00 2.96 H new ATOM 0 HE2 TYR A 10 -14.683 14.296 -1.296 1.00 2.78 H new ATOM 0 HH TYR A 10 -14.325 15.624 0.427 1.00 4.20 H new ATOM 120 N TRP A 11 -10.131 8.717 -2.725 1.00 0.47 N ATOM 121 CA TRP A 11 -10.082 7.395 -3.337 1.00 0.49 C ATOM 122 C TRP A 11 -10.930 7.353 -4.605 1.00 0.42 C ATOM 123 O TRP A 11 -12.012 7.936 -4.657 1.00 0.45 O ATOM 124 CB TRP A 11 -10.578 6.337 -2.351 1.00 0.60 C ATOM 125 CG TRP A 11 -12.037 6.462 -2.030 1.00 0.83 C ATOM 126 CD1 TRP A 11 -12.746 7.616 -1.867 1.00 1.71 C ATOM 127 CD2 TRP A 11 -12.965 5.389 -1.830 1.00 1.65 C ATOM 128 NE1 TRP A 11 -14.058 7.329 -1.580 1.00 2.26 N ATOM 129 CE2 TRP A 11 -14.218 5.968 -1.553 1.00 2.17 C ATOM 130 CE3 TRP A 11 -12.861 3.996 -1.864 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -15.356 5.203 -1.306 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -13.991 3.236 -1.619 1.00 3.54 C ATOM 133 CH2 TRP A 11 -15.223 3.842 -1.345 1.00 3.60 C ATOM 0 H TRP A 11 -10.365 8.712 -1.732 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.046 7.183 -3.602 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -10.388 5.347 -2.765 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -10.003 6.412 -1.428 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -12.335 8.611 -1.951 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -14.793 8.016 -1.414 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -11.915 3.521 -2.078 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -16.307 5.667 -1.092 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -13.922 2.158 -1.639 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -16.087 3.221 -1.160 1.00 3.60 H new ATOM 144 N THR A 12 -10.435 6.655 -5.623 1.00 0.45 N ATOM 145 CA THR A 12 -11.161 6.543 -6.883 1.00 0.50 C ATOM 146 C THR A 12 -11.614 5.107 -7.134 1.00 0.55 C ATOM 147 O THR A 12 -12.795 4.853 -7.372 1.00 0.64 O ATOM 148 CB THR A 12 -10.324 7.037 -8.082 1.00 0.61 C ATOM 149 OG1 THR A 12 -11.024 6.783 -9.306 1.00 1.28 O ATOM 150 CG2 THR A 12 -8.961 6.357 -8.128 1.00 1.23 C ATOM 0 H THR A 12 -9.542 6.163 -5.601 1.00 0.45 H new ATOM 0 HA THR A 12 -12.038 7.184 -6.792 1.00 0.50 H new ATOM 0 HB THR A 12 -10.169 8.109 -7.960 1.00 0.61 H new ATOM 0 HG1 THR A 12 -10.487 7.101 -10.062 1.00 1.28 H new ATOM 0 HG21 THR A 12 -8.398 6.728 -8.984 1.00 1.23 H new ATOM 0 HG22 THR A 12 -8.414 6.576 -7.211 1.00 1.23 H new ATOM 0 HG23 THR A 12 -9.095 5.279 -8.221 1.00 1.23 H new ATOM 158 N ASN A 13 -10.673 4.168 -7.083 1.00 0.56 N ATOM 159 CA ASN A 13 -10.985 2.763 -7.307 1.00 0.66 C ATOM 160 C ASN A 13 -11.166 2.031 -5.982 1.00 0.63 C ATOM 161 O ASN A 13 -10.551 2.385 -4.976 1.00 0.58 O ATOM 162 CB ASN A 13 -9.876 2.098 -8.125 1.00 0.73 C ATOM 163 CG ASN A 13 -9.467 2.930 -9.325 1.00 1.35 C ATOM 164 OD1 ASN A 13 -8.294 3.271 -9.488 1.00 2.05 O ATOM 165 ND2 ASN A 13 -10.433 3.263 -10.173 1.00 1.96 N ATOM 0 H ASN A 13 -9.690 4.356 -6.889 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.920 2.706 -7.864 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -9.007 1.932 -7.488 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -10.215 1.119 -8.463 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -10.217 3.823 -10.998 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -11.391 2.959 -9.999 1.00 1.96 H new ATOM 172 N THR A 14 -12.017 1.010 -5.986 1.00 0.74 N ATOM 173 CA THR A 14 -12.280 0.230 -4.783 1.00 0.78 C ATOM 174 C THR A 14 -11.251 -0.881 -4.611 1.00 0.76 C ATOM 175 O THR A 14 -11.097 -1.744 -5.479 1.00 0.78 O ATOM 176 CB THR A 14 -13.690 -0.389 -4.812 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.215 -0.351 -6.144 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.626 0.355 -3.873 1.00 1.15 C ATOM 0 H THR A 14 -12.536 0.704 -6.809 1.00 0.74 H new ATOM 0 HA THR A 14 -12.211 0.917 -3.940 1.00 0.78 H new ATOM 0 HB THR A 14 -13.615 -1.425 -4.481 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.111 -0.748 -6.154 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.616 -0.100 -3.910 1.00 1.15 H new ATOM 0 HG22 THR A 14 -14.240 0.300 -2.855 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.695 1.399 -4.179 1.00 1.15 H new ATOM 186 N GLU A 15 -10.571 -0.881 -3.469 1.00 0.76 N ATOM 187 CA GLU A 15 -9.579 -1.908 -3.173 1.00 0.77 C ATOM 188 C GLU A 15 -10.262 -3.221 -2.787 1.00 0.82 C ATOM 189 O GLU A 15 -9.613 -4.265 -2.696 1.00 0.82 O ATOM 190 CB GLU A 15 -8.662 -1.441 -2.042 1.00 0.79 C ATOM 191 CG GLU A 15 -8.135 -0.027 -2.230 1.00 1.35 C ATOM 192 CD GLU A 15 -8.277 0.818 -0.980 1.00 1.75 C ATOM 193 OE1 GLU A 15 -9.103 0.466 -0.114 1.00 2.50 O ATOM 194 OE2 GLU A 15 -7.558 1.834 -0.867 1.00 2.06 O ATOM 0 H GLU A 15 -10.688 -0.183 -2.735 1.00 0.76 H new ATOM 0 HA GLU A 15 -8.981 -2.080 -4.068 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.206 -1.495 -1.099 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -7.818 -2.127 -1.963 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -7.085 -0.070 -2.518 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -8.671 0.451 -3.050 1.00 1.35 H new ATOM 201 N LYS A 16 -11.579 -3.168 -2.587 1.00 0.88 N ATOM 202 CA LYS A 16 -12.343 -4.353 -2.236 1.00 0.95 C ATOM 203 C LYS A 16 -12.443 -5.300 -3.426 1.00 0.98 C ATOM 204 O LYS A 16 -12.773 -6.476 -3.266 1.00 1.01 O ATOM 205 CB LYS A 16 -13.746 -3.964 -1.765 1.00 1.04 C ATOM 206 CG LYS A 16 -13.790 -2.657 -0.991 1.00 1.44 C ATOM 207 CD LYS A 16 -14.802 -2.714 0.139 1.00 1.61 C ATOM 208 CE LYS A 16 -14.554 -1.617 1.163 1.00 2.37 C ATOM 209 NZ LYS A 16 -15.719 -0.701 1.291 1.00 2.83 N ATOM 0 H LYS A 16 -12.134 -2.315 -2.663 1.00 0.88 H new ATOM 0 HA LYS A 16 -11.824 -4.863 -1.424 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -14.402 -3.885 -2.632 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.143 -4.762 -1.137 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -12.802 -2.440 -0.585 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.044 -1.841 -1.667 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -15.809 -2.614 -0.267 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -14.750 -3.687 0.627 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -14.339 -2.067 2.132 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -13.672 -1.044 0.875 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -15.509 0.032 1.999 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -15.909 -0.251 0.373 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -16.555 -1.242 1.591 1.00 2.83 H new ATOM 223 N MET A 17 -12.162 -4.785 -4.623 1.00 0.98 N ATOM 224 CA MET A 17 -12.231 -5.599 -5.829 1.00 1.04 C ATOM 225 C MET A 17 -10.871 -5.688 -6.513 1.00 1.03 C ATOM 226 O MET A 17 -10.791 -5.938 -7.716 1.00 1.17 O ATOM 227 CB MET A 17 -13.266 -5.022 -6.797 1.00 1.21 C ATOM 228 CG MET A 17 -14.607 -4.728 -6.148 1.00 1.44 C ATOM 229 SD MET A 17 -15.646 -6.196 -6.007 1.00 1.83 S ATOM 230 CE MET A 17 -15.850 -6.632 -7.732 1.00 2.16 C ATOM 0 H MET A 17 -11.887 -3.815 -4.780 1.00 0.98 H new ATOM 0 HA MET A 17 -12.532 -6.605 -5.539 1.00 1.04 H new ATOM 0 HB2 MET A 17 -12.873 -4.103 -7.231 1.00 1.21 H new ATOM 0 HB3 MET A 17 -13.415 -5.724 -7.618 1.00 1.21 H new ATOM 0 HG2 MET A 17 -14.442 -4.308 -5.156 1.00 1.44 H new ATOM 0 HG3 MET A 17 -15.131 -3.971 -6.732 1.00 1.44 H new ATOM 0 HE1 MET A 17 -16.806 -7.137 -7.869 1.00 2.16 H new ATOM 0 HE2 MET A 17 -15.827 -5.728 -8.341 1.00 2.16 H new ATOM 0 HE3 MET A 17 -15.042 -7.296 -8.037 1.00 2.16 H new ATOM 240 N GLU A 18 -9.801 -5.486 -5.747 1.00 0.95 N ATOM 241 CA GLU A 18 -8.457 -5.552 -6.309 1.00 1.06 C ATOM 242 C GLU A 18 -7.387 -5.361 -5.239 1.00 0.96 C ATOM 243 O GLU A 18 -6.334 -4.780 -5.507 1.00 1.57 O ATOM 244 CB GLU A 18 -8.291 -4.497 -7.403 1.00 1.43 C ATOM 245 CG GLU A 18 -8.728 -3.104 -6.976 1.00 1.29 C ATOM 246 CD GLU A 18 -9.422 -2.343 -8.089 1.00 2.13 C ATOM 247 OE1 GLU A 18 -8.717 -1.809 -8.971 1.00 2.56 O ATOM 248 OE2 GLU A 18 -10.669 -2.282 -8.080 1.00 2.88 O ATOM 0 H GLU A 18 -9.838 -5.278 -4.749 1.00 0.95 H new ATOM 0 HA GLU A 18 -8.328 -6.546 -6.738 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -7.245 -4.463 -7.708 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -8.868 -4.798 -8.277 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -9.400 -3.184 -6.122 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -7.857 -2.540 -6.644 1.00 1.29 H new ATOM 255 N LYS A 19 -7.649 -5.848 -4.032 1.00 0.84 N ATOM 256 CA LYS A 19 -6.686 -5.714 -2.942 1.00 1.08 C ATOM 257 C LYS A 19 -6.937 -6.708 -1.807 1.00 0.87 C ATOM 258 O LYS A 19 -5.991 -7.177 -1.173 1.00 0.87 O ATOM 259 CB LYS A 19 -6.693 -4.289 -2.394 1.00 1.66 C ATOM 260 CG LYS A 19 -5.322 -3.625 -2.388 1.00 2.57 C ATOM 261 CD LYS A 19 -4.243 -4.538 -1.815 1.00 2.87 C ATOM 262 CE LYS A 19 -3.806 -4.089 -0.432 1.00 3.55 C ATOM 263 NZ LYS A 19 -2.340 -4.259 -0.232 1.00 4.14 N ATOM 0 H LYS A 19 -8.510 -6.335 -3.783 1.00 0.84 H new ATOM 0 HA LYS A 19 -5.706 -5.941 -3.362 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -7.377 -3.684 -2.990 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -7.084 -4.303 -1.377 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -5.053 -3.341 -3.405 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -5.367 -2.707 -1.802 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -4.620 -5.560 -1.764 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -3.382 -4.549 -2.483 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -4.073 -3.042 -0.289 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -4.345 -4.662 0.323 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -2.169 -5.028 0.447 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -1.891 -4.493 -1.140 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -1.935 -3.375 0.137 1.00 4.14 H new ATOM 277 N ARG A 20 -8.203 -7.033 -1.540 1.00 0.98 N ATOM 278 CA ARG A 20 -8.537 -7.972 -0.468 1.00 0.92 C ATOM 279 C ARG A 20 -8.513 -9.421 -0.956 1.00 0.94 C ATOM 280 O ARG A 20 -9.373 -10.222 -0.586 1.00 1.30 O ATOM 281 CB ARG A 20 -9.915 -7.648 0.114 1.00 0.95 C ATOM 282 CG ARG A 20 -11.027 -7.649 -0.922 1.00 1.64 C ATOM 283 CD ARG A 20 -12.051 -8.736 -0.639 1.00 2.15 C ATOM 284 NE ARG A 20 -12.977 -8.353 0.424 1.00 2.67 N ATOM 285 CZ ARG A 20 -14.064 -9.049 0.741 1.00 3.29 C ATOM 286 NH1 ARG A 20 -14.353 -10.165 0.085 1.00 3.51 N ATOM 287 NH2 ARG A 20 -14.860 -8.631 1.716 1.00 4.11 N ATOM 0 H ARG A 20 -9.008 -6.664 -2.046 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.779 -7.863 0.307 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -10.152 -8.375 0.891 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.877 -6.670 0.594 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -11.520 -6.677 -0.929 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -10.601 -7.798 -1.914 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -12.612 -8.951 -1.548 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -11.536 -9.655 -0.358 1.00 2.15 H new ATOM 0 HE ARG A 20 -12.778 -7.504 0.953 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -13.741 -10.490 -0.663 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -15.187 -10.698 0.329 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -14.638 -7.774 2.224 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -15.694 -9.166 1.958 1.00 4.11 H new ATOM 301 N LEU A 21 -7.527 -9.752 -1.783 1.00 1.59 N ATOM 302 CA LEU A 21 -7.402 -11.103 -2.312 1.00 1.80 C ATOM 303 C LEU A 21 -6.654 -12.004 -1.333 1.00 1.48 C ATOM 304 O LEU A 21 -5.426 -12.063 -1.342 1.00 2.41 O ATOM 305 CB LEU A 21 -6.676 -11.079 -3.660 1.00 3.05 C ATOM 306 CG LEU A 21 -7.068 -9.928 -4.586 1.00 3.76 C ATOM 307 CD1 LEU A 21 -6.051 -9.774 -5.706 1.00 4.55 C ATOM 308 CD2 LEU A 21 -8.461 -10.151 -5.155 1.00 4.31 C ATOM 0 H LEU A 21 -6.805 -9.105 -2.100 1.00 1.59 H new ATOM 0 HA LEU A 21 -8.405 -11.506 -2.454 1.00 1.80 H new ATOM 0 HB2 LEU A 21 -5.603 -11.028 -3.476 1.00 3.05 H new ATOM 0 HB3 LEU A 21 -6.867 -12.021 -4.175 1.00 3.05 H new ATOM 0 HG LEU A 21 -7.079 -9.007 -4.004 1.00 3.76 H new ATOM 0 HD11 LEU A 21 -6.347 -8.950 -6.355 1.00 4.55 H new ATOM 0 HD12 LEU A 21 -5.069 -9.566 -5.280 1.00 4.55 H new ATOM 0 HD13 LEU A 21 -6.007 -10.695 -6.287 1.00 4.55 H new ATOM 0 HD21 LEU A 21 -8.723 -9.321 -5.812 1.00 4.31 H new ATOM 0 HD22 LEU A 21 -8.478 -11.082 -5.722 1.00 4.31 H new ATOM 0 HD23 LEU A 21 -9.182 -10.210 -4.340 1.00 4.31 H new ATOM 320 N HIS A 22 -7.409 -12.703 -0.491 1.00 0.87 N ATOM 321 CA HIS A 22 -6.830 -13.603 0.499 1.00 1.59 C ATOM 322 C HIS A 22 -5.838 -14.568 -0.143 1.00 1.16 C ATOM 323 O HIS A 22 -4.954 -15.096 0.528 1.00 1.19 O ATOM 324 CB HIS A 22 -7.937 -14.385 1.208 1.00 2.66 C ATOM 325 CG HIS A 22 -8.797 -15.189 0.280 1.00 3.21 C ATOM 326 ND1 HIS A 22 -9.468 -16.329 0.671 1.00 4.07 N ATOM 327 CD2 HIS A 22 -9.093 -15.011 -1.030 1.00 3.32 C ATOM 328 CE1 HIS A 22 -10.140 -16.816 -0.357 1.00 4.62 C ATOM 329 NE2 HIS A 22 -9.930 -16.036 -1.400 1.00 4.23 N ATOM 0 H HIS A 22 -8.428 -12.662 -0.475 1.00 0.87 H new ATOM 0 HA HIS A 22 -6.290 -12.999 1.229 1.00 1.59 H new ATOM 0 HB2 HIS A 22 -7.485 -15.053 1.941 1.00 2.66 H new ATOM 0 HB3 HIS A 22 -8.567 -13.687 1.759 1.00 2.66 H new ATOM 0 HD2 HIS A 22 -8.738 -14.213 -1.665 1.00 3.32 H new ATOM 0 HE1 HIS A 22 -10.757 -17.702 -0.345 1.00 4.62 H new ATOM 0 HE2 HIS A 22 -10.325 -16.172 -2.331 1.00 4.23 H new ATOM 338 N ALA A 23 -5.985 -14.798 -1.438 1.00 1.06 N ATOM 339 CA ALA A 23 -5.092 -15.706 -2.148 1.00 0.93 C ATOM 340 C ALA A 23 -3.817 -14.996 -2.597 1.00 0.84 C ATOM 341 O ALA A 23 -3.843 -14.174 -3.511 1.00 0.97 O ATOM 342 CB ALA A 23 -5.806 -16.319 -3.341 1.00 1.21 C ATOM 0 H ALA A 23 -6.709 -14.373 -2.018 1.00 1.06 H new ATOM 0 HA ALA A 23 -4.805 -16.501 -1.460 1.00 0.93 H new ATOM 0 HB1 ALA A 23 -5.128 -16.995 -3.863 1.00 1.21 H new ATOM 0 HB2 ALA A 23 -6.679 -16.874 -2.997 1.00 1.21 H new ATOM 0 HB3 ALA A 23 -6.124 -15.528 -4.021 1.00 1.21 H new ATOM 348 N VAL A 24 -2.699 -15.329 -1.954 1.00 0.78 N ATOM 349 CA VAL A 24 -1.413 -14.730 -2.298 1.00 0.74 C ATOM 350 C VAL A 24 -0.318 -15.796 -2.377 1.00 0.68 C ATOM 351 O VAL A 24 -0.259 -16.702 -1.543 1.00 0.77 O ATOM 352 CB VAL A 24 -0.998 -13.644 -1.282 1.00 0.81 C ATOM 353 CG1 VAL A 24 -0.819 -14.239 0.104 1.00 1.32 C ATOM 354 CG2 VAL A 24 0.276 -12.946 -1.737 1.00 1.30 C ATOM 0 H VAL A 24 -2.659 -16.008 -1.194 1.00 0.78 H new ATOM 0 HA VAL A 24 -1.533 -14.262 -3.275 1.00 0.74 H new ATOM 0 HB VAL A 24 -1.796 -12.903 -1.230 1.00 0.81 H new ATOM 0 HG11 VAL A 24 -0.527 -13.454 0.802 1.00 1.32 H new ATOM 0 HG12 VAL A 24 -1.758 -14.685 0.432 1.00 1.32 H new ATOM 0 HG13 VAL A 24 -0.044 -15.005 0.074 1.00 1.32 H new ATOM 0 HG21 VAL A 24 0.553 -12.184 -1.009 1.00 1.30 H new ATOM 0 HG22 VAL A 24 1.081 -13.676 -1.822 1.00 1.30 H new ATOM 0 HG23 VAL A 24 0.108 -12.477 -2.707 1.00 1.30 H new ATOM 364 N PRO A 25 0.559 -15.714 -3.393 1.00 0.61 N ATOM 365 CA PRO A 25 1.643 -16.682 -3.581 1.00 0.63 C ATOM 366 C PRO A 25 2.839 -16.419 -2.672 1.00 0.57 C ATOM 367 O PRO A 25 3.361 -15.304 -2.626 1.00 0.52 O ATOM 368 CB PRO A 25 2.030 -16.475 -5.044 1.00 0.72 C ATOM 369 CG PRO A 25 1.744 -15.036 -5.302 1.00 0.71 C ATOM 370 CD PRO A 25 0.557 -14.679 -4.446 1.00 0.65 C ATOM 0 HA PRO A 25 1.331 -17.697 -3.336 1.00 0.63 H new ATOM 0 HB2 PRO A 25 3.081 -16.708 -5.214 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.450 -17.120 -5.704 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.605 -14.417 -5.049 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.528 -14.866 -6.357 1.00 0.71 H new ATOM 0 HD2 PRO A 25 0.654 -13.679 -4.024 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.369 -14.694 -5.020 1.00 0.65 H new ATOM 378 N ALA A 26 3.274 -17.452 -1.955 1.00 0.61 N ATOM 379 CA ALA A 26 4.415 -17.330 -1.056 1.00 0.60 C ATOM 380 C ALA A 26 5.715 -17.183 -1.841 1.00 0.54 C ATOM 381 O ALA A 26 5.863 -17.749 -2.925 1.00 0.58 O ATOM 382 CB ALA A 26 4.488 -18.535 -0.128 1.00 0.71 C ATOM 0 H ALA A 26 2.853 -18.381 -1.980 1.00 0.61 H new ATOM 0 HA ALA A 26 4.280 -16.431 -0.454 1.00 0.60 H new ATOM 0 HB1 ALA A 26 5.345 -18.430 0.538 1.00 0.71 H new ATOM 0 HB2 ALA A 26 3.574 -18.595 0.463 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.597 -19.444 -0.720 1.00 0.71 H new ATOM 388 N ALA A 27 6.655 -16.419 -1.291 1.00 0.50 N ATOM 389 CA ALA A 27 7.939 -16.197 -1.945 1.00 0.48 C ATOM 390 C ALA A 27 7.771 -15.420 -3.248 1.00 0.43 C ATOM 391 O ALA A 27 8.630 -15.475 -4.130 1.00 0.46 O ATOM 392 CB ALA A 27 8.635 -17.525 -2.206 1.00 0.55 C ATOM 0 H ALA A 27 6.551 -15.944 -0.394 1.00 0.50 H new ATOM 0 HA ALA A 27 8.558 -15.599 -1.276 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.592 -17.344 -2.695 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.802 -18.040 -1.260 1.00 0.55 H new ATOM 0 HB3 ALA A 27 8.010 -18.143 -2.850 1.00 0.55 H new ATOM 398 N ASN A 28 6.664 -14.694 -3.362 1.00 0.39 N ATOM 399 CA ASN A 28 6.381 -13.903 -4.554 1.00 0.36 C ATOM 400 C ASN A 28 6.180 -12.436 -4.189 1.00 0.30 C ATOM 401 O ASN A 28 6.046 -12.094 -3.014 1.00 0.29 O ATOM 402 CB ASN A 28 5.138 -14.438 -5.266 1.00 0.40 C ATOM 403 CG ASN A 28 5.471 -15.113 -6.582 1.00 0.77 C ATOM 404 OD1 ASN A 28 4.748 -14.967 -7.567 1.00 1.42 O ATOM 405 ND2 ASN A 28 6.570 -15.857 -6.604 1.00 1.36 N ATOM 0 H ASN A 28 5.946 -14.637 -2.640 1.00 0.39 H new ATOM 0 HA ASN A 28 7.235 -13.982 -5.227 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.628 -15.148 -4.616 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.445 -13.617 -5.447 1.00 0.40 H new ATOM 0 HD21 ASN A 28 6.845 -16.336 -7.462 1.00 1.36 H new ATOM 0 HD22 ASN A 28 7.140 -15.950 -5.763 1.00 1.36 H new ATOM 412 N THR A 29 6.155 -11.570 -5.198 1.00 0.30 N ATOM 413 CA THR A 29 5.965 -10.142 -4.962 1.00 0.28 C ATOM 414 C THR A 29 4.490 -9.834 -4.738 1.00 0.30 C ATOM 415 O THR A 29 3.618 -10.466 -5.335 1.00 0.33 O ATOM 416 CB THR A 29 6.493 -9.284 -6.132 1.00 0.32 C ATOM 417 OG1 THR A 29 5.458 -9.078 -7.102 1.00 0.96 O ATOM 418 CG2 THR A 29 7.693 -9.939 -6.802 1.00 0.92 C ATOM 0 H THR A 29 6.263 -11.829 -6.179 1.00 0.30 H new ATOM 0 HA THR A 29 6.538 -9.888 -4.070 1.00 0.28 H new ATOM 0 HB THR A 29 6.807 -8.324 -5.723 1.00 0.32 H new ATOM 0 HG1 THR A 29 5.804 -8.531 -7.838 1.00 0.96 H new ATOM 0 HG21 THR A 29 8.041 -9.310 -7.621 1.00 0.92 H new ATOM 0 HG22 THR A 29 8.494 -10.062 -6.073 1.00 0.92 H new ATOM 0 HG23 THR A 29 7.404 -10.915 -7.191 1.00 0.92 H new ATOM 426 N VAL A 30 4.212 -8.884 -3.852 1.00 0.33 N ATOM 427 CA VAL A 30 2.836 -8.530 -3.531 1.00 0.39 C ATOM 428 C VAL A 30 2.378 -7.243 -4.209 1.00 0.35 C ATOM 429 O VAL A 30 3.033 -6.204 -4.124 1.00 0.35 O ATOM 430 CB VAL A 30 2.643 -8.390 -2.010 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.167 -8.244 -1.672 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.249 -9.582 -1.285 1.00 0.57 C ATOM 0 H VAL A 30 4.917 -8.348 -3.346 1.00 0.33 H new ATOM 0 HA VAL A 30 2.223 -9.347 -3.912 1.00 0.39 H new ATOM 0 HB VAL A 30 3.159 -7.490 -1.676 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.049 -8.146 -0.593 1.00 0.56 H new ATOM 0 HG12 VAL A 30 0.767 -7.357 -2.163 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.626 -9.125 -2.018 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.104 -9.467 -0.211 1.00 0.57 H new ATOM 0 HG22 VAL A 30 2.763 -10.498 -1.621 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.316 -9.637 -1.503 1.00 0.57 H new ATOM 442 N LYS A 31 1.225 -7.333 -4.864 1.00 0.34 N ATOM 443 CA LYS A 31 0.627 -6.191 -5.548 1.00 0.33 C ATOM 444 C LYS A 31 -0.154 -5.343 -4.546 1.00 0.33 C ATOM 445 O LYS A 31 -1.079 -5.833 -3.896 1.00 0.38 O ATOM 446 CB LYS A 31 -0.291 -6.669 -6.682 1.00 0.38 C ATOM 447 CG LYS A 31 -1.240 -5.603 -7.211 1.00 0.60 C ATOM 448 CD LYS A 31 -2.542 -5.588 -6.427 1.00 0.82 C ATOM 449 CE LYS A 31 -3.733 -5.901 -7.319 1.00 1.34 C ATOM 450 NZ LYS A 31 -3.586 -7.217 -7.998 1.00 1.98 N ATOM 0 H LYS A 31 0.682 -8.193 -4.936 1.00 0.34 H new ATOM 0 HA LYS A 31 1.418 -5.582 -5.985 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.326 -7.031 -7.505 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.877 -7.517 -6.327 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.763 -4.625 -7.148 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -1.449 -5.789 -8.265 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.490 -6.317 -5.619 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.679 -4.610 -5.965 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -4.644 -5.901 -6.721 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.842 -5.116 -8.068 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -4.527 -7.615 -8.192 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -3.073 -7.090 -8.894 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -3.055 -7.867 -7.384 1.00 1.98 H new ATOM 464 N PHE A 32 0.226 -4.077 -4.410 1.00 0.31 N ATOM 465 CA PHE A 32 -0.441 -3.185 -3.471 1.00 0.35 C ATOM 466 C PHE A 32 -1.136 -2.036 -4.201 1.00 0.32 C ATOM 467 O PHE A 32 -0.497 -1.252 -4.901 1.00 0.32 O ATOM 468 CB PHE A 32 0.591 -2.645 -2.478 1.00 0.44 C ATOM 469 CG PHE A 32 0.004 -2.119 -1.201 1.00 0.90 C ATOM 470 CD1 PHE A 32 -0.911 -1.081 -1.218 1.00 1.64 C ATOM 471 CD2 PHE A 32 0.379 -2.660 0.019 1.00 1.21 C ATOM 472 CE1 PHE A 32 -1.446 -0.593 -0.041 1.00 2.28 C ATOM 473 CE2 PHE A 32 -0.153 -2.177 1.198 1.00 1.91 C ATOM 474 CZ PHE A 32 -1.066 -1.142 1.169 1.00 2.35 C ATOM 0 H PHE A 32 0.988 -3.648 -4.935 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.209 -3.743 -2.935 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.298 -3.439 -2.239 1.00 0.44 H new ATOM 0 HB3 PHE A 32 1.158 -1.848 -2.959 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -1.210 -0.648 -2.161 1.00 1.64 H new ATOM 0 HD2 PHE A 32 1.095 -3.468 0.048 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -2.160 0.217 -0.067 1.00 2.28 H new ATOM 0 HE2 PHE A 32 0.145 -2.609 2.142 1.00 1.91 H new ATOM 0 HZ PHE A 32 -1.483 -0.762 2.090 1.00 2.35 H new ATOM 484 N ARG A 33 -2.455 -1.963 -4.053 1.00 0.36 N ATOM 485 CA ARG A 33 -3.239 -0.925 -4.719 1.00 0.39 C ATOM 486 C ARG A 33 -3.888 0.034 -3.724 1.00 0.40 C ATOM 487 O ARG A 33 -4.536 -0.383 -2.764 1.00 0.43 O ATOM 488 CB ARG A 33 -4.312 -1.554 -5.610 1.00 0.47 C ATOM 489 CG ARG A 33 -4.076 -1.326 -7.095 1.00 0.80 C ATOM 490 CD ARG A 33 -2.890 -2.130 -7.604 1.00 0.53 C ATOM 491 NE ARG A 33 -2.869 -2.208 -9.063 1.00 1.09 N ATOM 492 CZ ARG A 33 -1.799 -2.560 -9.769 1.00 1.56 C ATOM 493 NH1 ARG A 33 -0.663 -2.862 -9.153 1.00 2.10 N ATOM 494 NH2 ARG A 33 -1.863 -2.611 -11.093 1.00 2.12 N ATOM 0 H ARG A 33 -3.003 -2.606 -3.481 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.548 -0.348 -5.334 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.351 -2.626 -5.417 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -5.285 -1.145 -5.338 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -4.970 -1.603 -7.653 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -3.903 -0.266 -7.278 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.965 -1.674 -7.252 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -2.928 -3.137 -7.187 1.00 0.53 H new ATOM 0 HE ARG A 33 -3.725 -1.979 -9.569 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -0.609 -2.824 -8.135 1.00 2.10 H new ATOM 0 HH12 ARG A 33 0.156 -3.132 -9.697 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -2.734 -2.380 -11.571 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -1.041 -2.881 -11.633 1.00 2.12 H new ATOM 508 N CYS A 34 -3.715 1.326 -3.983 1.00 0.39 N ATOM 509 CA CYS A 34 -4.286 2.372 -3.140 1.00 0.41 C ATOM 510 C CYS A 34 -4.456 3.666 -3.936 1.00 0.41 C ATOM 511 O CYS A 34 -3.911 4.708 -3.575 1.00 0.47 O ATOM 512 CB CYS A 34 -3.406 2.612 -1.910 1.00 0.44 C ATOM 513 SG CYS A 34 -4.323 2.593 -0.333 1.00 0.94 S ATOM 0 H CYS A 34 -3.179 1.676 -4.777 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.268 2.043 -2.801 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.629 1.849 -1.877 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.904 3.574 -2.016 1.00 0.44 H new ATOM 518 N PRO A 35 -5.213 3.609 -5.047 1.00 0.41 N ATOM 519 CA PRO A 35 -5.450 4.776 -5.909 1.00 0.44 C ATOM 520 C PRO A 35 -6.340 5.829 -5.255 1.00 0.34 C ATOM 521 O PRO A 35 -7.447 5.532 -4.804 1.00 0.34 O ATOM 522 CB PRO A 35 -6.143 4.176 -7.133 1.00 0.57 C ATOM 523 CG PRO A 35 -6.795 2.936 -6.630 1.00 0.54 C ATOM 524 CD PRO A 35 -5.894 2.400 -5.554 1.00 0.44 C ATOM 0 HA PRO A 35 -4.523 5.302 -6.136 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -6.875 4.866 -7.551 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.427 3.954 -7.924 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.788 3.150 -6.236 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -6.920 2.208 -7.432 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.460 1.898 -4.769 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.183 1.674 -5.949 1.00 0.44 H new ATOM 532 N ALA A 36 -5.850 7.066 -5.219 1.00 0.35 N ATOM 533 CA ALA A 36 -6.598 8.171 -4.627 1.00 0.33 C ATOM 534 C ALA A 36 -6.266 9.489 -5.317 1.00 0.32 C ATOM 535 O ALA A 36 -5.195 10.059 -5.108 1.00 0.38 O ATOM 536 CB ALA A 36 -6.311 8.265 -3.137 1.00 0.40 C ATOM 0 H ALA A 36 -4.938 7.328 -5.593 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.661 7.975 -4.768 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.876 9.093 -2.709 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.606 7.335 -2.650 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.245 8.434 -2.982 1.00 0.40 H new ATOM 542 N GLY A 37 -7.193 9.972 -6.139 1.00 0.33 N ATOM 543 CA GLY A 37 -6.981 11.222 -6.849 1.00 0.36 C ATOM 544 C GLY A 37 -6.996 12.424 -5.925 1.00 0.35 C ATOM 545 O GLY A 37 -7.864 12.538 -5.058 1.00 0.37 O ATOM 0 H GLY A 37 -8.088 9.520 -6.327 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -6.025 11.182 -7.372 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -7.755 11.341 -7.608 1.00 0.36 H new ATOM 549 N GLY A 38 -6.036 13.322 -6.111 1.00 0.36 N ATOM 550 CA GLY A 38 -5.959 14.511 -5.282 1.00 0.39 C ATOM 551 C GLY A 38 -4.683 15.292 -5.505 1.00 0.37 C ATOM 552 O GLY A 38 -4.332 15.606 -6.643 1.00 0.42 O ATOM 0 H GLY A 38 -5.308 13.248 -6.822 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.815 15.152 -5.492 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -6.026 14.223 -4.233 1.00 0.39 H new ATOM 556 N ASN A 39 -3.988 15.615 -4.419 1.00 0.40 N ATOM 557 CA ASN A 39 -2.746 16.376 -4.515 1.00 0.47 C ATOM 558 C ASN A 39 -1.618 15.561 -5.149 1.00 0.36 C ATOM 559 O ASN A 39 -1.703 14.338 -5.259 1.00 0.34 O ATOM 560 CB ASN A 39 -2.312 16.844 -3.120 1.00 0.70 C ATOM 561 CG ASN A 39 -1.545 15.784 -2.331 1.00 2.04 C ATOM 562 OD1 ASN A 39 -0.557 16.087 -1.666 1.00 2.41 O ATOM 563 ND2 ASN A 39 -1.993 14.535 -2.405 1.00 2.89 N ATOM 0 H ASN A 39 -4.260 15.364 -3.469 1.00 0.40 H new ATOM 0 HA ASN A 39 -2.941 17.235 -5.157 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -1.688 17.732 -3.222 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -3.195 17.138 -2.553 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -1.513 13.790 -1.899 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -2.817 14.321 -2.967 1.00 2.89 H new ATOM 570 N PRO A 40 -0.526 16.242 -5.535 1.00 0.39 N ATOM 571 CA PRO A 40 0.645 15.605 -6.112 1.00 0.39 C ATOM 572 C PRO A 40 1.667 15.225 -5.037 1.00 0.34 C ATOM 573 O PRO A 40 2.710 14.643 -5.338 1.00 0.40 O ATOM 574 CB PRO A 40 1.196 16.705 -7.009 1.00 0.51 C ATOM 575 CG PRO A 40 0.879 17.974 -6.284 1.00 0.52 C ATOM 576 CD PRO A 40 -0.326 17.697 -5.410 1.00 0.53 C ATOM 0 HA PRO A 40 0.417 14.674 -6.632 1.00 0.39 H new ATOM 0 HB2 PRO A 40 2.269 16.592 -7.161 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.730 16.684 -7.994 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.728 18.295 -5.680 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.667 18.778 -6.989 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.145 17.988 -4.375 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.201 18.251 -5.749 1.00 0.53 H new ATOM 584 N MET A 41 1.361 15.562 -3.778 1.00 0.31 N ATOM 585 CA MET A 41 2.248 15.261 -2.659 1.00 0.33 C ATOM 586 C MET A 41 1.576 14.314 -1.668 1.00 0.32 C ATOM 587 O MET A 41 1.142 14.735 -0.594 1.00 0.36 O ATOM 588 CB MET A 41 2.633 16.556 -1.938 1.00 0.39 C ATOM 589 CG MET A 41 3.715 16.372 -0.889 1.00 0.47 C ATOM 590 SD MET A 41 5.376 16.489 -1.580 1.00 1.30 S ATOM 591 CE MET A 41 6.367 16.447 -0.089 1.00 1.83 C ATOM 0 H MET A 41 0.502 16.045 -3.513 1.00 0.31 H new ATOM 0 HA MET A 41 3.141 14.777 -3.055 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.973 17.284 -2.674 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.746 16.974 -1.463 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.595 17.127 -0.112 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.592 15.400 -0.411 1.00 0.47 H new ATOM 0 HE1 MET A 41 7.423 16.511 -0.352 1.00 1.83 H new ATOM 0 HE2 MET A 41 6.100 17.290 0.549 1.00 1.83 H new ATOM 0 HE3 MET A 41 6.182 15.515 0.445 1.00 1.83 H new ATOM 601 N PRO A 42 1.473 13.019 -2.011 1.00 0.32 N ATOM 602 CA PRO A 42 0.848 12.025 -1.152 1.00 0.34 C ATOM 603 C PRO A 42 1.839 11.357 -0.207 1.00 0.35 C ATOM 604 O PRO A 42 2.872 10.843 -0.636 1.00 0.43 O ATOM 605 CB PRO A 42 0.313 11.019 -2.164 1.00 0.40 C ATOM 606 CG PRO A 42 1.298 11.054 -3.290 1.00 0.42 C ATOM 607 CD PRO A 42 1.950 12.419 -3.269 1.00 0.36 C ATOM 0 HA PRO A 42 0.093 12.455 -0.495 1.00 0.34 H new ATOM 0 HB2 PRO A 42 0.242 10.021 -1.731 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -0.686 11.292 -2.503 1.00 0.40 H new ATOM 0 HG2 PRO A 42 2.045 10.269 -3.173 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.799 10.880 -4.243 1.00 0.42 H new ATOM 0 HD2 PRO A 42 3.037 12.343 -3.289 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.657 13.015 -4.133 1.00 0.36 H new ATOM 615 N THR A 43 1.508 11.354 1.080 1.00 0.32 N ATOM 616 CA THR A 43 2.359 10.734 2.086 1.00 0.35 C ATOM 617 C THR A 43 1.633 9.562 2.733 1.00 0.37 C ATOM 618 O THR A 43 0.712 9.754 3.526 1.00 0.48 O ATOM 619 CB THR A 43 2.774 11.737 3.179 1.00 0.41 C ATOM 620 OG1 THR A 43 3.261 12.943 2.578 1.00 0.94 O ATOM 621 CG2 THR A 43 3.850 11.141 4.074 1.00 1.00 C ATOM 0 H THR A 43 0.656 11.775 1.450 1.00 0.32 H new ATOM 0 HA THR A 43 3.260 10.384 1.581 1.00 0.35 H new ATOM 0 HB THR A 43 1.899 11.963 3.788 1.00 0.41 H new ATOM 0 HG1 THR A 43 3.521 13.576 3.279 1.00 0.94 H new ATOM 0 HG21 THR A 43 4.129 11.865 4.839 1.00 1.00 H new ATOM 0 HG22 THR A 43 3.468 10.238 4.551 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.725 10.892 3.474 1.00 1.00 H new ATOM 629 N MET A 44 2.033 8.350 2.372 1.00 0.35 N ATOM 630 CA MET A 44 1.392 7.155 2.904 1.00 0.41 C ATOM 631 C MET A 44 2.371 6.264 3.662 1.00 0.38 C ATOM 632 O MET A 44 3.565 6.227 3.364 1.00 0.40 O ATOM 633 CB MET A 44 0.747 6.360 1.767 1.00 0.49 C ATOM 634 CG MET A 44 1.690 6.083 0.609 1.00 0.86 C ATOM 635 SD MET A 44 1.115 4.742 -0.450 1.00 1.82 S ATOM 636 CE MET A 44 -0.039 5.614 -1.506 1.00 2.30 C ATOM 0 H MET A 44 2.794 8.169 1.717 1.00 0.35 H new ATOM 0 HA MET A 44 0.629 7.482 3.610 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.379 5.412 2.160 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.119 6.909 1.397 1.00 0.49 H new ATOM 0 HG2 MET A 44 1.803 6.989 0.013 1.00 0.86 H new ATOM 0 HG3 MET A 44 2.676 5.834 1.000 1.00 0.86 H new ATOM 0 HE1 MET A 44 -0.479 4.916 -2.218 1.00 2.30 H new ATOM 0 HE2 MET A 44 -0.827 6.056 -0.897 1.00 2.30 H new ATOM 0 HE3 MET A 44 0.486 6.401 -2.047 1.00 2.30 H new ATOM 646 N ARG A 45 1.834 5.531 4.631 1.00 0.36 N ATOM 647 CA ARG A 45 2.615 4.605 5.437 1.00 0.34 C ATOM 648 C ARG A 45 2.146 3.180 5.163 1.00 0.32 C ATOM 649 O ARG A 45 1.003 2.969 4.755 1.00 0.34 O ATOM 650 CB ARG A 45 2.472 4.934 6.924 1.00 0.37 C ATOM 651 CG ARG A 45 2.976 6.318 7.293 1.00 0.66 C ATOM 652 CD ARG A 45 1.857 7.195 7.831 1.00 0.88 C ATOM 653 NE ARG A 45 1.101 6.530 8.889 1.00 1.57 N ATOM 654 CZ ARG A 45 1.553 6.373 10.129 1.00 2.04 C ATOM 655 NH1 ARG A 45 2.753 6.827 10.462 1.00 2.22 N ATOM 656 NH2 ARG A 45 0.805 5.760 11.036 1.00 2.89 N ATOM 0 H ARG A 45 0.845 5.563 4.878 1.00 0.36 H new ATOM 0 HA ARG A 45 3.668 4.698 5.169 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.422 4.852 7.206 1.00 0.37 H new ATOM 0 HB3 ARG A 45 3.018 4.191 7.506 1.00 0.37 H new ATOM 0 HG2 ARG A 45 3.763 6.232 8.042 1.00 0.66 H new ATOM 0 HG3 ARG A 45 3.420 6.790 6.417 1.00 0.66 H new ATOM 0 HD2 ARG A 45 2.278 8.124 8.215 1.00 0.88 H new ATOM 0 HD3 ARG A 45 1.183 7.463 7.017 1.00 0.88 H new ATOM 0 HE ARG A 45 0.175 6.166 8.664 1.00 1.57 H new ATOM 0 HH11 ARG A 45 3.331 7.298 9.766 1.00 2.22 H new ATOM 0 HH12 ARG A 45 3.098 6.706 11.414 1.00 2.22 H new ATOM 0 HH21 ARG A 45 -0.118 5.408 10.782 1.00 2.89 H new ATOM 0 HH22 ARG A 45 1.153 5.640 11.987 1.00 2.89 H new ATOM 670 N TRP A 46 3.020 2.203 5.371 1.00 0.31 N ATOM 671 CA TRP A 46 2.656 0.814 5.121 1.00 0.31 C ATOM 672 C TRP A 46 2.798 -0.045 6.371 1.00 0.26 C ATOM 673 O TRP A 46 3.886 -0.169 6.940 1.00 0.29 O ATOM 674 CB TRP A 46 3.507 0.245 3.986 1.00 0.39 C ATOM 675 CG TRP A 46 3.335 0.992 2.698 1.00 0.70 C ATOM 676 CD1 TRP A 46 2.204 1.057 1.937 1.00 1.52 C ATOM 677 CD2 TRP A 46 4.319 1.783 2.022 1.00 1.34 C ATOM 678 NE1 TRP A 46 2.423 1.843 0.831 1.00 1.62 N ATOM 679 CE2 TRP A 46 3.715 2.299 0.861 1.00 1.46 C ATOM 680 CE3 TRP A 46 5.652 2.109 2.289 1.00 2.43 C ATOM 681 CZ2 TRP A 46 4.397 3.119 -0.033 1.00 2.14 C ATOM 682 CZ3 TRP A 46 6.329 2.923 1.399 1.00 3.28 C ATOM 683 CH2 TRP A 46 5.702 3.421 0.252 1.00 3.02 C ATOM 0 H TRP A 46 3.973 2.343 5.707 1.00 0.31 H new ATOM 0 HA TRP A 46 1.606 0.794 4.830 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.557 0.271 4.278 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.245 -0.802 3.831 1.00 0.39 H new ATOM 0 HD1 TRP A 46 1.272 0.563 2.170 1.00 1.52 H new ATOM 0 HE1 TRP A 46 1.736 2.053 0.106 1.00 1.62 H new ATOM 0 HE3 TRP A 46 6.144 1.732 3.174 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 3.915 3.503 -0.920 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 7.360 3.179 1.593 1.00 3.28 H new ATOM 0 HH2 TRP A 46 6.258 4.056 -0.422 1.00 3.02 H new ATOM 694 N LEU A 47 1.683 -0.646 6.783 1.00 0.25 N ATOM 695 CA LEU A 47 1.654 -1.509 7.956 1.00 0.26 C ATOM 696 C LEU A 47 1.003 -2.847 7.619 1.00 0.24 C ATOM 697 O LEU A 47 -0.129 -2.891 7.136 1.00 0.31 O ATOM 698 CB LEU A 47 0.895 -0.831 9.099 1.00 0.37 C ATOM 699 CG LEU A 47 1.503 -1.029 10.489 1.00 0.80 C ATOM 700 CD1 LEU A 47 2.410 0.138 10.846 1.00 1.58 C ATOM 701 CD2 LEU A 47 0.406 -1.190 11.531 1.00 1.53 C ATOM 0 H LEU A 47 0.782 -0.548 6.315 1.00 0.25 H new ATOM 0 HA LEU A 47 2.681 -1.689 8.274 1.00 0.26 H new ATOM 0 HB2 LEU A 47 0.838 0.238 8.893 1.00 0.37 H new ATOM 0 HB3 LEU A 47 -0.128 -1.208 9.110 1.00 0.37 H new ATOM 0 HG LEU A 47 2.103 -1.939 10.476 1.00 0.80 H new ATOM 0 HD11 LEU A 47 2.833 -0.020 11.838 1.00 1.58 H new ATOM 0 HD12 LEU A 47 3.215 0.210 10.115 1.00 1.58 H new ATOM 0 HD13 LEU A 47 1.832 1.062 10.841 1.00 1.58 H new ATOM 0 HD21 LEU A 47 0.856 -1.330 12.514 1.00 1.53 H new ATOM 0 HD22 LEU A 47 -0.219 -0.297 11.542 1.00 1.53 H new ATOM 0 HD23 LEU A 47 -0.205 -2.058 11.285 1.00 1.53 H new ATOM 713 N LYS A 48 1.727 -3.930 7.866 1.00 0.22 N ATOM 714 CA LYS A 48 1.226 -5.267 7.583 1.00 0.25 C ATOM 715 C LYS A 48 1.295 -6.157 8.819 1.00 0.26 C ATOM 716 O LYS A 48 2.362 -6.346 9.401 1.00 0.31 O ATOM 717 CB LYS A 48 2.025 -5.898 6.439 1.00 0.34 C ATOM 718 CG LYS A 48 3.531 -5.728 6.580 1.00 0.41 C ATOM 719 CD LYS A 48 4.240 -7.072 6.601 1.00 0.88 C ATOM 720 CE LYS A 48 4.641 -7.514 5.201 1.00 0.73 C ATOM 721 NZ LYS A 48 3.566 -7.251 4.206 1.00 1.37 N ATOM 0 H LYS A 48 2.666 -3.908 8.263 1.00 0.22 H new ATOM 0 HA LYS A 48 0.181 -5.178 7.287 1.00 0.25 H new ATOM 0 HB2 LYS A 48 1.791 -6.961 6.387 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.705 -5.455 5.496 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.910 -5.128 5.753 1.00 0.41 H new ATOM 0 HG3 LYS A 48 3.753 -5.183 7.498 1.00 0.41 H new ATOM 0 HD2 LYS A 48 5.127 -7.007 7.231 1.00 0.88 H new ATOM 0 HD3 LYS A 48 3.587 -7.822 7.047 1.00 0.88 H new ATOM 0 HE2 LYS A 48 5.549 -6.990 4.901 1.00 0.73 H new ATOM 0 HE3 LYS A 48 4.875 -8.579 5.210 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 3.821 -7.686 3.297 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 2.671 -7.658 4.546 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 3.454 -6.225 4.079 1.00 1.37 H new ATOM 735 N ASN A 49 0.148 -6.706 9.213 1.00 0.28 N ATOM 736 CA ASN A 49 0.067 -7.585 10.381 1.00 0.35 C ATOM 737 C ASN A 49 0.899 -7.054 11.549 1.00 0.39 C ATOM 738 O ASN A 49 1.548 -7.822 12.259 1.00 0.50 O ATOM 739 CB ASN A 49 0.531 -8.996 10.017 1.00 0.38 C ATOM 740 CG ASN A 49 -0.423 -10.064 10.517 1.00 0.75 C ATOM 741 OD1 ASN A 49 -1.177 -10.652 9.742 1.00 1.53 O ATOM 742 ND2 ASN A 49 -0.397 -10.316 11.821 1.00 1.32 N ATOM 0 H ASN A 49 -0.743 -6.558 8.739 1.00 0.28 H new ATOM 0 HA ASN A 49 -0.976 -7.614 10.695 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.627 -9.076 8.934 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.521 -9.170 10.439 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -1.019 -11.021 12.217 1.00 1.32 H new ATOM 0 HD22 ASN A 49 0.245 -9.804 12.427 1.00 1.32 H new ATOM 749 N GLY A 50 0.872 -5.740 11.745 1.00 0.38 N ATOM 750 CA GLY A 50 1.627 -5.138 12.829 1.00 0.45 C ATOM 751 C GLY A 50 3.089 -4.939 12.478 1.00 0.48 C ATOM 752 O GLY A 50 3.941 -4.848 13.362 1.00 0.68 O ATOM 0 H GLY A 50 0.342 -5.082 11.174 1.00 0.38 H new ATOM 0 HA2 GLY A 50 1.184 -4.176 13.085 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.552 -5.769 13.714 1.00 0.45 H new ATOM 756 N LYS A 51 3.376 -4.874 11.183 1.00 0.36 N ATOM 757 CA LYS A 51 4.743 -4.687 10.706 1.00 0.39 C ATOM 758 C LYS A 51 4.816 -3.518 9.730 1.00 0.38 C ATOM 759 O LYS A 51 4.012 -3.420 8.808 1.00 0.39 O ATOM 760 CB LYS A 51 5.245 -5.963 10.029 1.00 0.42 C ATOM 761 CG LYS A 51 6.757 -6.030 9.889 1.00 0.53 C ATOM 762 CD LYS A 51 7.267 -5.033 8.859 1.00 0.75 C ATOM 763 CE LYS A 51 8.244 -5.680 7.890 1.00 0.82 C ATOM 764 NZ LYS A 51 9.431 -6.243 8.591 1.00 1.36 N ATOM 0 H LYS A 51 2.679 -4.948 10.442 1.00 0.36 H new ATOM 0 HA LYS A 51 5.378 -4.465 11.563 1.00 0.39 H new ATOM 0 HB2 LYS A 51 4.904 -6.825 10.602 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.794 -6.039 9.040 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.222 -5.828 10.854 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.052 -7.038 9.598 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.425 -4.618 8.305 1.00 0.75 H new ATOM 0 HD3 LYS A 51 7.755 -4.201 9.367 1.00 0.75 H new ATOM 0 HE2 LYS A 51 7.738 -6.473 7.339 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.571 -4.942 7.158 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 10.174 -6.459 7.896 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.790 -5.550 9.278 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 9.159 -7.115 9.089 1.00 1.36 H new ATOM 778 N GLU A 52 5.787 -2.638 9.926 1.00 0.38 N ATOM 779 CA GLU A 52 5.952 -1.489 9.045 1.00 0.39 C ATOM 780 C GLU A 52 7.112 -1.710 8.086 1.00 0.43 C ATOM 781 O GLU A 52 8.133 -2.286 8.458 1.00 0.49 O ATOM 782 CB GLU A 52 6.183 -0.217 9.862 1.00 0.44 C ATOM 783 CG GLU A 52 7.413 -0.281 10.753 1.00 1.03 C ATOM 784 CD GLU A 52 7.085 -0.047 12.216 1.00 1.38 C ATOM 785 OE1 GLU A 52 6.043 0.583 12.497 1.00 1.71 O ATOM 786 OE2 GLU A 52 7.867 -0.495 13.080 1.00 1.90 O ATOM 0 H GLU A 52 6.469 -2.696 10.682 1.00 0.38 H new ATOM 0 HA GLU A 52 5.037 -1.372 8.464 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.281 0.629 9.182 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.306 -0.028 10.481 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.887 -1.256 10.642 1.00 1.03 H new ATOM 0 HG3 GLU A 52 8.136 0.465 10.423 1.00 1.03 H new ATOM 793 N PHE A 53 6.966 -1.229 6.856 1.00 0.43 N ATOM 794 CA PHE A 53 8.022 -1.362 5.861 1.00 0.50 C ATOM 795 C PHE A 53 8.146 -0.076 5.050 1.00 0.56 C ATOM 796 O PHE A 53 7.140 0.549 4.713 1.00 0.70 O ATOM 797 CB PHE A 53 7.756 -2.558 4.940 1.00 0.57 C ATOM 798 CG PHE A 53 6.626 -2.350 3.969 1.00 1.46 C ATOM 799 CD1 PHE A 53 6.765 -1.471 2.905 1.00 1.99 C ATOM 800 CD2 PHE A 53 5.426 -3.025 4.123 1.00 2.42 C ATOM 801 CE1 PHE A 53 5.728 -1.274 2.014 1.00 3.14 C ATOM 802 CE2 PHE A 53 4.385 -2.829 3.234 1.00 3.55 C ATOM 803 CZ PHE A 53 4.542 -1.980 2.167 1.00 3.85 C ATOM 0 H PHE A 53 6.131 -0.746 6.526 1.00 0.43 H new ATOM 0 HA PHE A 53 8.964 -1.540 6.379 1.00 0.50 H new ATOM 0 HB2 PHE A 53 8.665 -2.780 4.380 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.537 -3.432 5.553 1.00 0.57 H new ATOM 0 HD1 PHE A 53 7.693 -0.935 2.772 1.00 1.99 H new ATOM 0 HD2 PHE A 53 5.302 -3.712 4.947 1.00 2.42 H new ATOM 0 HE1 PHE A 53 5.839 -0.573 1.200 1.00 3.14 H new ATOM 0 HE2 PHE A 53 3.447 -3.345 3.379 1.00 3.55 H new ATOM 0 HZ PHE A 53 3.745 -1.861 1.448 1.00 3.85 H new ATOM 813 N LYS A 54 9.374 0.320 4.739 1.00 0.64 N ATOM 814 CA LYS A 54 9.605 1.537 3.969 1.00 0.77 C ATOM 815 C LYS A 54 10.206 1.222 2.603 1.00 1.29 C ATOM 816 O LYS A 54 10.897 0.218 2.434 1.00 1.12 O ATOM 817 CB LYS A 54 10.525 2.489 4.736 1.00 0.86 C ATOM 818 CG LYS A 54 10.332 3.950 4.364 1.00 1.43 C ATOM 819 CD LYS A 54 11.466 4.815 4.894 1.00 1.82 C ATOM 820 CE LYS A 54 10.938 6.081 5.549 1.00 2.44 C ATOM 821 NZ LYS A 54 10.116 6.894 4.610 1.00 3.19 N ATOM 0 H LYS A 54 10.222 -0.180 5.006 1.00 0.64 H new ATOM 0 HA LYS A 54 8.640 2.020 3.815 1.00 0.77 H new ATOM 0 HB2 LYS A 54 10.350 2.368 5.805 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.562 2.209 4.549 1.00 0.86 H new ATOM 0 HG2 LYS A 54 10.276 4.046 3.280 1.00 1.43 H new ATOM 0 HG3 LYS A 54 9.383 4.306 4.765 1.00 1.43 H new ATOM 0 HD2 LYS A 54 12.052 4.247 5.616 1.00 1.82 H new ATOM 0 HD3 LYS A 54 12.137 5.079 4.077 1.00 1.82 H new ATOM 0 HE2 LYS A 54 10.338 5.816 6.419 1.00 2.44 H new ATOM 0 HE3 LYS A 54 11.775 6.679 5.909 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 9.975 7.845 5.006 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 10.606 6.969 3.696 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 9.193 6.436 4.471 1.00 3.19 H new ATOM 835 N GLN A 55 9.939 2.092 1.634 1.00 2.12 N ATOM 836 CA GLN A 55 10.456 1.914 0.284 1.00 2.84 C ATOM 837 C GLN A 55 11.980 1.941 0.275 1.00 2.74 C ATOM 838 O GLN A 55 12.615 1.400 -0.629 1.00 3.04 O ATOM 839 CB GLN A 55 9.911 3.008 -0.638 1.00 3.80 C ATOM 840 CG GLN A 55 10.459 4.390 -0.328 1.00 4.05 C ATOM 841 CD GLN A 55 9.403 5.330 0.216 1.00 4.76 C ATOM 842 OE1 GLN A 55 8.754 5.039 1.222 1.00 5.13 O ATOM 843 NE2 GLN A 55 9.223 6.465 -0.449 1.00 5.27 N ATOM 0 H GLN A 55 9.367 2.927 1.760 1.00 2.12 H new ATOM 0 HA GLN A 55 10.127 0.940 -0.079 1.00 2.84 H new ATOM 0 HB2 GLN A 55 10.150 2.754 -1.671 1.00 3.80 H new ATOM 0 HB3 GLN A 55 8.824 3.031 -0.559 1.00 3.80 H new ATOM 0 HG2 GLN A 55 11.268 4.301 0.397 1.00 4.05 H new ATOM 0 HG3 GLN A 55 10.888 4.818 -1.234 1.00 4.05 H new ATOM 0 HE21 GLN A 55 9.783 6.665 -1.278 1.00 5.27 H new ATOM 0 HE22 GLN A 55 8.525 7.137 -0.131 1.00 5.27 H new ATOM 852 N GLU A 56 12.563 2.573 1.290 1.00 2.55 N ATOM 853 CA GLU A 56 14.014 2.667 1.399 1.00 2.90 C ATOM 854 C GLU A 56 14.634 1.285 1.562 1.00 2.31 C ATOM 855 O GLU A 56 15.769 1.048 1.146 1.00 2.87 O ATOM 856 CB GLU A 56 14.398 3.555 2.586 1.00 3.47 C ATOM 857 CG GLU A 56 15.021 4.880 2.179 1.00 4.30 C ATOM 858 CD GLU A 56 13.991 5.887 1.705 1.00 5.06 C ATOM 859 OE1 GLU A 56 12.957 5.461 1.150 1.00 5.47 O ATOM 860 OE2 GLU A 56 14.220 7.101 1.887 1.00 5.55 O ATOM 0 H GLU A 56 12.053 3.027 2.048 1.00 2.55 H new ATOM 0 HA GLU A 56 14.398 3.112 0.481 1.00 2.90 H new ATOM 0 HB2 GLU A 56 13.509 3.750 3.185 1.00 3.47 H new ATOM 0 HB3 GLU A 56 15.099 3.014 3.222 1.00 3.47 H new ATOM 0 HG2 GLU A 56 15.567 5.296 3.026 1.00 4.30 H new ATOM 0 HG3 GLU A 56 15.747 4.707 1.385 1.00 4.30 H new ATOM 867 N HIS A 57 13.883 0.373 2.170 1.00 1.41 N ATOM 868 CA HIS A 57 14.356 -0.987 2.390 1.00 1.04 C ATOM 869 C HIS A 57 13.220 -1.993 2.235 1.00 0.97 C ATOM 870 O HIS A 57 12.258 -1.979 3.002 1.00 1.34 O ATOM 871 CB HIS A 57 14.974 -1.113 3.782 1.00 1.30 C ATOM 872 CG HIS A 57 15.907 -2.277 3.923 1.00 1.65 C ATOM 873 ND1 HIS A 57 16.947 -2.304 4.828 1.00 2.34 N ATOM 874 CD2 HIS A 57 15.953 -3.461 3.267 1.00 2.26 C ATOM 875 CE1 HIS A 57 17.592 -3.452 4.723 1.00 2.86 C ATOM 876 NE2 HIS A 57 17.007 -4.171 3.783 1.00 2.77 N ATOM 0 H HIS A 57 12.942 0.553 2.520 1.00 1.41 H new ATOM 0 HA HIS A 57 15.115 -1.206 1.639 1.00 1.04 H new ATOM 0 HB2 HIS A 57 15.514 -0.195 4.015 1.00 1.30 H new ATOM 0 HB3 HIS A 57 14.175 -1.208 4.517 1.00 1.30 H new ATOM 0 HD2 HIS A 57 15.284 -3.786 2.484 1.00 2.26 H new ATOM 0 HE1 HIS A 57 18.451 -3.751 5.306 1.00 2.86 H new ATOM 0 HE2 HIS A 57 17.293 -5.105 3.488 1.00 2.77 H new ATOM 885 N ARG A 58 13.341 -2.866 1.238 1.00 1.00 N ATOM 886 CA ARG A 58 12.324 -3.879 0.986 1.00 0.92 C ATOM 887 C ARG A 58 12.964 -5.244 0.761 1.00 0.69 C ATOM 888 O ARG A 58 14.094 -5.340 0.276 1.00 0.78 O ATOM 889 CB ARG A 58 11.477 -3.495 -0.224 1.00 1.23 C ATOM 890 CG ARG A 58 9.983 -3.611 0.021 1.00 1.36 C ATOM 891 CD ARG A 58 9.202 -2.629 -0.836 1.00 1.75 C ATOM 892 NE ARG A 58 8.773 -1.457 -0.076 1.00 2.44 N ATOM 893 CZ ARG A 58 8.054 -0.468 -0.597 1.00 3.22 C ATOM 894 NH1 ARG A 58 7.688 -0.510 -1.871 1.00 3.53 N ATOM 895 NH2 ARG A 58 7.701 0.564 0.157 1.00 3.98 N ATOM 0 H ARG A 58 14.132 -2.891 0.594 1.00 1.00 H new ATOM 0 HA ARG A 58 11.680 -3.938 1.864 1.00 0.92 H new ATOM 0 HB2 ARG A 58 11.712 -2.470 -0.511 1.00 1.23 H new ATOM 0 HB3 ARG A 58 11.750 -4.132 -1.065 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.655 -4.627 -0.197 1.00 1.36 H new ATOM 0 HG3 ARG A 58 9.770 -3.426 1.074 1.00 1.36 H new ATOM 0 HD2 ARG A 58 9.820 -2.310 -1.676 1.00 1.75 H new ATOM 0 HD3 ARG A 58 8.328 -3.129 -1.255 1.00 1.75 H new ATOM 0 HE ARG A 58 9.039 -1.395 0.907 1.00 2.44 H new ATOM 0 HH11 ARG A 58 7.958 -1.303 -2.453 1.00 3.53 H new ATOM 0 HH12 ARG A 58 7.136 0.250 -2.268 1.00 3.53 H new ATOM 0 HH21 ARG A 58 7.981 0.599 1.137 1.00 3.98 H new ATOM 0 HH22 ARG A 58 7.149 1.323 -0.243 1.00 3.98 H new ATOM 909 N ILE A 59 12.234 -6.298 1.101 1.00 0.67 N ATOM 910 CA ILE A 59 12.734 -7.654 0.930 1.00 0.66 C ATOM 911 C ILE A 59 12.800 -8.034 -0.541 1.00 0.59 C ATOM 912 O ILE A 59 11.815 -8.487 -1.123 1.00 0.57 O ATOM 913 CB ILE A 59 11.863 -8.679 1.678 1.00 0.95 C ATOM 914 CG1 ILE A 59 11.598 -8.211 3.110 1.00 1.05 C ATOM 915 CG2 ILE A 59 12.536 -10.044 1.678 1.00 1.16 C ATOM 916 CD1 ILE A 59 12.852 -7.837 3.867 1.00 1.64 C ATOM 0 H ILE A 59 11.295 -6.240 1.496 1.00 0.67 H new ATOM 0 HA ILE A 59 13.739 -7.672 1.352 1.00 0.66 H new ATOM 0 HB ILE A 59 10.907 -8.765 1.162 1.00 0.95 H new ATOM 0 HG12 ILE A 59 10.929 -7.351 3.084 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.079 -9.002 3.652 1.00 1.05 H new ATOM 0 HG21 ILE A 59 11.909 -10.759 2.210 1.00 1.16 H new ATOM 0 HG22 ILE A 59 12.677 -10.380 0.651 1.00 1.16 H new ATOM 0 HG23 ILE A 59 13.505 -9.972 2.173 1.00 1.16 H new ATOM 0 HD11 ILE A 59 12.587 -7.515 4.874 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.514 -8.701 3.925 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.361 -7.025 3.349 1.00 1.64 H new ATOM 928 N GLY A 60 13.971 -7.852 -1.137 1.00 0.70 N ATOM 929 CA GLY A 60 14.147 -8.187 -2.534 1.00 0.77 C ATOM 930 C GLY A 60 14.126 -6.973 -3.441 1.00 0.74 C ATOM 931 O GLY A 60 14.511 -7.063 -4.606 1.00 0.79 O ATOM 0 H GLY A 60 14.801 -7.478 -0.677 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.094 -8.711 -2.660 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.359 -8.875 -2.839 1.00 0.77 H new ATOM 935 N GLY A 61 13.672 -5.834 -2.919 1.00 0.70 N ATOM 936 CA GLY A 61 13.620 -4.630 -3.733 1.00 0.72 C ATOM 937 C GLY A 61 12.304 -3.889 -3.590 1.00 0.74 C ATOM 938 O GLY A 61 11.304 -4.465 -3.161 1.00 1.20 O ATOM 0 H GLY A 61 13.343 -5.724 -1.960 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.439 -3.968 -3.450 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.772 -4.896 -4.779 1.00 0.72 H new ATOM 942 N TYR A 62 12.303 -2.606 -3.947 1.00 0.69 N ATOM 943 CA TYR A 62 11.098 -1.789 -3.847 1.00 0.84 C ATOM 944 C TYR A 62 10.727 -1.161 -5.186 1.00 0.73 C ATOM 945 O TYR A 62 11.561 -0.546 -5.850 1.00 0.97 O ATOM 946 CB TYR A 62 11.296 -0.685 -2.804 1.00 1.36 C ATOM 947 CG TYR A 62 12.536 0.150 -3.030 1.00 1.92 C ATOM 948 CD1 TYR A 62 13.793 -0.333 -2.694 1.00 2.32 C ATOM 949 CD2 TYR A 62 12.448 1.423 -3.582 1.00 2.43 C ATOM 950 CE1 TYR A 62 14.929 0.427 -2.900 1.00 3.05 C ATOM 951 CE2 TYR A 62 13.578 2.188 -3.793 1.00 3.07 C ATOM 952 CZ TYR A 62 14.817 1.687 -3.441 1.00 3.35 C ATOM 953 OH TYR A 62 15.945 2.446 -3.659 1.00 4.10 O ATOM 0 H TYR A 62 13.120 -2.113 -4.306 1.00 0.69 H new ATOM 0 HA TYR A 62 10.283 -2.445 -3.543 1.00 0.84 H new ATOM 0 HB2 TYR A 62 10.423 -0.032 -2.809 1.00 1.36 H new ATOM 0 HB3 TYR A 62 11.349 -1.138 -1.814 1.00 1.36 H new ATOM 0 HD1 TYR A 62 13.885 -1.320 -2.264 1.00 2.32 H new ATOM 0 HD2 TYR A 62 11.480 1.820 -3.850 1.00 2.43 H new ATOM 0 HE1 TYR A 62 15.900 0.034 -2.638 1.00 3.05 H new ATOM 0 HE2 TYR A 62 13.494 3.172 -4.230 1.00 3.07 H new ATOM 0 HH TYR A 62 15.689 3.309 -4.047 1.00 4.10 H new ATOM 963 N LYS A 63 9.460 -1.306 -5.566 1.00 0.66 N ATOM 964 CA LYS A 63 8.962 -0.739 -6.812 1.00 0.78 C ATOM 965 C LYS A 63 7.630 -0.036 -6.573 1.00 0.67 C ATOM 966 O LYS A 63 6.669 -0.650 -6.112 1.00 0.54 O ATOM 967 CB LYS A 63 8.800 -1.829 -7.873 1.00 1.11 C ATOM 968 CG LYS A 63 9.883 -1.803 -8.942 1.00 1.28 C ATOM 969 CD LYS A 63 10.122 -3.186 -9.526 1.00 1.83 C ATOM 970 CE LYS A 63 11.286 -3.885 -8.844 1.00 2.36 C ATOM 971 NZ LYS A 63 12.580 -3.603 -9.525 1.00 3.18 N ATOM 0 H LYS A 63 8.759 -1.813 -5.026 1.00 0.66 H new ATOM 0 HA LYS A 63 9.687 -0.010 -7.174 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.806 -2.804 -7.385 1.00 1.11 H new ATOM 0 HB3 LYS A 63 7.827 -1.718 -8.351 1.00 1.11 H new ATOM 0 HG2 LYS A 63 9.594 -1.116 -9.737 1.00 1.28 H new ATOM 0 HG3 LYS A 63 10.810 -1.423 -8.513 1.00 1.28 H new ATOM 0 HD2 LYS A 63 9.220 -3.789 -9.418 1.00 1.83 H new ATOM 0 HD3 LYS A 63 10.322 -3.101 -10.594 1.00 1.83 H new ATOM 0 HE2 LYS A 63 11.345 -3.562 -7.805 1.00 2.36 H new ATOM 0 HE3 LYS A 63 11.108 -4.960 -8.834 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 13.348 -4.098 -9.029 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 12.533 -3.934 -10.510 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 12.763 -2.579 -9.512 1.00 3.18 H new ATOM 985 N VAL A 64 7.581 1.256 -6.882 1.00 0.81 N ATOM 986 CA VAL A 64 6.364 2.035 -6.689 1.00 0.77 C ATOM 987 C VAL A 64 6.105 2.979 -7.857 1.00 0.82 C ATOM 988 O VAL A 64 7.030 3.607 -8.376 1.00 0.89 O ATOM 989 CB VAL A 64 6.427 2.860 -5.389 1.00 0.85 C ATOM 990 CG1 VAL A 64 6.557 1.947 -4.179 1.00 1.49 C ATOM 991 CG2 VAL A 64 7.580 3.852 -5.445 1.00 1.71 C ATOM 0 H VAL A 64 8.366 1.783 -7.265 1.00 0.81 H new ATOM 0 HA VAL A 64 5.547 1.317 -6.625 1.00 0.77 H new ATOM 0 HB VAL A 64 5.497 3.421 -5.290 1.00 0.85 H new ATOM 0 HG11 VAL A 64 6.600 2.549 -3.272 1.00 1.49 H new ATOM 0 HG12 VAL A 64 5.696 1.281 -4.132 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.469 1.356 -4.265 1.00 1.49 H new ATOM 0 HG21 VAL A 64 7.611 4.427 -4.519 1.00 1.71 H new ATOM 0 HG22 VAL A 64 8.519 3.312 -5.568 1.00 1.71 H new ATOM 0 HG23 VAL A 64 7.437 4.529 -6.288 1.00 1.71 H new ATOM 1001 N ARG A 65 4.843 3.085 -8.255 1.00 0.82 N ATOM 1002 CA ARG A 65 4.459 3.967 -9.351 1.00 0.92 C ATOM 1003 C ARG A 65 4.455 5.418 -8.881 1.00 1.03 C ATOM 1004 O ARG A 65 3.846 5.746 -7.861 1.00 1.18 O ATOM 1005 CB ARG A 65 3.078 3.585 -9.887 1.00 0.96 C ATOM 1006 CG ARG A 65 3.054 2.250 -10.615 1.00 1.51 C ATOM 1007 CD ARG A 65 1.695 1.984 -11.241 1.00 2.02 C ATOM 1008 NE ARG A 65 1.624 2.464 -12.618 1.00 2.60 N ATOM 1009 CZ ARG A 65 2.316 1.932 -13.619 1.00 3.22 C ATOM 1010 NH1 ARG A 65 3.123 0.904 -13.398 1.00 3.52 N ATOM 1011 NH2 ARG A 65 2.198 2.425 -14.844 1.00 3.99 N ATOM 0 H ARG A 65 4.068 2.571 -7.835 1.00 0.82 H new ATOM 0 HA ARG A 65 5.187 3.857 -10.155 1.00 0.92 H new ATOM 0 HB2 ARG A 65 2.373 3.549 -9.057 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.732 4.365 -10.565 1.00 0.96 H new ATOM 0 HG2 ARG A 65 3.821 2.242 -11.390 1.00 1.51 H new ATOM 0 HG3 ARG A 65 3.298 1.449 -9.917 1.00 1.51 H new ATOM 0 HD2 ARG A 65 1.489 0.914 -11.219 1.00 2.02 H new ATOM 0 HD3 ARG A 65 0.921 2.470 -10.647 1.00 2.02 H new ATOM 0 HE ARG A 65 1.009 3.252 -12.823 1.00 2.60 H new ATOM 0 HH11 ARG A 65 3.214 0.520 -12.458 1.00 3.52 H new ATOM 0 HH12 ARG A 65 3.653 0.497 -14.168 1.00 3.52 H new ATOM 0 HH21 ARG A 65 1.575 3.214 -15.019 1.00 3.99 H new ATOM 0 HH22 ARG A 65 2.730 2.016 -15.612 1.00 3.99 H new ATOM 1025 N ASN A 66 5.143 6.281 -9.620 1.00 1.03 N ATOM 1026 CA ASN A 66 5.220 7.697 -9.266 1.00 1.16 C ATOM 1027 C ASN A 66 3.945 8.442 -9.653 1.00 1.03 C ATOM 1028 O ASN A 66 3.992 9.427 -10.390 1.00 1.79 O ATOM 1029 CB ASN A 66 6.427 8.347 -9.944 1.00 1.96 C ATOM 1030 CG ASN A 66 6.287 8.392 -11.453 1.00 2.83 C ATOM 1031 OD1 ASN A 66 5.410 7.748 -12.027 1.00 3.41 O ATOM 1032 ND2 ASN A 66 7.155 9.158 -12.104 1.00 3.48 N ATOM 0 H ASN A 66 5.654 6.028 -10.465 1.00 1.03 H new ATOM 0 HA ASN A 66 5.334 7.761 -8.184 1.00 1.16 H new ATOM 0 HB2 ASN A 66 6.552 9.361 -9.563 1.00 1.96 H new ATOM 0 HB3 ASN A 66 7.329 7.794 -9.682 1.00 1.96 H new ATOM 0 HD21 ASN A 66 7.110 9.229 -13.121 1.00 3.48 H new ATOM 0 HD22 ASN A 66 7.866 9.675 -11.587 1.00 3.48 H new ATOM 1039 N GLN A 67 2.809 7.971 -9.148 1.00 1.15 N ATOM 1040 CA GLN A 67 1.526 8.603 -9.443 1.00 1.99 C ATOM 1041 C GLN A 67 0.468 8.213 -8.413 1.00 1.73 C ATOM 1042 O GLN A 67 -0.729 8.251 -8.699 1.00 2.55 O ATOM 1043 CB GLN A 67 1.055 8.216 -10.846 1.00 2.86 C ATOM 1044 CG GLN A 67 0.977 9.390 -11.808 1.00 3.88 C ATOM 1045 CD GLN A 67 0.563 8.974 -13.204 1.00 4.69 C ATOM 1046 OE1 GLN A 67 1.179 9.370 -14.192 1.00 5.12 O ATOM 1047 NE2 GLN A 67 -0.490 8.166 -13.292 1.00 5.31 N ATOM 0 H GLN A 67 2.750 7.158 -8.535 1.00 1.15 H new ATOM 0 HA GLN A 67 1.666 9.683 -9.396 1.00 1.99 H new ATOM 0 HB2 GLN A 67 1.734 7.467 -11.254 1.00 2.86 H new ATOM 0 HB3 GLN A 67 0.072 7.750 -10.774 1.00 2.86 H new ATOM 0 HG2 GLN A 67 0.266 10.122 -11.425 1.00 3.88 H new ATOM 0 HG3 GLN A 67 1.948 9.883 -11.853 1.00 3.88 H new ATOM 0 HE21 GLN A 67 -0.972 7.862 -12.446 1.00 5.31 H new ATOM 0 HE22 GLN A 67 -0.816 7.851 -14.206 1.00 5.31 H new ATOM 1056 N HIS A 68 0.914 7.841 -7.213 1.00 0.89 N ATOM 1057 CA HIS A 68 0.008 7.445 -6.134 1.00 0.62 C ATOM 1058 C HIS A 68 -1.145 6.584 -6.653 1.00 0.68 C ATOM 1059 O HIS A 68 -2.314 6.877 -6.399 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.542 8.686 -5.428 1.00 0.63 C ATOM 1061 CG HIS A 68 -1.140 9.693 -6.361 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -2.472 9.690 -6.721 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -0.581 10.742 -7.009 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -2.705 10.693 -7.548 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -1.574 11.346 -7.738 1.00 2.83 N ATOM 0 H HIS A 68 1.902 7.806 -6.963 1.00 0.89 H new ATOM 0 HA HIS A 68 0.578 6.846 -5.424 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.299 8.378 -4.707 1.00 0.63 H new ATOM 0 HB3 HIS A 68 0.262 9.159 -4.864 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -3.168 9.018 -6.399 1.00 2.23 H new ATOM 0 HD2 HIS A 68 0.454 11.047 -6.961 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -3.658 10.937 -7.993 1.00 2.85 H new ATOM 1074 N TRP A 69 -0.806 5.522 -7.379 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.815 4.622 -7.932 1.00 0.45 C ATOM 1076 C TRP A 69 -1.620 3.196 -7.421 1.00 0.37 C ATOM 1077 O TRP A 69 -2.445 2.682 -6.664 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.759 4.641 -9.463 1.00 0.56 C ATOM 1079 CG TRP A 69 -3.063 4.284 -10.108 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -4.279 4.859 -9.876 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -3.280 3.268 -11.093 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -5.239 4.264 -10.657 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -4.651 3.283 -11.415 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -2.449 2.347 -11.738 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -5.209 2.414 -12.349 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -3.004 1.485 -12.667 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -4.371 1.525 -12.964 1.00 3.14 C ATOM 0 H TRP A 69 0.156 5.264 -7.598 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.794 4.971 -7.604 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -1.456 5.634 -9.796 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -0.992 3.944 -9.800 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -4.460 5.665 -9.180 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -6.229 4.511 -10.671 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -1.393 2.309 -11.515 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -6.264 2.441 -12.579 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -2.372 0.769 -13.171 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -4.773 0.839 -13.695 1.00 3.14 H new ATOM 1098 N SER A 70 -0.527 2.563 -7.836 1.00 0.35 N ATOM 1099 CA SER A 70 -0.229 1.198 -7.416 1.00 0.33 C ATOM 1100 C SER A 70 1.185 1.100 -6.854 1.00 0.36 C ATOM 1101 O SER A 70 2.048 1.918 -7.174 1.00 0.39 O ATOM 1102 CB SER A 70 -0.393 0.230 -8.591 1.00 0.40 C ATOM 1103 OG SER A 70 -1.672 0.358 -9.186 1.00 1.02 O ATOM 0 H SER A 70 0.166 2.973 -8.462 1.00 0.35 H new ATOM 0 HA SER A 70 -0.934 0.924 -6.631 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.379 0.424 -9.336 1.00 0.40 H new ATOM 0 HB3 SER A 70 -0.251 -0.794 -8.245 1.00 0.40 H new ATOM 0 HG SER A 70 -1.629 1.010 -9.916 1.00 1.02 H new ATOM 1109 N LEU A 71 1.419 0.083 -6.034 1.00 0.38 N ATOM 1110 CA LEU A 71 2.733 -0.142 -5.440 1.00 0.44 C ATOM 1111 C LEU A 71 3.019 -1.636 -5.356 1.00 0.44 C ATOM 1112 O LEU A 71 2.135 -2.425 -5.019 1.00 0.52 O ATOM 1113 CB LEU A 71 2.819 0.492 -4.049 1.00 0.51 C ATOM 1114 CG LEU A 71 1.482 0.692 -3.337 1.00 0.63 C ATOM 1115 CD1 LEU A 71 1.664 0.616 -1.831 1.00 0.98 C ATOM 1116 CD2 LEU A 71 0.860 2.024 -3.736 1.00 0.80 C ATOM 0 H LEU A 71 0.713 -0.602 -5.764 1.00 0.38 H new ATOM 0 HA LEU A 71 3.483 0.329 -6.076 1.00 0.44 H new ATOM 0 HB2 LEU A 71 3.455 -0.133 -3.422 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.312 1.460 -4.139 1.00 0.51 H new ATOM 0 HG LEU A 71 0.806 -0.107 -3.641 1.00 0.63 H new ATOM 0 HD11 LEU A 71 0.701 0.761 -1.340 1.00 0.98 H new ATOM 0 HD12 LEU A 71 2.065 -0.361 -1.562 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.356 1.394 -1.508 1.00 0.98 H new ATOM 0 HD21 LEU A 71 -0.092 2.150 -3.220 1.00 0.80 H new ATOM 0 HD22 LEU A 71 1.533 2.837 -3.461 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.693 2.040 -4.813 1.00 0.80 H new ATOM 1128 N ILE A 72 4.250 -2.030 -5.662 1.00 0.39 N ATOM 1129 CA ILE A 72 4.618 -3.438 -5.614 1.00 0.39 C ATOM 1130 C ILE A 72 5.816 -3.676 -4.699 1.00 0.36 C ATOM 1131 O ILE A 72 6.883 -3.085 -4.878 1.00 0.38 O ATOM 1132 CB ILE A 72 4.924 -3.992 -7.020 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.270 -5.486 -6.940 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.046 -3.197 -7.676 1.00 0.45 C ATOM 1135 CD1 ILE A 72 6.701 -5.771 -6.530 1.00 1.12 C ATOM 0 H ILE A 72 5.002 -1.401 -5.943 1.00 0.39 H new ATOM 0 HA ILE A 72 3.758 -3.970 -5.208 1.00 0.39 H new ATOM 0 HB ILE A 72 4.035 -3.885 -7.641 1.00 0.42 H new ATOM 0 HG12 ILE A 72 4.598 -5.966 -6.229 1.00 0.44 H new ATOM 0 HG13 ILE A 72 5.084 -5.943 -7.912 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.248 -3.603 -8.667 1.00 0.45 H new ATOM 0 HG22 ILE A 72 5.748 -2.152 -7.765 1.00 0.45 H new ATOM 0 HG23 ILE A 72 6.946 -3.266 -7.065 1.00 0.45 H new ATOM 0 HD11 ILE A 72 6.863 -6.848 -6.498 1.00 1.12 H new ATOM 0 HD12 ILE A 72 7.383 -5.323 -7.253 1.00 1.12 H new ATOM 0 HD13 ILE A 72 6.888 -5.346 -5.544 1.00 1.12 H new ATOM 1147 N MET A 73 5.623 -4.552 -3.718 1.00 0.36 N ATOM 1148 CA MET A 73 6.670 -4.891 -2.762 1.00 0.36 C ATOM 1149 C MET A 73 6.919 -6.395 -2.750 1.00 0.33 C ATOM 1150 O MET A 73 5.981 -7.188 -2.840 1.00 0.43 O ATOM 1151 CB MET A 73 6.280 -4.417 -1.360 1.00 0.43 C ATOM 1152 CG MET A 73 4.890 -4.865 -0.936 1.00 0.83 C ATOM 1153 SD MET A 73 4.921 -5.952 0.501 1.00 1.86 S ATOM 1154 CE MET A 73 5.976 -5.020 1.606 1.00 2.56 C ATOM 0 H MET A 73 4.743 -5.044 -3.564 1.00 0.36 H new ATOM 0 HA MET A 73 7.588 -4.387 -3.066 1.00 0.36 H new ATOM 0 HB2 MET A 73 7.009 -4.792 -0.642 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.329 -3.329 -1.326 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.283 -3.988 -0.711 1.00 0.83 H new ATOM 0 HG3 MET A 73 4.409 -5.381 -1.767 1.00 0.83 H new ATOM 0 HE1 MET A 73 5.627 -5.142 2.631 1.00 2.56 H new ATOM 0 HE2 MET A 73 7.000 -5.385 1.526 1.00 2.56 H new ATOM 0 HE3 MET A 73 5.945 -3.965 1.335 1.00 2.56 H new ATOM 1164 N GLU A 74 8.182 -6.779 -2.635 1.00 0.33 N ATOM 1165 CA GLU A 74 8.549 -8.189 -2.609 1.00 0.31 C ATOM 1166 C GLU A 74 8.689 -8.682 -1.171 1.00 0.31 C ATOM 1167 O GLU A 74 9.522 -8.180 -0.415 1.00 0.37 O ATOM 1168 CB GLU A 74 9.860 -8.405 -3.368 1.00 0.37 C ATOM 1169 CG GLU A 74 10.400 -9.822 -3.261 1.00 0.41 C ATOM 1170 CD GLU A 74 9.421 -10.858 -3.774 1.00 0.89 C ATOM 1171 OE1 GLU A 74 8.373 -11.060 -3.125 1.00 1.52 O ATOM 1172 OE2 GLU A 74 9.700 -11.470 -4.828 1.00 1.12 O ATOM 0 H GLU A 74 8.970 -6.136 -2.558 1.00 0.33 H new ATOM 0 HA GLU A 74 7.758 -8.761 -3.095 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.705 -8.163 -4.419 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.609 -7.710 -2.988 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.330 -9.896 -3.824 1.00 0.41 H new ATOM 0 HG3 GLU A 74 10.640 -10.038 -2.220 1.00 0.41 H new ATOM 1179 N SER A 75 7.867 -9.657 -0.792 1.00 0.29 N ATOM 1180 CA SER A 75 7.908 -10.202 0.558 1.00 0.33 C ATOM 1181 C SER A 75 8.038 -11.720 0.535 1.00 0.33 C ATOM 1182 O SER A 75 7.048 -12.437 0.386 1.00 0.38 O ATOM 1183 CB SER A 75 6.648 -9.801 1.329 1.00 0.41 C ATOM 1184 OG SER A 75 5.489 -10.371 0.746 1.00 1.32 O ATOM 0 H SER A 75 7.167 -10.083 -1.400 1.00 0.29 H new ATOM 0 HA SER A 75 8.784 -9.790 1.059 1.00 0.33 H new ATOM 0 HB2 SER A 75 6.734 -10.125 2.366 1.00 0.41 H new ATOM 0 HB3 SER A 75 6.556 -8.715 1.341 1.00 0.41 H new ATOM 0 HG SER A 75 5.721 -11.225 0.325 1.00 1.32 H new ATOM 1190 N VAL A 76 9.265 -12.207 0.691 1.00 0.37 N ATOM 1191 CA VAL A 76 9.522 -13.641 0.695 1.00 0.41 C ATOM 1192 C VAL A 76 9.330 -14.223 2.091 1.00 0.43 C ATOM 1193 O VAL A 76 8.707 -15.272 2.257 1.00 0.46 O ATOM 1194 CB VAL A 76 10.948 -13.962 0.202 1.00 0.48 C ATOM 1195 CG1 VAL A 76 11.987 -13.429 1.177 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.116 -15.460 -0.003 1.00 1.33 C ATOM 0 H VAL A 76 10.096 -11.629 0.816 1.00 0.37 H new ATOM 0 HA VAL A 76 8.805 -14.096 0.011 1.00 0.41 H new ATOM 0 HB VAL A 76 11.100 -13.467 -0.757 1.00 0.48 H new ATOM 0 HG11 VAL A 76 12.986 -13.666 0.810 1.00 1.54 H new ATOM 0 HG12 VAL A 76 11.881 -12.348 1.267 1.00 1.54 H new ATOM 0 HG13 VAL A 76 11.840 -13.890 2.154 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.128 -15.668 -0.351 1.00 1.33 H new ATOM 0 HG22 VAL A 76 10.943 -15.978 0.940 1.00 1.33 H new ATOM 0 HG23 VAL A 76 10.398 -15.808 -0.746 1.00 1.33 H new ATOM 1206 N VAL A 77 9.863 -13.531 3.094 1.00 0.45 N ATOM 1207 CA VAL A 77 9.745 -13.979 4.479 1.00 0.49 C ATOM 1208 C VAL A 77 8.511 -13.386 5.157 1.00 0.45 C ATOM 1209 O VAL A 77 7.751 -14.102 5.808 1.00 0.47 O ATOM 1210 CB VAL A 77 10.994 -13.621 5.314 1.00 0.57 C ATOM 1211 CG1 VAL A 77 11.106 -14.540 6.520 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.255 -13.693 4.464 1.00 0.77 C ATOM 0 H VAL A 77 10.380 -12.660 2.975 1.00 0.45 H new ATOM 0 HA VAL A 77 9.649 -15.064 4.437 1.00 0.49 H new ATOM 0 HB VAL A 77 10.886 -12.596 5.669 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.991 -14.275 7.098 1.00 0.80 H new ATOM 0 HG12 VAL A 77 10.219 -14.431 7.144 1.00 0.80 H new ATOM 0 HG13 VAL A 77 11.188 -15.573 6.184 1.00 0.80 H new ATOM 0 HG21 VAL A 77 13.121 -13.437 5.075 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.373 -14.704 4.073 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.175 -12.990 3.635 1.00 0.77 H new ATOM 1222 N PRO A 78 8.292 -12.065 5.019 1.00 0.43 N ATOM 1223 CA PRO A 78 7.140 -11.388 5.629 1.00 0.41 C ATOM 1224 C PRO A 78 5.807 -11.928 5.117 1.00 0.35 C ATOM 1225 O PRO A 78 4.766 -11.725 5.741 1.00 0.34 O ATOM 1226 CB PRO A 78 7.316 -9.921 5.213 1.00 0.42 C ATOM 1227 CG PRO A 78 8.752 -9.796 4.841 1.00 0.48 C ATOM 1228 CD PRO A 78 9.140 -11.126 4.267 1.00 0.46 C ATOM 0 HA PRO A 78 7.113 -11.537 6.708 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.667 -9.668 4.374 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.059 -9.246 6.029 1.00 0.42 H new ATOM 0 HG2 PRO A 78 8.900 -8.998 4.114 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.362 -9.552 5.711 1.00 0.48 H new ATOM 0 HD2 PRO A 78 8.947 -11.176 3.195 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.200 -11.335 4.410 1.00 0.46 H new ATOM 1236 N SER A 79 5.846 -12.617 3.980 1.00 0.34 N ATOM 1237 CA SER A 79 4.635 -13.184 3.393 1.00 0.34 C ATOM 1238 C SER A 79 3.891 -14.035 4.414 1.00 0.38 C ATOM 1239 O SER A 79 2.681 -14.229 4.305 1.00 0.39 O ATOM 1240 CB SER A 79 4.985 -14.025 2.164 1.00 0.39 C ATOM 1241 OG SER A 79 4.276 -13.576 1.022 1.00 1.13 O ATOM 0 H SER A 79 6.698 -12.796 3.449 1.00 0.34 H new ATOM 0 HA SER A 79 3.986 -12.364 3.087 1.00 0.34 H new ATOM 0 HB2 SER A 79 6.057 -13.971 1.975 1.00 0.39 H new ATOM 0 HB3 SER A 79 4.748 -15.071 2.356 1.00 0.39 H new ATOM 0 HG SER A 79 4.881 -13.073 0.438 1.00 1.13 H new ATOM 1247 N ASP A 80 4.615 -14.527 5.414 1.00 0.43 N ATOM 1248 CA ASP A 80 4.007 -15.344 6.459 1.00 0.50 C ATOM 1249 C ASP A 80 2.800 -14.628 7.056 1.00 0.42 C ATOM 1250 O ASP A 80 1.882 -15.262 7.574 1.00 0.47 O ATOM 1251 CB ASP A 80 5.028 -15.653 7.555 1.00 0.62 C ATOM 1252 CG ASP A 80 4.684 -16.912 8.325 1.00 1.27 C ATOM 1253 OD1 ASP A 80 5.048 -18.012 7.858 1.00 2.02 O ATOM 1254 OD2 ASP A 80 4.049 -16.799 9.394 1.00 1.69 O ATOM 0 H ASP A 80 5.618 -14.376 5.523 1.00 0.43 H new ATOM 0 HA ASP A 80 3.675 -16.282 6.015 1.00 0.50 H new ATOM 0 HB2 ASP A 80 6.016 -15.762 7.107 1.00 0.62 H new ATOM 0 HB3 ASP A 80 5.082 -14.811 8.245 1.00 0.62 H new ATOM 1259 N LYS A 81 2.806 -13.300 6.967 1.00 0.38 N ATOM 1260 CA LYS A 81 1.709 -12.492 7.489 1.00 0.33 C ATOM 1261 C LYS A 81 0.882 -11.919 6.342 1.00 0.26 C ATOM 1262 O LYS A 81 1.357 -11.073 5.585 1.00 0.27 O ATOM 1263 CB LYS A 81 2.229 -11.343 8.369 1.00 0.40 C ATOM 1264 CG LYS A 81 3.660 -11.518 8.860 1.00 0.91 C ATOM 1265 CD LYS A 81 4.217 -10.218 9.419 1.00 1.02 C ATOM 1266 CE LYS A 81 5.407 -9.725 8.611 1.00 0.87 C ATOM 1267 NZ LYS A 81 6.693 -10.250 9.144 1.00 1.23 N ATOM 0 H LYS A 81 3.559 -12.762 6.538 1.00 0.38 H new ATOM 0 HA LYS A 81 1.084 -13.141 8.102 1.00 0.33 H new ATOM 0 HB2 LYS A 81 2.164 -10.413 7.805 1.00 0.40 H new ATOM 0 HB3 LYS A 81 1.573 -11.239 9.233 1.00 0.40 H new ATOM 0 HG2 LYS A 81 3.691 -12.289 9.629 1.00 0.91 H new ATOM 0 HG3 LYS A 81 4.289 -11.862 8.039 1.00 0.91 H new ATOM 0 HD2 LYS A 81 3.436 -9.457 9.419 1.00 1.02 H new ATOM 0 HD3 LYS A 81 4.517 -10.366 10.456 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.292 -10.032 7.571 1.00 0.87 H new ATOM 0 HE3 LYS A 81 5.427 -8.635 8.622 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 7.480 -9.892 8.567 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.815 -9.937 10.128 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 6.684 -11.289 9.110 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.355 -12.385 6.218 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.220 -11.904 5.159 1.00 0.24 C ATOM 1283 C GLY A 82 -2.161 -10.813 5.635 1.00 0.28 C ATOM 1284 O GLY A 82 -3.374 -10.896 5.453 1.00 0.53 O ATOM 0 H GLY A 82 -0.773 -13.085 6.830 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.610 -11.523 4.340 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.802 -12.736 4.763 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.586 -9.768 6.213 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.355 -8.625 6.685 1.00 0.28 C ATOM 1290 C ASN A 83 -1.798 -7.351 6.066 1.00 0.30 C ATOM 1291 O ASN A 83 -0.683 -6.943 6.387 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.303 -8.534 8.211 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.147 -7.395 8.753 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -3.538 -6.491 8.015 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.431 -7.435 10.049 1.00 0.96 N ATOM 0 H ASN A 83 -0.581 -9.688 6.367 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.396 -8.750 6.386 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -2.649 -9.474 8.640 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.269 -8.399 8.529 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -3.995 -6.697 10.471 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.086 -8.204 10.623 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.557 -6.731 5.169 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.093 -5.515 4.511 1.00 0.40 C ATOM 1304 C TYR A 84 -2.925 -4.304 4.910 1.00 0.35 C ATOM 1305 O TYR A 84 -4.152 -4.320 4.822 1.00 0.44 O ATOM 1306 CB TYR A 84 -2.115 -5.692 2.992 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.915 -6.441 2.460 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -0.810 -7.817 2.613 1.00 1.96 C ATOM 1309 CD2 TYR A 84 0.113 -5.772 1.807 1.00 1.74 C ATOM 1310 CE1 TYR A 84 0.285 -8.507 2.131 1.00 2.76 C ATOM 1311 CE2 TYR A 84 1.212 -6.456 1.321 1.00 2.46 C ATOM 1312 CZ TYR A 84 1.294 -7.822 1.488 1.00 2.86 C ATOM 1313 OH TYR A 84 2.387 -8.505 1.006 1.00 3.72 O ATOM 0 H TYR A 84 -3.484 -7.045 4.883 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.069 -5.335 4.837 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -3.022 -6.225 2.708 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -2.161 -4.711 2.519 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -1.598 -8.357 3.117 1.00 1.96 H new ATOM 0 HD2 TYR A 84 0.053 -4.702 1.677 1.00 1.74 H new ATOM 0 HE1 TYR A 84 0.351 -9.578 2.257 1.00 2.76 H new ATOM 0 HE2 TYR A 84 2.002 -5.923 0.813 1.00 2.46 H new ATOM 0 HH TYR A 84 3.120 -7.876 0.843 1.00 3.72 H new ATOM 1323 N THR A 85 -2.242 -3.250 5.349 1.00 0.32 N ATOM 1324 CA THR A 85 -2.908 -2.022 5.757 1.00 0.33 C ATOM 1325 C THR A 85 -2.344 -0.817 5.009 1.00 0.29 C ATOM 1326 O THR A 85 -1.154 -0.518 5.105 1.00 0.31 O ATOM 1327 CB THR A 85 -2.766 -1.785 7.272 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.659 -3.036 7.959 1.00 1.14 O ATOM 1329 CG2 THR A 85 -3.958 -1.007 7.809 1.00 1.00 C ATOM 0 H THR A 85 -1.226 -3.224 5.430 1.00 0.32 H new ATOM 0 HA THR A 85 -3.964 -2.136 5.512 1.00 0.33 H new ATOM 0 HB THR A 85 -1.861 -1.201 7.442 1.00 0.45 H new ATOM 0 HG1 THR A 85 -1.742 -3.374 7.883 1.00 1.14 H new ATOM 0 HG21 THR A 85 -3.837 -0.851 8.881 1.00 1.00 H new ATOM 0 HG22 THR A 85 -4.019 -0.042 7.306 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.873 -1.570 7.625 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.208 -0.122 4.271 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.788 1.055 3.514 1.00 0.30 C ATOM 1339 C CYS A 86 -3.189 2.335 4.234 1.00 0.30 C ATOM 1340 O CYS A 86 -4.366 2.692 4.277 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.397 1.049 2.112 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.869 2.452 1.073 1.00 0.65 S ATOM 0 H CYS A 86 -4.198 -0.352 4.181 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.702 1.019 3.429 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.128 0.118 1.613 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.484 1.062 2.198 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.204 3.030 4.785 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.456 4.279 5.484 1.00 0.30 C ATOM 1349 C VAL A 87 -1.913 5.455 4.686 1.00 0.31 C ATOM 1350 O VAL A 87 -0.709 5.692 4.661 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.811 4.282 6.884 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.138 5.571 7.622 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.266 3.072 7.684 1.00 0.97 C ATOM 0 H VAL A 87 -1.224 2.749 4.761 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.536 4.375 5.595 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.729 4.224 6.764 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.674 5.554 8.608 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.757 6.421 7.056 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.219 5.664 7.731 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.800 3.091 8.669 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -3.350 3.096 7.794 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -1.974 2.160 7.163 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.802 6.193 4.033 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.387 7.343 3.242 1.00 0.33 C ATOM 1365 C VAL A 88 -2.694 8.639 3.973 1.00 0.30 C ATOM 1366 O VAL A 88 -3.856 8.975 4.201 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.079 7.362 1.866 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -4.588 7.465 2.028 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -2.548 8.508 1.017 1.00 1.50 C ATOM 0 H VAL A 88 -3.807 6.017 4.035 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.311 7.256 3.091 1.00 0.33 H new ATOM 0 HB VAL A 88 -2.855 6.426 1.354 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -5.059 7.477 1.045 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -4.952 6.608 2.595 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -4.835 8.384 2.560 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -3.048 8.506 0.049 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -2.740 9.455 1.522 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -1.475 8.386 0.871 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.645 9.363 4.346 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.807 10.618 5.063 1.00 0.32 C ATOM 1381 C GLU A 89 -1.472 11.808 4.178 1.00 0.31 C ATOM 1382 O GLU A 89 -0.739 11.685 3.194 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.933 10.638 6.317 1.00 0.37 C ATOM 1384 CG GLU A 89 -1.104 11.896 7.155 1.00 0.43 C ATOM 1385 CD GLU A 89 -0.323 11.843 8.453 1.00 0.83 C ATOM 1386 OE1 GLU A 89 0.625 11.035 8.543 1.00 1.33 O ATOM 1387 OE2 GLU A 89 -0.658 12.610 9.378 1.00 1.46 O ATOM 0 H GLU A 89 -0.676 9.102 4.163 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.853 10.696 5.358 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -1.170 9.768 6.929 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.113 10.546 6.023 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -0.780 12.761 6.576 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -2.161 12.039 7.377 1.00 0.43 H new ATOM 1394 N ASN A 90 -1.995 12.967 4.554 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.746 14.202 3.832 1.00 0.36 C ATOM 1396 C ASN A 90 -1.619 15.351 4.824 1.00 0.43 C ATOM 1397 O ASN A 90 -1.700 15.143 6.035 1.00 0.39 O ATOM 1398 CB ASN A 90 -2.878 14.481 2.843 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.220 14.608 3.534 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.720 15.712 3.747 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -4.812 13.473 3.890 1.00 0.86 N ATOM 0 H ASN A 90 -2.602 13.075 5.366 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.817 14.105 3.270 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -2.664 15.400 2.297 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -2.924 13.677 2.109 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -5.717 13.495 4.360 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.361 12.579 3.694 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.441 16.559 4.317 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.326 17.728 5.178 1.00 0.66 C ATOM 1410 C GLU A 91 -2.667 18.058 5.842 1.00 0.68 C ATOM 1411 O GLU A 91 -2.725 18.888 6.749 1.00 0.75 O ATOM 1412 CB GLU A 91 -0.828 18.934 4.371 1.00 0.76 C ATOM 1413 CG GLU A 91 -0.914 20.257 5.117 1.00 1.15 C ATOM 1414 CD GLU A 91 -2.132 21.071 4.722 1.00 1.72 C ATOM 1415 OE1 GLU A 91 -2.149 21.601 3.591 1.00 2.34 O ATOM 1416 OE2 GLU A 91 -3.068 21.177 5.542 1.00 2.24 O ATOM 0 H GLU A 91 -1.373 16.758 3.319 1.00 0.57 H new ATOM 0 HA GLU A 91 -0.604 17.500 5.962 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.208 18.760 4.079 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -1.410 19.008 3.452 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -0.943 20.064 6.189 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -0.013 20.839 4.922 1.00 1.15 H new ATOM 1423 N TYR A 92 -3.745 17.430 5.374 1.00 0.64 N ATOM 1424 CA TYR A 92 -5.073 17.696 5.920 1.00 0.68 C ATOM 1425 C TYR A 92 -5.652 16.507 6.692 1.00 0.60 C ATOM 1426 O TYR A 92 -6.784 16.579 7.167 1.00 0.63 O ATOM 1427 CB TYR A 92 -6.029 18.095 4.797 1.00 0.75 C ATOM 1428 CG TYR A 92 -6.218 19.589 4.665 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -6.814 20.326 5.681 1.00 1.54 C ATOM 1430 CD2 TYR A 92 -5.800 20.264 3.525 1.00 1.64 C ATOM 1431 CE1 TYR A 92 -6.988 21.692 5.564 1.00 2.05 C ATOM 1432 CE2 TYR A 92 -5.970 21.629 3.400 1.00 2.10 C ATOM 1433 CZ TYR A 92 -6.565 22.338 4.422 1.00 2.19 C ATOM 1434 OH TYR A 92 -6.736 23.698 4.301 1.00 2.77 O ATOM 0 H TYR A 92 -3.725 16.739 4.624 1.00 0.64 H new ATOM 0 HA TYR A 92 -4.962 18.515 6.630 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -5.653 17.700 3.853 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -6.998 17.629 4.974 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -7.147 19.823 6.577 1.00 1.54 H new ATOM 0 HD2 TYR A 92 -5.334 19.712 2.722 1.00 1.64 H new ATOM 0 HE1 TYR A 92 -7.453 22.250 6.363 1.00 2.05 H new ATOM 0 HE2 TYR A 92 -5.639 22.138 2.507 1.00 2.10 H new ATOM 0 HH TYR A 92 -6.383 23.997 3.437 1.00 2.77 H new ATOM 1444 N GLY A 93 -4.895 15.419 6.829 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.415 14.273 7.564 1.00 0.47 C ATOM 1446 C GLY A 93 -4.781 12.950 7.180 1.00 0.40 C ATOM 1447 O GLY A 93 -4.022 12.867 6.213 1.00 0.40 O ATOM 0 H GLY A 93 -3.953 15.309 6.455 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.263 14.440 8.630 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.491 14.209 7.401 1.00 0.47 H new ATOM 1451 N SER A 94 -5.107 11.909 7.948 1.00 0.38 N ATOM 1452 CA SER A 94 -4.585 10.569 7.705 1.00 0.34 C ATOM 1453 C SER A 94 -5.713 9.540 7.675 1.00 0.34 C ATOM 1454 O SER A 94 -6.627 9.585 8.497 1.00 0.38 O ATOM 1455 CB SER A 94 -3.563 10.195 8.781 1.00 0.35 C ATOM 1456 OG SER A 94 -3.672 11.049 9.906 1.00 1.04 O ATOM 0 H SER A 94 -5.735 11.973 8.749 1.00 0.38 H new ATOM 0 HA SER A 94 -4.094 10.568 6.732 1.00 0.34 H new ATOM 0 HB2 SER A 94 -3.717 9.161 9.089 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.556 10.258 8.368 1.00 0.35 H new ATOM 0 HG SER A 94 -3.010 10.789 10.580 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.646 8.618 6.717 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.666 7.582 6.576 1.00 0.34 C ATOM 1464 C ILE A 95 -6.049 6.187 6.648 1.00 0.31 C ATOM 1465 O ILE A 95 -4.866 6.007 6.358 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.451 7.717 5.251 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.478 9.178 4.774 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.868 7.183 5.430 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.454 9.435 3.644 1.00 0.47 C ATOM 0 H ILE A 95 -4.896 8.567 6.027 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.358 7.718 7.407 1.00 0.34 H new ATOM 0 HB ILE A 95 -6.946 7.127 4.487 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.735 9.821 5.616 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.477 9.463 4.449 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.415 7.281 4.492 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.827 6.132 5.718 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.376 7.753 6.208 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.416 10.487 3.363 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.186 8.820 2.785 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.463 9.183 3.970 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.854 5.205 7.044 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.382 3.828 7.165 1.00 0.34 C ATOM 1483 C ASN A 96 -7.267 2.854 6.383 1.00 0.34 C ATOM 1484 O ASN A 96 -8.492 2.970 6.390 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.337 3.416 8.637 1.00 0.38 C ATOM 1486 CG ASN A 96 -7.700 3.489 9.296 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -8.353 2.469 9.513 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -8.138 4.701 9.617 1.00 1.12 N ATOM 0 H ASN A 96 -7.836 5.337 7.287 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.379 3.785 6.741 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -5.952 2.399 8.716 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.642 4.063 9.172 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -9.049 4.813 10.062 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -7.563 5.520 9.419 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.629 1.888 5.726 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.340 0.875 4.948 1.00 0.34 C ATOM 1497 C HIS A 97 -6.762 -0.512 5.224 1.00 0.33 C ATOM 1498 O HIS A 97 -5.547 -0.692 5.204 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.253 1.188 3.453 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.780 2.541 3.090 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -8.916 3.084 3.653 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -7.319 3.465 2.213 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -9.133 4.282 3.137 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -8.177 4.535 2.262 1.00 0.85 N ATOM 0 H HIS A 97 -5.614 1.785 5.717 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.388 0.887 5.249 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.213 1.116 3.136 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.808 0.431 2.899 1.00 0.36 H new ATOM 0 HD1 HIS A 97 -9.498 2.632 4.358 1.00 1.25 H new ATOM 0 HD2 HIS A 97 -6.440 3.376 1.591 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -9.951 4.940 3.388 1.00 1.06 H new ATOM 1513 N THR A 98 -7.631 -1.488 5.489 1.00 0.35 N ATOM 1514 CA THR A 98 -7.180 -2.851 5.776 1.00 0.35 C ATOM 1515 C THR A 98 -7.582 -3.824 4.668 1.00 0.35 C ATOM 1516 O THR A 98 -8.617 -3.653 4.025 1.00 0.36 O ATOM 1517 CB THR A 98 -7.746 -3.357 7.115 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.944 -2.257 8.010 1.00 1.33 O ATOM 1519 CG2 THR A 98 -6.807 -4.369 7.750 1.00 1.36 C ATOM 0 H THR A 98 -8.643 -1.363 5.511 1.00 0.35 H new ATOM 0 HA THR A 98 -6.092 -2.811 5.835 1.00 0.35 H new ATOM 0 HB THR A 98 -8.702 -3.843 6.920 1.00 0.38 H new ATOM 0 HG1 THR A 98 -8.306 -2.587 8.859 1.00 1.33 H new ATOM 0 HG21 THR A 98 -7.228 -4.713 8.695 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.680 -5.219 7.079 1.00 1.36 H new ATOM 0 HG23 THR A 98 -5.839 -3.903 7.932 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.752 -4.846 4.450 1.00 0.39 N ATOM 1528 CA TYR A 99 -7.022 -5.847 3.420 1.00 0.42 C ATOM 1529 C TYR A 99 -6.729 -7.261 3.922 1.00 0.42 C ATOM 1530 O TYR A 99 -5.718 -7.502 4.585 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.194 -5.551 2.171 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.128 -4.079 1.840 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -7.169 -3.453 1.170 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -5.019 -3.319 2.188 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -7.110 -2.109 0.858 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -4.952 -1.975 1.881 1.00 0.96 C ATOM 1537 CZ TYR A 99 -6.014 -1.367 1.245 1.00 0.81 C ATOM 1538 OH TYR A 99 -5.937 -0.035 0.907 1.00 0.96 O ATOM 0 H TYR A 99 -5.890 -5.001 4.972 1.00 0.39 H new ATOM 0 HA TYR A 99 -8.082 -5.794 3.171 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.182 -5.931 2.314 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -6.620 -6.089 1.324 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -8.040 -4.026 0.888 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -4.196 -3.787 2.707 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -7.918 -1.642 0.314 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -4.073 -1.403 2.137 1.00 0.96 H new ATOM 0 HH TYR A 99 -5.366 0.070 0.117 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.635 -8.187 3.609 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.495 -9.578 4.036 1.00 0.44 C ATOM 1550 C HIS A 100 -6.663 -10.403 3.051 1.00 0.42 C ATOM 1551 O HIS A 100 -7.117 -10.736 1.949 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.870 -10.223 4.218 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.908 -9.289 4.757 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -11.135 -9.104 4.159 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -9.898 -8.487 5.848 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -11.836 -8.229 4.857 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -11.107 -7.838 5.887 1.00 1.70 N ATOM 0 H HIS A 100 -8.474 -7.998 3.061 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.968 -9.567 4.990 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.208 -10.613 3.258 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.775 -11.074 4.892 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -9.089 -8.378 6.556 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -12.835 -7.891 4.625 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -11.396 -7.164 6.596 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.445 -10.742 3.472 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.536 -11.539 2.656 1.00 0.45 C ATOM 1568 C LEU A 101 -4.231 -12.876 3.332 1.00 0.48 C ATOM 1569 O LEU A 101 -4.206 -12.972 4.558 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.231 -10.775 2.414 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.247 -9.834 1.209 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -3.236 -10.628 -0.088 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -4.458 -8.916 1.266 1.00 1.63 C ATOM 0 H LEU A 101 -5.065 -10.474 4.380 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.022 -11.733 1.700 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.997 -10.194 3.306 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.424 -11.496 2.282 1.00 0.51 H new ATOM 0 HG LEU A 101 -2.348 -9.218 1.240 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -3.248 -9.942 -0.935 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -2.337 -11.242 -0.131 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -4.116 -11.270 -0.129 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -4.453 -8.253 0.401 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -5.369 -9.515 1.260 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -4.421 -8.321 2.179 1.00 1.63 H new ATOM 1585 N ASP A 102 -3.996 -13.906 2.528 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.687 -15.232 3.055 1.00 0.57 C ATOM 1587 C ASP A 102 -2.509 -15.848 2.309 1.00 0.54 C ATOM 1588 O ASP A 102 -2.553 -16.016 1.090 1.00 0.53 O ATOM 1589 CB ASP A 102 -4.906 -16.151 2.965 1.00 0.65 C ATOM 1590 CG ASP A 102 -5.312 -16.705 4.316 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -5.768 -15.914 5.170 1.00 1.38 O ATOM 1592 OD2 ASP A 102 -5.180 -17.929 4.520 1.00 2.34 O ATOM 0 H ASP A 102 -4.013 -13.850 1.510 1.00 0.50 H new ATOM 0 HA ASP A 102 -3.415 -15.120 4.104 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.742 -15.600 2.535 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -4.686 -16.976 2.288 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.455 -16.171 3.052 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.253 -16.755 2.468 1.00 0.68 C ATOM 1599 C VAL A 103 -0.438 -18.234 2.154 1.00 0.66 C ATOM 1600 O VAL A 103 -0.907 -19.007 2.991 1.00 0.75 O ATOM 1601 CB VAL A 103 0.955 -16.593 3.408 1.00 0.89 C ATOM 1602 CG1 VAL A 103 0.720 -17.337 4.713 1.00 1.56 C ATOM 1603 CG2 VAL A 103 2.226 -17.080 2.729 1.00 1.60 C ATOM 0 H VAL A 103 -1.409 -16.038 4.062 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.067 -16.218 1.538 1.00 0.68 H new ATOM 0 HB VAL A 103 1.075 -15.534 3.638 1.00 0.89 H new ATOM 0 HG11 VAL A 103 1.585 -17.211 5.365 1.00 1.56 H new ATOM 0 HG12 VAL A 103 -0.167 -16.937 5.205 1.00 1.56 H new ATOM 0 HG13 VAL A 103 0.573 -18.397 4.506 1.00 1.56 H new ATOM 0 HG21 VAL A 103 3.070 -16.958 3.407 1.00 1.60 H new ATOM 0 HG22 VAL A 103 2.119 -18.133 2.468 1.00 1.60 H new ATOM 0 HG23 VAL A 103 2.401 -16.498 1.824 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.058 -18.620 0.940 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.169 -20.005 0.505 1.00 0.73 C ATOM 1615 C VAL A 104 1.194 -20.556 0.099 1.00 0.83 C ATOM 1616 O VAL A 104 1.817 -20.063 -0.845 1.00 0.84 O ATOM 1617 CB VAL A 104 -1.142 -20.148 -0.680 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -1.494 -21.609 -0.913 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -2.397 -19.321 -0.447 1.00 1.27 C ATOM 0 H VAL A 104 0.331 -17.989 0.239 1.00 0.66 H new ATOM 0 HA VAL A 104 -0.556 -20.575 1.350 1.00 0.73 H new ATOM 0 HB VAL A 104 -0.648 -19.771 -1.575 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -2.182 -21.688 -1.754 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -0.586 -22.171 -1.133 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -1.966 -22.017 -0.019 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -3.071 -19.436 -1.296 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -2.895 -19.663 0.461 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -2.126 -18.271 -0.339 1.00 1.27 H new TER 1629 VAL A 104