USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 91:sc= 0.834 USER MOD Set 1.2: A 72 TYR OH : rot 130:sc= 0.728 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= -1.11 USER MOD Set 2.2: A 62 THR OG1 : rot -113:sc= 1.01 USER MOD Set 3.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 59 ASN : amide:sc= -2.42! C(o=-2.4!,f=-5.5!) USER MOD Set 4.1: A 34 THR OG1 : rot 180:sc= -0.0125 USER MOD Set 4.2: A 35 SER OG : rot -6:sc= -0.754! USER MOD Set 4.3: A 55 ASN : amide:sc= -0.129 K(o=-0.89,f=0.44) USER MOD Set 5.1: A 14 THR OG1 : rot 87:sc= 1.11 USER MOD Set 5.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 SER N :NH3+ -104:sc= 0.509 (180deg=-0.271) USER MOD Single : A 0 SER OG : rot 180:sc= 0.205 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.019) USER MOD Single : A 16 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.012) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 26:sc= 0.436 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc=-0.000421 (180deg=-0.0625) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.14 K(o=-1.1,f=0.25) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.902 K(o=-0.9,f=-4.3!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.335 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -13.4! C(o=-13!,f=-20!) USER MOD Single : A 86 SER OG : rot -93:sc= -0.757 USER MOD Single : A 89 SER OG : rot -92:sc= -1.15! USER MOD Single : A 92 SER OG : rot -109:sc= -2.2! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 77:sc= -0.0279 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.185 -4.235 -5.976 1.00 2.05 N ATOM 2 CA SER A 0 -24.252 -3.533 -5.057 1.00 1.55 C ATOM 3 C SER A 0 -22.796 -3.804 -5.434 1.00 1.39 C ATOM 4 O SER A 0 -22.141 -4.658 -4.838 1.00 1.50 O ATOM 5 CB SER A 0 -24.526 -4.012 -3.630 1.00 2.08 C ATOM 6 OG SER A 0 -25.771 -4.683 -3.548 1.00 2.74 O ATOM 0 H1 SER A 0 -25.595 -3.551 -6.644 1.00 2.05 H new ATOM 0 H2 SER A 0 -24.668 -4.967 -6.503 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.947 -4.679 -5.425 1.00 2.05 H new ATOM 0 HA SER A 0 -24.415 -2.458 -5.132 1.00 1.55 H new ATOM 0 HB2 SER A 0 -23.727 -4.680 -3.308 1.00 2.08 H new ATOM 0 HB3 SER A 0 -24.523 -3.160 -2.950 1.00 2.08 H new ATOM 0 HG SER A 0 -25.922 -4.981 -2.627 1.00 2.74 H new ATOM 12 N PRO A 1 -22.270 -3.076 -6.436 1.00 1.23 N ATOM 13 CA PRO A 1 -20.893 -3.241 -6.894 1.00 1.19 C ATOM 14 C PRO A 1 -19.900 -2.423 -6.074 1.00 1.24 C ATOM 15 O PRO A 1 -20.044 -1.207 -5.944 1.00 2.06 O ATOM 16 CB PRO A 1 -20.959 -2.722 -8.327 1.00 1.18 C ATOM 17 CG PRO A 1 -21.998 -1.652 -8.289 1.00 1.26 C ATOM 18 CD PRO A 1 -22.979 -2.036 -7.206 1.00 1.24 C ATOM 0 HA PRO A 1 -20.544 -4.270 -6.802 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.996 -2.329 -8.651 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -21.231 -3.515 -9.024 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.547 -0.683 -8.077 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.500 -1.566 -9.253 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -23.237 -1.182 -6.580 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.910 -2.416 -7.627 1.00 1.24 H new ATOM 26 N ILE A 2 -18.893 -3.096 -5.528 1.00 0.68 N ATOM 27 CA ILE A 2 -17.875 -2.429 -4.724 1.00 0.61 C ATOM 28 C ILE A 2 -16.615 -2.171 -5.546 1.00 0.57 C ATOM 29 O ILE A 2 -16.258 -2.963 -6.419 1.00 0.63 O ATOM 30 CB ILE A 2 -17.502 -3.260 -3.477 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.486 -2.497 -2.613 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.956 -4.619 -3.894 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.788 -3.347 -1.565 1.00 0.56 C ATOM 0 H ILE A 2 -18.760 -4.102 -5.627 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.299 -1.479 -4.400 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.399 -3.424 -2.879 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.733 -2.055 -3.265 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.998 -1.674 -2.114 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.697 -5.195 -3.006 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.713 -5.155 -4.466 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.067 -4.481 -4.509 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -15.089 -2.729 -1.002 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.529 -3.768 -0.886 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.244 -4.155 -2.055 1.00 0.56 H new ATOM 45 N ASP A 3 -15.947 -1.059 -5.259 1.00 0.55 N ATOM 46 CA ASP A 3 -14.725 -0.689 -5.962 1.00 0.54 C ATOM 47 C ASP A 3 -13.628 -0.338 -4.962 1.00 0.47 C ATOM 48 O ASP A 3 -13.874 0.376 -3.990 1.00 0.49 O ATOM 49 CB ASP A 3 -14.988 0.495 -6.897 1.00 0.61 C ATOM 50 CG ASP A 3 -15.589 0.066 -8.220 1.00 1.15 C ATOM 51 OD1 ASP A 3 -14.928 -0.701 -8.952 1.00 1.64 O ATOM 52 OD2 ASP A 3 -16.721 0.496 -8.526 1.00 2.00 O ATOM 0 H ASP A 3 -16.234 -0.395 -4.540 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.395 -1.539 -6.560 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.661 1.199 -6.407 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.053 1.024 -7.081 1.00 0.61 H new ATOM 57 N PRO A 4 -12.402 -0.839 -5.178 1.00 0.44 N ATOM 58 CA PRO A 4 -11.278 -0.579 -4.283 1.00 0.41 C ATOM 59 C PRO A 4 -10.586 0.754 -4.571 1.00 0.38 C ATOM 60 O PRO A 4 -10.929 1.447 -5.528 1.00 0.43 O ATOM 61 CB PRO A 4 -10.353 -1.754 -4.571 1.00 0.45 C ATOM 62 CG PRO A 4 -10.568 -2.044 -6.017 1.00 0.50 C ATOM 63 CD PRO A 4 -12.012 -1.708 -6.306 1.00 0.50 C ATOM 0 HA PRO A 4 -11.584 -0.497 -3.240 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.313 -1.501 -4.366 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.600 -2.616 -3.951 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.898 -1.448 -6.637 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.360 -3.091 -6.239 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.120 -1.196 -7.262 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.630 -2.605 -6.353 1.00 0.50 H new ATOM 71 N PRO A 5 -9.601 1.131 -3.736 1.00 0.37 N ATOM 72 CA PRO A 5 -8.861 2.389 -3.892 1.00 0.39 C ATOM 73 C PRO A 5 -8.031 2.429 -5.174 1.00 0.38 C ATOM 74 O PRO A 5 -7.905 1.427 -5.876 1.00 0.47 O ATOM 75 CB PRO A 5 -7.944 2.436 -2.660 1.00 0.46 C ATOM 76 CG PRO A 5 -8.486 1.412 -1.717 1.00 0.71 C ATOM 77 CD PRO A 5 -9.136 0.365 -2.570 1.00 0.43 C ATOM 0 HA PRO A 5 -9.538 3.240 -3.965 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.912 2.212 -2.931 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.947 3.427 -2.207 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.690 0.981 -1.110 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.206 1.857 -1.030 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.433 -0.417 -2.855 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.962 -0.122 -2.052 1.00 0.43 H new ATOM 85 N GLY A 6 -7.471 3.600 -5.470 1.00 0.37 N ATOM 86 CA GLY A 6 -6.662 3.762 -6.667 1.00 0.39 C ATOM 87 C GLY A 6 -5.282 3.145 -6.533 1.00 0.42 C ATOM 88 O GLY A 6 -4.900 2.695 -5.452 1.00 0.66 O ATOM 0 H GLY A 6 -7.563 4.441 -4.901 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.178 3.307 -7.513 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.560 4.824 -6.890 1.00 0.39 H new ATOM 92 N LYS A 7 -4.531 3.124 -7.633 1.00 0.41 N ATOM 93 CA LYS A 7 -3.184 2.561 -7.632 1.00 0.44 C ATOM 94 C LYS A 7 -2.264 3.365 -6.715 1.00 0.37 C ATOM 95 O LYS A 7 -2.114 4.573 -6.891 1.00 0.42 O ATOM 96 CB LYS A 7 -2.609 2.548 -9.050 1.00 0.54 C ATOM 97 CG LYS A 7 -1.156 2.103 -9.110 1.00 0.64 C ATOM 98 CD LYS A 7 -0.691 1.894 -10.542 1.00 1.01 C ATOM 99 CE LYS A 7 0.426 0.867 -10.620 1.00 0.95 C ATOM 100 NZ LYS A 7 1.285 1.068 -11.817 1.00 1.52 N ATOM 0 H LYS A 7 -4.833 3.491 -8.536 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.247 1.538 -7.262 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.210 1.884 -9.671 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.693 3.547 -9.477 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.526 2.851 -8.628 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.036 1.176 -8.549 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.531 1.567 -11.154 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.345 2.841 -10.955 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.038 0.928 -9.720 1.00 0.95 H new ATOM 0 HE3 LYS A 7 -0.003 -0.134 -10.646 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.034 0.347 -11.832 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.707 0.984 -12.677 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.716 2.014 -11.780 1.00 1.52 H new ATOM 114 N PRO A 8 -1.633 2.716 -5.718 1.00 0.34 N ATOM 115 CA PRO A 8 -0.729 3.399 -4.779 1.00 0.32 C ATOM 116 C PRO A 8 0.524 3.947 -5.460 1.00 0.33 C ATOM 117 O PRO A 8 1.193 3.242 -6.214 1.00 0.44 O ATOM 118 CB PRO A 8 -0.362 2.300 -3.772 1.00 0.39 C ATOM 119 CG PRO A 8 -1.426 1.272 -3.943 1.00 0.44 C ATOM 120 CD PRO A 8 -1.736 1.278 -5.407 1.00 0.41 C ATOM 0 HA PRO A 8 -1.201 4.270 -4.325 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.626 1.887 -3.976 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.342 2.685 -2.753 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.083 0.290 -3.616 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.309 1.515 -3.351 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.026 0.682 -5.980 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.729 0.882 -5.619 1.00 0.41 H new ATOM 128 N VAL A 9 0.831 5.214 -5.186 1.00 0.34 N ATOM 129 CA VAL A 9 2.001 5.869 -5.766 1.00 0.38 C ATOM 130 C VAL A 9 2.860 6.503 -4.671 1.00 0.34 C ATOM 131 O VAL A 9 2.470 7.508 -4.076 1.00 0.35 O ATOM 132 CB VAL A 9 1.599 6.964 -6.778 1.00 0.43 C ATOM 133 CG1 VAL A 9 2.725 7.211 -7.769 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.314 6.591 -7.503 1.00 1.09 C ATOM 0 H VAL A 9 0.283 5.808 -4.564 1.00 0.34 H new ATOM 0 HA VAL A 9 2.570 5.099 -6.288 1.00 0.38 H new ATOM 0 HB VAL A 9 1.416 7.887 -6.227 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.425 7.985 -8.475 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.617 7.535 -7.233 1.00 0.53 H new ATOM 0 HG13 VAL A 9 2.941 6.290 -8.311 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.053 7.379 -8.210 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.459 5.654 -8.041 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.491 6.473 -6.778 1.00 1.09 H new ATOM 144 N PRO A 10 4.036 5.922 -4.378 1.00 0.34 N ATOM 145 CA PRO A 10 4.928 6.435 -3.338 1.00 0.32 C ATOM 146 C PRO A 10 5.382 7.873 -3.565 1.00 0.37 C ATOM 147 O PRO A 10 6.108 8.164 -4.517 1.00 0.64 O ATOM 148 CB PRO A 10 6.134 5.498 -3.381 1.00 0.38 C ATOM 149 CG PRO A 10 5.654 4.270 -4.070 1.00 0.39 C ATOM 150 CD PRO A 10 4.579 4.715 -5.020 1.00 0.42 C ATOM 0 HA PRO A 10 4.412 6.458 -2.378 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.965 5.952 -3.920 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.492 5.271 -2.377 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.468 3.781 -4.605 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.265 3.548 -3.352 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.982 4.932 -6.009 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.814 3.949 -5.149 1.00 0.42 H new ATOM 158 N LEU A 11 4.971 8.765 -2.667 1.00 0.34 N ATOM 159 CA LEU A 11 5.359 10.168 -2.748 1.00 0.43 C ATOM 160 C LEU A 11 6.786 10.314 -2.243 1.00 0.43 C ATOM 161 O LEU A 11 7.586 11.077 -2.785 1.00 0.57 O ATOM 162 CB LEU A 11 4.419 11.038 -1.912 1.00 0.56 C ATOM 163 CG LEU A 11 2.953 10.607 -1.919 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.615 9.849 -0.644 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.044 11.817 -2.078 1.00 1.64 C ATOM 0 H LEU A 11 4.369 8.540 -1.875 1.00 0.34 H new ATOM 0 HA LEU A 11 5.295 10.498 -3.785 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.775 11.042 -0.882 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.481 12.064 -2.275 1.00 0.56 H new ATOM 0 HG LEU A 11 2.792 9.942 -2.767 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.567 9.550 -0.666 1.00 1.12 H new ATOM 0 HD12 LEU A 11 3.244 8.962 -0.570 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.791 10.491 0.219 1.00 1.12 H new ATOM 0 HD21 LEU A 11 1.003 11.492 -2.081 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.207 12.506 -1.249 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.270 12.321 -3.018 1.00 1.64 H new ATOM 177 N ASN A 12 7.089 9.549 -1.200 1.00 0.34 N ATOM 178 CA ASN A 12 8.410 9.536 -0.592 1.00 0.36 C ATOM 179 C ASN A 12 8.831 8.091 -0.371 1.00 0.37 C ATOM 180 O ASN A 12 7.992 7.238 -0.090 1.00 0.58 O ATOM 181 CB ASN A 12 8.403 10.297 0.735 1.00 0.42 C ATOM 182 CG ASN A 12 9.786 10.775 1.134 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.068 11.973 1.119 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.657 9.839 1.493 1.00 0.71 N ATOM 0 H ASN A 12 6.422 8.920 -0.753 1.00 0.34 H new ATOM 0 HA ASN A 12 9.120 10.031 -1.255 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.734 11.154 0.656 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.004 9.653 1.518 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.603 10.102 1.771 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.380 8.857 1.491 1.00 0.71 H new ATOM 191 N ILE A 13 10.116 7.802 -0.510 1.00 0.38 N ATOM 192 CA ILE A 13 10.583 6.438 -0.331 1.00 0.43 C ATOM 193 C ILE A 13 11.920 6.368 0.390 1.00 0.53 C ATOM 194 O ILE A 13 12.980 6.519 -0.218 1.00 0.75 O ATOM 195 CB ILE A 13 10.693 5.718 -1.680 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.378 6.634 -2.703 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.306 5.296 -2.149 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.240 6.174 -4.137 1.00 0.96 C ATOM 0 H ILE A 13 10.842 8.480 -0.742 1.00 0.38 H new ATOM 0 HA ILE A 13 9.841 5.939 0.292 1.00 0.43 H new ATOM 0 HB ILE A 13 11.302 4.820 -1.573 1.00 0.48 H new ATOM 0 HG12 ILE A 13 10.960 7.637 -2.613 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.437 6.707 -2.457 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.386 4.784 -3.108 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.863 4.623 -1.415 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.675 6.178 -2.260 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.752 6.876 -4.795 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.684 5.185 -4.246 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.184 6.129 -4.405 1.00 0.96 H new ATOM 210 N THR A 14 11.858 6.119 1.692 1.00 0.59 N ATOM 211 CA THR A 14 13.054 6.002 2.509 1.00 0.71 C ATOM 212 C THR A 14 13.515 4.549 2.524 1.00 0.79 C ATOM 213 O THR A 14 12.700 3.630 2.444 1.00 1.46 O ATOM 214 CB THR A 14 12.783 6.489 3.935 1.00 0.75 C ATOM 215 OG1 THR A 14 11.590 7.250 3.987 1.00 0.69 O ATOM 216 CG2 THR A 14 13.894 7.348 4.498 1.00 0.94 C ATOM 0 H THR A 14 10.985 5.994 2.205 1.00 0.59 H new ATOM 0 HA THR A 14 13.839 6.626 2.082 1.00 0.71 H new ATOM 0 HB THR A 14 12.704 5.583 4.536 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.825 6.651 4.116 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.636 7.658 5.511 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.821 6.776 4.519 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.026 8.230 3.871 1.00 0.94 H new ATOM 224 N ARG A 15 14.820 4.344 2.613 1.00 0.66 N ATOM 225 CA ARG A 15 15.377 2.992 2.618 1.00 0.67 C ATOM 226 C ARG A 15 14.738 2.106 3.692 1.00 0.71 C ATOM 227 O ARG A 15 14.834 0.881 3.621 1.00 1.19 O ATOM 228 CB ARG A 15 16.906 3.012 2.783 1.00 0.80 C ATOM 229 CG ARG A 15 17.462 4.212 3.538 1.00 0.96 C ATOM 230 CD ARG A 15 16.800 4.391 4.895 1.00 1.13 C ATOM 231 NE ARG A 15 17.782 4.489 5.971 1.00 1.43 N ATOM 232 CZ ARG A 15 17.545 5.081 7.139 1.00 1.67 C ATOM 233 NH1 ARG A 15 16.360 5.625 7.377 1.00 1.90 N ATOM 234 NH2 ARG A 15 18.491 5.130 8.068 1.00 2.42 N ATOM 0 H ARG A 15 15.513 5.089 2.683 1.00 0.66 H new ATOM 0 HA ARG A 15 15.140 2.558 1.646 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.211 2.103 3.302 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.362 2.982 1.794 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.537 4.089 3.673 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.317 5.113 2.943 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.184 5.290 4.883 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.133 3.550 5.087 1.00 1.13 H new ATOM 0 HE ARG A 15 18.704 4.080 5.819 1.00 1.43 H new ATOM 0 HH11 ARG A 15 15.630 5.590 6.665 1.00 1.90 H new ATOM 0 HH12 ARG A 15 16.178 6.079 8.272 1.00 1.90 H new ATOM 0 HH21 ARG A 15 19.404 4.713 7.888 1.00 2.42 H new ATOM 0 HH22 ARG A 15 18.305 5.585 8.962 1.00 2.42 H new ATOM 248 N HIS A 16 14.086 2.713 4.685 1.00 0.50 N ATOM 249 CA HIS A 16 13.449 1.938 5.747 1.00 0.54 C ATOM 250 C HIS A 16 11.975 2.308 5.931 1.00 0.57 C ATOM 251 O HIS A 16 11.275 1.691 6.733 1.00 0.97 O ATOM 252 CB HIS A 16 14.194 2.132 7.066 1.00 0.67 C ATOM 253 CG HIS A 16 15.265 1.114 7.302 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.281 0.250 8.374 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.374 0.826 6.572 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.374 -0.516 8.268 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.071 -0.208 7.191 1.00 0.86 N ATOM 0 H HIS A 16 13.986 3.724 4.775 1.00 0.50 H new ATOM 0 HA HIS A 16 13.494 0.891 5.448 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.640 3.127 7.079 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.479 2.092 7.887 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.668 1.320 5.658 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.649 -1.286 8.973 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.941 -0.638 6.877 1.00 0.86 H new ATOM 265 N THR A 17 11.501 3.310 5.193 1.00 0.43 N ATOM 266 CA THR A 17 10.107 3.735 5.300 1.00 0.42 C ATOM 267 C THR A 17 9.617 4.341 3.993 1.00 0.38 C ATOM 268 O THR A 17 10.115 5.374 3.551 1.00 0.56 O ATOM 269 CB THR A 17 9.942 4.754 6.429 1.00 0.56 C ATOM 270 OG1 THR A 17 11.189 5.335 6.768 1.00 0.65 O ATOM 271 CG2 THR A 17 9.351 4.164 7.690 1.00 0.68 C ATOM 0 H THR A 17 12.056 3.839 4.520 1.00 0.43 H new ATOM 0 HA THR A 17 9.508 2.851 5.522 1.00 0.42 H new ATOM 0 HB THR A 17 9.251 5.502 6.041 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.062 5.985 7.490 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.262 4.942 8.449 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.364 3.755 7.473 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.000 3.370 8.059 1.00 0.68 H new ATOM 279 N VAL A 18 8.633 3.696 3.379 1.00 0.27 N ATOM 280 CA VAL A 18 8.077 4.179 2.125 1.00 0.33 C ATOM 281 C VAL A 18 6.707 4.817 2.339 1.00 0.32 C ATOM 282 O VAL A 18 5.857 4.272 3.041 1.00 0.51 O ATOM 283 CB VAL A 18 7.960 3.045 1.093 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.369 3.572 -0.204 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.318 2.406 0.847 1.00 0.46 C ATOM 0 H VAL A 18 8.205 2.839 3.730 1.00 0.27 H new ATOM 0 HA VAL A 18 8.763 4.934 1.741 1.00 0.33 H new ATOM 0 HB VAL A 18 7.292 2.280 1.489 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.292 2.759 -0.926 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.377 3.982 -0.012 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.013 4.354 -0.606 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.216 1.606 0.114 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.011 3.158 0.469 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.702 1.996 1.781 1.00 0.46 H new ATOM 295 N THR A 19 6.505 5.978 1.730 1.00 0.27 N ATOM 296 CA THR A 19 5.245 6.706 1.847 1.00 0.24 C ATOM 297 C THR A 19 4.505 6.721 0.511 1.00 0.22 C ATOM 298 O THR A 19 5.041 7.200 -0.487 1.00 0.34 O ATOM 299 CB THR A 19 5.527 8.143 2.311 1.00 0.28 C ATOM 300 OG1 THR A 19 5.795 8.176 3.702 1.00 0.35 O ATOM 301 CG2 THR A 19 4.391 9.113 2.042 1.00 0.32 C ATOM 0 H THR A 19 7.202 6.440 1.146 1.00 0.27 H new ATOM 0 HA THR A 19 4.614 6.204 2.580 1.00 0.24 H new ATOM 0 HB THR A 19 6.391 8.461 1.727 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.973 9.099 3.979 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.668 10.105 2.398 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.194 9.154 0.971 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.495 8.777 2.563 1.00 0.32 H new ATOM 309 N LEU A 20 3.271 6.213 0.500 1.00 0.28 N ATOM 310 CA LEU A 20 2.479 6.195 -0.724 1.00 0.26 C ATOM 311 C LEU A 20 1.077 6.741 -0.509 1.00 0.28 C ATOM 312 O LEU A 20 0.493 6.623 0.571 1.00 0.40 O ATOM 313 CB LEU A 20 2.404 4.789 -1.338 1.00 0.33 C ATOM 314 CG LEU A 20 2.730 3.623 -0.402 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.190 3.666 0.005 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.828 3.634 0.821 1.00 0.52 C ATOM 0 H LEU A 20 2.806 5.814 1.316 1.00 0.28 H new ATOM 0 HA LEU A 20 2.995 6.851 -1.425 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.399 4.641 -1.732 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.088 4.749 -2.186 1.00 0.33 H new ATOM 0 HG LEU A 20 2.548 2.693 -0.940 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.407 2.831 0.671 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.818 3.595 -0.883 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.396 4.604 0.521 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.082 2.795 1.468 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.966 4.568 1.367 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.788 3.548 0.507 1.00 0.52 H new ATOM 328 N LYS A 21 0.553 7.340 -1.570 1.00 0.25 N ATOM 329 CA LYS A 21 -0.780 7.928 -1.566 1.00 0.31 C ATOM 330 C LYS A 21 -1.538 7.493 -2.817 1.00 0.31 C ATOM 331 O LYS A 21 -0.970 7.441 -3.908 1.00 0.51 O ATOM 332 CB LYS A 21 -0.675 9.461 -1.499 1.00 0.40 C ATOM 333 CG LYS A 21 -1.934 10.201 -1.939 1.00 0.81 C ATOM 334 CD LYS A 21 -3.078 9.987 -0.964 1.00 0.95 C ATOM 335 CE LYS A 21 -4.212 10.970 -1.210 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.683 11.603 0.053 1.00 1.84 N ATOM 0 H LYS A 21 1.042 7.432 -2.460 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.327 7.581 -0.689 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.437 9.752 -0.476 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.158 9.783 -2.124 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.720 11.267 -2.022 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.231 9.858 -2.930 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.452 8.968 -1.059 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.713 10.099 0.057 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.878 11.744 -1.901 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -5.043 10.453 -1.689 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -5.456 12.266 -0.158 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -5.026 10.867 0.703 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.897 12.119 0.497 1.00 1.84 H new ATOM 350 N TRP A 22 -2.817 7.178 -2.656 1.00 0.25 N ATOM 351 CA TRP A 22 -3.630 6.744 -3.782 1.00 0.24 C ATOM 352 C TRP A 22 -4.927 7.537 -3.885 1.00 0.24 C ATOM 353 O TRP A 22 -5.148 8.492 -3.141 1.00 0.40 O ATOM 354 CB TRP A 22 -3.931 5.260 -3.656 1.00 0.27 C ATOM 355 CG TRP A 22 -4.490 4.867 -2.329 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.790 4.581 -2.047 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.766 4.712 -1.105 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.923 4.253 -0.720 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.693 4.328 -0.120 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.424 4.860 -0.745 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.322 4.089 1.200 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.055 4.622 0.566 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.002 4.240 1.525 1.00 0.32 C ATOM 0 H TRP A 22 -3.310 7.215 -1.764 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.063 6.927 -4.695 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.637 4.975 -4.436 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.015 4.697 -3.835 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.599 4.608 -2.762 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.795 3.996 -0.257 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.688 5.155 -1.478 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.050 3.795 1.941 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.020 4.732 0.855 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.683 4.061 2.541 1.00 0.32 H new ATOM 374 N ALA A 23 -5.776 7.134 -4.825 1.00 0.31 N ATOM 375 CA ALA A 23 -7.050 7.802 -5.048 1.00 0.33 C ATOM 376 C ALA A 23 -8.183 7.148 -4.267 1.00 0.36 C ATOM 377 O ALA A 23 -7.982 6.162 -3.559 1.00 0.83 O ATOM 378 CB ALA A 23 -7.379 7.810 -6.533 1.00 0.36 C ATOM 0 H ALA A 23 -5.602 6.344 -5.446 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.952 8.826 -4.688 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.334 8.312 -6.691 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.596 8.340 -7.076 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.443 6.785 -6.897 1.00 0.36 H new ATOM 384 N LYS A 24 -9.375 7.715 -4.412 1.00 0.59 N ATOM 385 CA LYS A 24 -10.564 7.211 -3.739 1.00 0.61 C ATOM 386 C LYS A 24 -11.492 6.534 -4.744 1.00 0.59 C ATOM 387 O LYS A 24 -11.675 7.031 -5.855 1.00 0.69 O ATOM 388 CB LYS A 24 -11.293 8.364 -3.042 1.00 0.74 C ATOM 389 CG LYS A 24 -12.367 7.915 -2.066 1.00 1.21 C ATOM 390 CD LYS A 24 -13.652 7.541 -2.790 1.00 1.22 C ATOM 391 CE LYS A 24 -14.853 8.258 -2.198 1.00 1.55 C ATOM 392 NZ LYS A 24 -16.126 7.535 -2.480 1.00 2.11 N ATOM 0 H LYS A 24 -9.543 8.533 -4.997 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.264 6.476 -2.992 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.563 8.972 -2.508 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.748 9.003 -3.799 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.007 7.059 -1.495 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.569 8.713 -1.352 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.562 7.792 -3.847 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.804 6.463 -2.730 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.722 8.356 -1.120 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.911 9.267 -2.606 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.922 8.056 -2.059 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -16.264 7.463 -3.508 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.082 6.581 -2.069 1.00 2.11 H new ATOM 406 N PRO A 25 -12.088 5.388 -4.374 1.00 0.56 N ATOM 407 CA PRO A 25 -12.994 4.652 -5.260 1.00 0.63 C ATOM 408 C PRO A 25 -13.983 5.565 -5.977 1.00 0.75 C ATOM 409 O PRO A 25 -14.071 6.758 -5.684 1.00 0.89 O ATOM 410 CB PRO A 25 -13.720 3.710 -4.307 1.00 0.63 C ATOM 411 CG PRO A 25 -12.738 3.454 -3.216 1.00 0.71 C ATOM 412 CD PRO A 25 -11.926 4.715 -3.069 1.00 0.58 C ATOM 0 HA PRO A 25 -12.459 4.143 -6.062 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.633 4.162 -3.921 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -14.009 2.785 -4.806 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.248 3.210 -2.284 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.098 2.606 -3.461 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.293 5.334 -2.250 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.879 4.495 -2.859 1.00 0.58 H new ATOM 420 N GLU A 26 -14.722 4.996 -6.923 1.00 0.85 N ATOM 421 CA GLU A 26 -15.697 5.760 -7.692 1.00 1.05 C ATOM 422 C GLU A 26 -17.131 5.360 -7.355 1.00 0.95 C ATOM 423 O GLU A 26 -18.058 6.148 -7.535 1.00 1.12 O ATOM 424 CB GLU A 26 -15.448 5.564 -9.188 1.00 1.29 C ATOM 425 CG GLU A 26 -13.983 5.668 -9.579 1.00 1.83 C ATOM 426 CD GLU A 26 -13.789 6.206 -10.982 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.785 6.276 -11.733 1.00 2.53 O ATOM 428 OE2 GLU A 26 -12.642 6.557 -11.331 1.00 2.77 O ATOM 0 H GLU A 26 -14.664 4.009 -7.175 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.573 6.810 -7.428 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.827 4.586 -9.486 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.018 6.309 -9.743 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.467 6.317 -8.871 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.521 4.684 -9.505 1.00 1.83 H new ATOM 435 N TYR A 27 -17.316 4.133 -6.877 1.00 0.85 N ATOM 436 CA TYR A 27 -18.654 3.656 -6.538 1.00 0.84 C ATOM 437 C TYR A 27 -18.730 3.121 -5.110 1.00 0.86 C ATOM 438 O TYR A 27 -19.364 3.728 -4.246 1.00 1.37 O ATOM 439 CB TYR A 27 -19.093 2.572 -7.525 1.00 0.86 C ATOM 440 CG TYR A 27 -20.593 2.477 -7.684 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.269 3.297 -8.579 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.334 1.567 -6.942 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.639 3.215 -8.730 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.706 1.477 -7.087 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.354 2.301 -7.969 1.00 1.19 C ATOM 446 OH TYR A 27 -24.718 2.217 -8.130 1.00 1.35 O ATOM 0 H TYR A 27 -16.568 3.458 -6.717 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.329 4.509 -6.606 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.644 2.773 -8.498 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.709 1.609 -7.190 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.713 4.012 -9.167 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.830 0.919 -6.240 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.149 3.856 -9.434 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.266 0.759 -6.506 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.077 1.531 -7.529 1.00 1.35 H new ATOM 456 N THR A 28 -18.093 1.979 -4.867 1.00 0.65 N ATOM 457 CA THR A 28 -18.106 1.364 -3.543 1.00 0.61 C ATOM 458 C THR A 28 -19.531 1.234 -3.024 1.00 0.66 C ATOM 459 O THR A 28 -19.857 1.727 -1.944 1.00 0.81 O ATOM 460 CB THR A 28 -17.267 2.173 -2.554 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.725 3.512 -2.478 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.796 2.211 -2.903 1.00 0.79 C ATOM 0 H THR A 28 -17.562 1.462 -5.568 1.00 0.65 H new ATOM 0 HA THR A 28 -17.671 0.369 -3.636 1.00 0.61 H new ATOM 0 HB THR A 28 -17.384 1.662 -1.598 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.673 3.548 -2.726 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.261 2.802 -2.160 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.399 1.196 -2.915 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.667 2.663 -3.887 1.00 0.79 H new ATOM 470 N GLY A 29 -20.377 0.562 -3.804 1.00 0.75 N ATOM 471 CA GLY A 29 -21.767 0.367 -3.417 1.00 0.80 C ATOM 472 C GLY A 29 -22.387 1.610 -2.794 1.00 0.85 C ATOM 473 O GLY A 29 -22.891 2.485 -3.498 1.00 1.01 O ATOM 0 H GLY A 29 -20.123 0.147 -4.701 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.346 0.079 -4.294 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.829 -0.459 -2.708 1.00 0.80 H new ATOM 477 N GLY A 30 -22.334 1.683 -1.470 1.00 0.83 N ATOM 478 CA GLY A 30 -22.873 2.821 -0.748 1.00 0.89 C ATOM 479 C GLY A 30 -22.097 3.037 0.530 1.00 0.85 C ATOM 480 O GLY A 30 -22.645 3.452 1.551 1.00 0.98 O ATOM 0 H GLY A 30 -21.921 0.964 -0.876 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.821 3.715 -1.370 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.925 2.652 -0.520 1.00 0.89 H new ATOM 484 N PHE A 31 -20.811 2.723 0.458 1.00 0.73 N ATOM 485 CA PHE A 31 -19.907 2.835 1.592 1.00 0.69 C ATOM 486 C PHE A 31 -18.837 3.891 1.336 1.00 0.67 C ATOM 487 O PHE A 31 -18.807 4.513 0.275 1.00 0.74 O ATOM 488 CB PHE A 31 -19.233 1.481 1.854 1.00 0.63 C ATOM 489 CG PHE A 31 -19.870 0.320 1.130 1.00 0.67 C ATOM 490 CD1 PHE A 31 -21.065 -0.216 1.575 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.274 -0.224 0.001 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.657 -1.275 0.912 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.861 -1.283 -0.665 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.052 -1.809 -0.209 1.00 0.83 C ATOM 0 H PHE A 31 -20.364 2.382 -0.393 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.489 3.134 2.463 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.185 1.547 1.560 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.251 1.280 2.925 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.542 0.198 2.451 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.342 0.184 -0.361 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.590 -1.684 1.270 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.388 -1.699 -1.542 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.511 -2.638 -0.728 1.00 0.83 H new ATOM 504 N LYS A 32 -17.958 4.085 2.315 1.00 0.68 N ATOM 505 CA LYS A 32 -16.883 5.065 2.193 1.00 0.72 C ATOM 506 C LYS A 32 -15.522 4.487 2.606 1.00 0.66 C ATOM 507 O LYS A 32 -14.504 5.171 2.508 1.00 0.74 O ATOM 508 CB LYS A 32 -17.197 6.297 3.045 1.00 0.86 C ATOM 509 CG LYS A 32 -16.438 7.543 2.616 1.00 1.38 C ATOM 510 CD LYS A 32 -15.091 7.648 3.314 1.00 1.38 C ATOM 511 CE LYS A 32 -14.905 9.007 3.969 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.925 10.111 2.970 1.00 2.26 N ATOM 0 H LYS A 32 -17.969 3.578 3.200 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.819 5.346 1.142 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.267 6.499 2.997 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -16.961 6.078 4.086 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.288 7.524 1.536 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.034 8.428 2.840 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.009 6.866 4.068 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -14.292 7.479 2.592 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.694 9.167 4.703 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -13.959 9.023 4.510 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.596 10.990 3.418 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.298 9.872 2.175 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.895 10.243 2.618 1.00 2.26 H new ATOM 526 N ILE A 33 -15.502 3.234 3.070 1.00 0.67 N ATOM 527 CA ILE A 33 -14.258 2.596 3.496 1.00 0.66 C ATOM 528 C ILE A 33 -13.633 3.361 4.659 1.00 0.80 C ATOM 529 O ILE A 33 -13.625 4.591 4.675 1.00 1.71 O ATOM 530 CB ILE A 33 -13.239 2.494 2.340 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.815 1.652 1.202 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.927 1.894 2.829 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.880 2.386 -0.117 1.00 0.91 C ATOM 0 H ILE A 33 -16.330 2.646 3.159 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.511 1.586 3.818 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.038 3.499 1.968 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.207 0.755 1.080 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.817 1.323 1.475 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.224 1.831 1.999 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.508 2.525 3.613 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.109 0.895 3.226 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -14.299 1.729 -0.879 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.512 3.268 -0.012 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.877 2.692 -0.413 1.00 0.91 H new ATOM 545 N THR A 34 -13.116 2.629 5.638 1.00 0.72 N ATOM 546 CA THR A 34 -12.501 3.253 6.801 1.00 0.73 C ATOM 547 C THR A 34 -11.253 2.500 7.245 1.00 0.59 C ATOM 548 O THR A 34 -10.862 2.571 8.410 1.00 0.76 O ATOM 549 CB THR A 34 -13.507 3.317 7.954 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.511 2.103 8.684 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.927 3.584 7.496 1.00 1.15 C ATOM 0 H THR A 34 -13.110 1.609 5.650 1.00 0.72 H new ATOM 0 HA THR A 34 -12.203 4.263 6.520 1.00 0.73 H new ATOM 0 HB THR A 34 -13.181 4.150 8.576 1.00 0.99 H new ATOM 0 HG1 THR A 34 -14.159 2.164 9.417 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.588 3.617 8.362 1.00 1.15 H new ATOM 0 HG22 THR A 34 -14.967 4.539 6.972 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.248 2.788 6.824 1.00 1.15 H new ATOM 559 N SER A 35 -10.626 1.780 6.318 1.00 0.49 N ATOM 560 CA SER A 35 -9.419 1.022 6.638 1.00 0.47 C ATOM 561 C SER A 35 -8.698 0.553 5.376 1.00 0.45 C ATOM 562 O SER A 35 -9.112 -0.415 4.738 1.00 0.72 O ATOM 563 CB SER A 35 -9.770 -0.187 7.509 1.00 0.64 C ATOM 564 OG SER A 35 -10.441 0.207 8.693 1.00 1.58 O ATOM 0 H SER A 35 -10.930 1.705 5.347 1.00 0.49 H new ATOM 0 HA SER A 35 -8.749 1.685 7.185 1.00 0.47 H new ATOM 0 HB2 SER A 35 -10.399 -0.874 6.944 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.860 -0.728 7.768 1.00 0.64 H new ATOM 0 HG SER A 35 -10.447 1.185 8.755 1.00 1.58 H new ATOM 570 N TYR A 36 -7.615 1.242 5.026 1.00 0.27 N ATOM 571 CA TYR A 36 -6.832 0.890 3.847 1.00 0.28 C ATOM 572 C TYR A 36 -5.618 0.055 4.243 1.00 0.33 C ATOM 573 O TYR A 36 -4.734 0.531 4.952 1.00 0.68 O ATOM 574 CB TYR A 36 -6.382 2.154 3.112 1.00 0.29 C ATOM 575 CG TYR A 36 -7.527 3.001 2.600 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.522 2.452 1.801 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.610 4.351 2.914 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.568 3.224 1.331 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.652 5.130 2.449 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.629 4.562 1.658 1.00 0.60 C ATOM 581 OH TYR A 36 -10.669 5.335 1.192 1.00 0.76 O ATOM 0 H TYR A 36 -7.260 2.047 5.542 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.460 0.299 3.180 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.769 2.755 3.784 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.749 1.869 2.272 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.478 1.404 1.543 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.847 4.800 3.532 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.333 2.781 0.711 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.701 6.178 2.704 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.563 6.254 1.514 1.00 0.76 H new ATOM 591 N ILE A 37 -5.581 -1.193 3.787 1.00 0.24 N ATOM 592 CA ILE A 37 -4.473 -2.089 4.106 1.00 0.26 C ATOM 593 C ILE A 37 -3.539 -2.258 2.912 1.00 0.33 C ATOM 594 O ILE A 37 -3.919 -2.845 1.900 1.00 0.70 O ATOM 595 CB ILE A 37 -4.967 -3.489 4.542 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.307 -3.403 5.286 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.920 -4.164 5.416 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.453 -4.055 4.541 1.00 1.14 C ATOM 0 H ILE A 37 -6.303 -1.607 3.197 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.937 -1.626 4.934 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.122 -4.087 3.644 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.203 -3.876 6.262 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.549 -2.355 5.464 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.278 -5.149 5.717 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.992 -4.271 4.855 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.740 -3.556 6.303 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.369 -3.957 5.124 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.584 -3.567 3.575 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.233 -5.111 4.387 1.00 1.14 H new ATOM 610 N VAL A 38 -2.314 -1.751 3.032 1.00 0.36 N ATOM 611 CA VAL A 38 -1.346 -1.869 1.949 1.00 0.42 C ATOM 612 C VAL A 38 -0.345 -2.984 2.238 1.00 0.35 C ATOM 613 O VAL A 38 0.443 -2.904 3.181 1.00 0.48 O ATOM 614 CB VAL A 38 -0.623 -0.515 1.657 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.441 0.278 2.931 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.709 -0.698 0.925 1.00 0.51 C ATOM 0 H VAL A 38 -1.973 -1.260 3.859 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.897 -2.132 1.046 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.268 0.049 0.983 1.00 0.63 H new ATOM 0 HG11 VAL A 38 0.064 1.217 2.706 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.416 0.487 3.372 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.160 -0.298 3.635 1.00 0.46 H new ATOM 0 HG21 VAL A 38 1.165 0.277 0.750 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.378 -1.307 1.533 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.534 -1.194 -0.030 1.00 0.51 H new ATOM 626 N GLU A 39 -0.390 -4.024 1.409 1.00 0.30 N ATOM 627 CA GLU A 39 0.505 -5.161 1.556 1.00 0.33 C ATOM 628 C GLU A 39 1.875 -4.835 0.976 1.00 0.32 C ATOM 629 O GLU A 39 1.994 -4.024 0.057 1.00 0.43 O ATOM 630 CB GLU A 39 -0.085 -6.393 0.865 1.00 0.42 C ATOM 631 CG GLU A 39 -1.567 -6.590 1.142 1.00 0.51 C ATOM 632 CD GLU A 39 -2.065 -7.961 0.726 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.779 -8.376 -0.416 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.742 -8.619 1.544 1.00 1.67 O ATOM 0 H GLU A 39 -1.040 -4.100 0.627 1.00 0.30 H new ATOM 0 HA GLU A 39 0.620 -5.378 2.618 1.00 0.33 H new ATOM 0 HB2 GLU A 39 0.067 -6.305 -0.211 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.459 -7.279 1.192 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.755 -6.447 2.206 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.136 -5.826 0.612 1.00 0.51 H new ATOM 641 N LYS A 40 2.907 -5.464 1.523 1.00 0.28 N ATOM 642 CA LYS A 40 4.269 -5.234 1.065 1.00 0.31 C ATOM 643 C LYS A 40 4.913 -6.527 0.584 1.00 0.29 C ATOM 644 O LYS A 40 4.734 -7.582 1.188 1.00 0.35 O ATOM 645 CB LYS A 40 5.102 -4.628 2.193 1.00 0.43 C ATOM 646 CG LYS A 40 4.875 -5.299 3.540 1.00 0.92 C ATOM 647 CD LYS A 40 6.068 -5.109 4.463 1.00 1.14 C ATOM 648 CE LYS A 40 6.687 -6.440 4.859 1.00 1.65 C ATOM 649 NZ LYS A 40 8.100 -6.284 5.303 1.00 1.97 N ATOM 0 H LYS A 40 2.826 -6.138 2.285 1.00 0.28 H new ATOM 0 HA LYS A 40 4.232 -4.539 0.226 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.158 -4.699 1.933 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.866 -3.567 2.279 1.00 0.43 H new ATOM 0 HG2 LYS A 40 3.982 -4.886 4.008 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.694 -6.364 3.392 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.817 -4.492 3.968 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.754 -4.572 5.358 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.101 -6.888 5.662 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.646 -7.126 4.013 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 8.486 -7.214 5.564 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.665 -5.880 4.529 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 8.137 -5.650 6.126 1.00 1.97 H new ATOM 663 N ARG A 41 5.669 -6.434 -0.504 1.00 0.36 N ATOM 664 CA ARG A 41 6.348 -7.595 -1.066 1.00 0.40 C ATOM 665 C ARG A 41 7.851 -7.355 -1.121 1.00 0.41 C ATOM 666 O ARG A 41 8.322 -6.459 -1.822 1.00 0.43 O ATOM 667 CB ARG A 41 5.812 -7.906 -2.465 1.00 0.46 C ATOM 668 CG ARG A 41 6.305 -9.231 -3.027 1.00 0.58 C ATOM 669 CD ARG A 41 5.207 -9.958 -3.787 1.00 0.88 C ATOM 670 NE ARG A 41 4.957 -9.364 -5.097 1.00 0.95 N ATOM 671 CZ ARG A 41 4.357 -10.004 -6.096 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.948 -11.255 -5.933 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.166 -9.394 -7.258 1.00 1.44 N ATOM 0 H ARG A 41 5.827 -5.565 -1.015 1.00 0.36 H new ATOM 0 HA ARG A 41 6.153 -8.452 -0.421 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.723 -7.918 -2.433 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.102 -7.103 -3.143 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.152 -9.053 -3.690 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.664 -9.861 -2.213 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.485 -11.004 -3.912 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.288 -9.940 -3.201 1.00 0.88 H new ATOM 0 HE ARG A 41 5.260 -8.403 -5.255 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.094 -11.727 -5.041 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.488 -11.745 -6.700 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.480 -8.432 -7.387 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.705 -9.887 -8.023 1.00 1.44 H new ATOM 687 N ASP A 42 8.598 -8.161 -0.372 1.00 0.50 N ATOM 688 CA ASP A 42 10.050 -8.038 -0.331 1.00 0.57 C ATOM 689 C ASP A 42 10.679 -8.627 -1.589 1.00 0.62 C ATOM 690 O ASP A 42 10.791 -9.846 -1.722 1.00 0.91 O ATOM 691 CB ASP A 42 10.610 -8.746 0.903 1.00 0.71 C ATOM 692 CG ASP A 42 9.547 -9.524 1.655 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.664 -10.113 0.996 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.595 -9.542 2.904 1.00 1.49 O ATOM 0 H ASP A 42 8.221 -8.906 0.214 1.00 0.50 H new ATOM 0 HA ASP A 42 10.297 -6.978 -0.279 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.406 -9.425 0.599 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.057 -8.009 1.570 1.00 0.71 H new ATOM 699 N LEU A 43 11.088 -7.761 -2.509 1.00 0.63 N ATOM 700 CA LEU A 43 11.706 -8.212 -3.751 1.00 0.68 C ATOM 701 C LEU A 43 13.218 -8.359 -3.581 1.00 0.81 C ATOM 702 O LEU A 43 13.812 -7.735 -2.700 1.00 0.90 O ATOM 703 CB LEU A 43 11.407 -7.230 -4.890 1.00 0.62 C ATOM 704 CG LEU A 43 9.939 -7.130 -5.328 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.241 -8.480 -5.235 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.206 -6.093 -4.494 1.00 0.80 C ATOM 0 H LEU A 43 11.004 -6.748 -2.420 1.00 0.63 H new ATOM 0 HA LEU A 43 11.284 -9.185 -4.002 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.742 -6.239 -4.585 1.00 0.62 H new ATOM 0 HB3 LEU A 43 12.004 -7.516 -5.756 1.00 0.62 H new ATOM 0 HG LEU A 43 9.921 -6.816 -6.372 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.203 -8.376 -5.552 1.00 0.70 H new ATOM 0 HD12 LEU A 43 9.747 -9.197 -5.881 1.00 0.70 H new ATOM 0 HD13 LEU A 43 9.272 -8.835 -4.205 1.00 0.70 H new ATOM 0 HD21 LEU A 43 8.167 -6.035 -4.817 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.244 -6.379 -3.443 1.00 0.80 H new ATOM 0 HD23 LEU A 43 9.681 -5.121 -4.623 1.00 0.80 H new ATOM 718 N PRO A 44 13.869 -9.188 -4.422 1.00 0.92 N ATOM 719 CA PRO A 44 13.223 -9.950 -5.482 1.00 0.99 C ATOM 720 C PRO A 44 12.792 -11.340 -5.019 1.00 1.15 C ATOM 721 O PRO A 44 12.860 -12.305 -5.782 1.00 1.43 O ATOM 722 CB PRO A 44 14.321 -10.056 -6.545 1.00 1.15 C ATOM 723 CG PRO A 44 15.620 -9.776 -5.842 1.00 1.25 C ATOM 724 CD PRO A 44 15.307 -9.446 -4.403 1.00 1.08 C ATOM 0 HA PRO A 44 12.307 -9.474 -5.833 1.00 0.99 H new ATOM 0 HB2 PRO A 44 14.330 -11.048 -6.997 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.153 -9.341 -7.350 1.00 1.15 H new ATOM 0 HG2 PRO A 44 16.280 -10.642 -5.900 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.141 -8.946 -6.319 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.559 -10.271 -3.737 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.867 -8.577 -4.059 1.00 1.08 H new ATOM 732 N ASN A 45 12.348 -11.438 -3.769 1.00 1.14 N ATOM 733 CA ASN A 45 11.909 -12.713 -3.214 1.00 1.33 C ATOM 734 C ASN A 45 11.125 -12.510 -1.919 1.00 1.43 C ATOM 735 O ASN A 45 11.677 -12.613 -0.824 1.00 2.42 O ATOM 736 CB ASN A 45 13.112 -13.624 -2.956 1.00 1.66 C ATOM 737 CG ASN A 45 14.308 -12.864 -2.417 1.00 1.93 C ATOM 738 OD1 ASN A 45 14.361 -12.524 -1.234 1.00 2.66 O ATOM 739 ND2 ASN A 45 15.277 -12.594 -3.283 1.00 1.89 N ATOM 0 H ASN A 45 12.283 -10.651 -3.123 1.00 1.14 H new ATOM 0 HA ASN A 45 11.251 -13.186 -3.943 1.00 1.33 H new ATOM 0 HB2 ASN A 45 12.830 -14.402 -2.247 1.00 1.66 H new ATOM 0 HB3 ASN A 45 13.391 -14.124 -3.883 1.00 1.66 H new ATOM 0 HD21 ASN A 45 16.107 -12.086 -2.978 1.00 1.89 H new ATOM 0 HD22 ASN A 45 15.192 -12.895 -4.254 1.00 1.89 H new ATOM 746 N GLY A 46 9.833 -12.225 -2.056 1.00 0.90 N ATOM 747 CA GLY A 46 8.988 -12.016 -0.894 1.00 1.12 C ATOM 748 C GLY A 46 7.527 -12.287 -1.192 1.00 0.76 C ATOM 749 O GLY A 46 7.199 -12.897 -2.211 1.00 0.96 O ATOM 0 H GLY A 46 9.356 -12.135 -2.953 1.00 0.90 H new ATOM 0 HA2 GLY A 46 9.319 -12.667 -0.085 1.00 1.12 H new ATOM 0 HA3 GLY A 46 9.101 -10.990 -0.544 1.00 1.12 H new ATOM 753 N ARG A 47 6.645 -11.833 -0.306 1.00 0.80 N ATOM 754 CA ARG A 47 5.211 -12.033 -0.488 1.00 0.76 C ATOM 755 C ARG A 47 4.416 -10.839 0.028 1.00 0.85 C ATOM 756 O ARG A 47 4.969 -9.925 0.635 1.00 1.71 O ATOM 757 CB ARG A 47 4.747 -13.307 0.218 1.00 0.99 C ATOM 758 CG ARG A 47 5.499 -13.603 1.502 1.00 1.31 C ATOM 759 CD ARG A 47 5.390 -12.456 2.494 1.00 1.11 C ATOM 760 NE ARG A 47 6.031 -12.770 3.769 1.00 1.41 N ATOM 761 CZ ARG A 47 5.551 -13.656 4.636 1.00 1.71 C ATOM 762 NH1 ARG A 47 4.431 -14.312 4.367 1.00 2.41 N ATOM 763 NH2 ARG A 47 6.191 -13.886 5.775 1.00 2.03 N ATOM 0 H ARG A 47 6.897 -11.326 0.542 1.00 0.80 H new ATOM 0 HA ARG A 47 5.029 -12.133 -1.558 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.684 -13.221 0.442 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.862 -14.151 -0.462 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.104 -14.513 1.953 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.549 -13.789 1.275 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.849 -11.564 2.068 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.339 -12.223 2.665 1.00 1.11 H new ATOM 0 HE ARG A 47 6.895 -12.282 4.007 1.00 1.41 H new ATOM 0 HH11 ARG A 47 3.935 -14.138 3.493 1.00 2.41 H new ATOM 0 HH12 ARG A 47 4.065 -14.991 5.034 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.053 -13.383 5.986 1.00 2.03 H new ATOM 0 HH22 ARG A 47 5.821 -14.566 6.439 1.00 2.03 H new ATOM 777 N TRP A 48 3.116 -10.861 -0.233 1.00 0.50 N ATOM 778 CA TRP A 48 2.222 -9.796 0.175 1.00 0.43 C ATOM 779 C TRP A 48 1.848 -9.891 1.648 1.00 0.45 C ATOM 780 O TRP A 48 1.237 -10.866 2.084 1.00 0.65 O ATOM 781 CB TRP A 48 0.967 -9.815 -0.694 1.00 0.47 C ATOM 782 CG TRP A 48 1.284 -9.637 -2.142 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.045 -10.515 -3.157 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.921 -8.504 -2.730 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.494 -9.990 -4.346 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.036 -8.754 -4.107 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.403 -7.300 -2.219 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.617 -7.838 -4.980 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.977 -6.392 -3.082 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.081 -6.664 -4.449 1.00 0.38 C ATOM 0 H TRP A 48 2.655 -11.620 -0.734 1.00 0.50 H new ATOM 0 HA TRP A 48 2.748 -8.851 0.039 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.442 -10.760 -0.552 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.291 -9.023 -0.371 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.573 -11.480 -3.044 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.434 -10.446 -5.257 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.328 -7.082 -1.164 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.699 -8.046 -6.037 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.352 -5.456 -2.696 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.537 -5.933 -5.100 1.00 0.38 H new ATOM 801 N LEU A 49 2.213 -8.861 2.404 1.00 0.38 N ATOM 802 CA LEU A 49 1.917 -8.810 3.828 1.00 0.42 C ATOM 803 C LEU A 49 1.679 -7.371 4.277 1.00 0.36 C ATOM 804 O LEU A 49 2.501 -6.487 4.032 1.00 0.39 O ATOM 805 CB LEU A 49 3.060 -9.433 4.630 1.00 0.52 C ATOM 806 CG LEU A 49 2.688 -10.697 5.408 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.596 -10.396 6.423 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.244 -11.797 4.456 1.00 0.84 C ATOM 0 H LEU A 49 2.717 -8.047 2.051 1.00 0.38 H new ATOM 0 HA LEU A 49 1.008 -9.382 4.011 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.876 -9.671 3.947 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.439 -8.690 5.332 1.00 0.52 H new ATOM 0 HG LEU A 49 3.571 -11.043 5.946 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.344 -11.306 6.967 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.949 -9.640 7.124 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.711 -10.026 5.906 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.983 -12.688 5.026 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.375 -11.460 3.891 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.056 -12.032 3.767 1.00 0.84 H new ATOM 820 N LYS A 50 0.545 -7.143 4.931 1.00 0.40 N ATOM 821 CA LYS A 50 0.183 -5.813 5.413 1.00 0.40 C ATOM 822 C LYS A 50 1.353 -5.133 6.120 1.00 0.47 C ATOM 823 O LYS A 50 1.626 -5.403 7.290 1.00 0.85 O ATOM 824 CB LYS A 50 -1.012 -5.906 6.365 1.00 0.59 C ATOM 825 CG LYS A 50 -0.835 -6.944 7.461 1.00 0.72 C ATOM 826 CD LYS A 50 -2.155 -7.602 7.823 1.00 1.03 C ATOM 827 CE LYS A 50 -3.069 -6.649 8.575 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.650 -7.282 9.791 1.00 1.30 N ATOM 0 H LYS A 50 -0.143 -7.866 5.141 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.085 -5.209 4.546 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.178 -4.931 6.823 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.907 -6.145 5.790 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -0.126 -7.704 7.132 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.408 -6.471 8.346 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -2.653 -7.944 6.915 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -1.966 -8.484 8.435 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.509 -5.759 8.861 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.873 -6.322 7.916 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.267 -6.600 10.276 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.205 -8.117 9.516 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -2.884 -7.572 10.432 1.00 1.30 H new ATOM 842 N ALA A 51 2.038 -4.243 5.405 1.00 0.45 N ATOM 843 CA ALA A 51 3.171 -3.519 5.970 1.00 0.63 C ATOM 844 C ALA A 51 2.719 -2.661 7.141 1.00 0.55 C ATOM 845 O ALA A 51 3.418 -2.533 8.146 1.00 0.72 O ATOM 846 CB ALA A 51 3.827 -2.647 4.908 1.00 0.86 C ATOM 0 H ALA A 51 1.828 -4.007 4.435 1.00 0.45 H new ATOM 0 HA ALA A 51 3.901 -4.246 6.327 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.671 -2.113 5.346 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.180 -3.274 4.089 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.101 -1.928 4.528 1.00 0.86 H new ATOM 852 N ASN A 52 1.539 -2.076 6.993 1.00 0.42 N ATOM 853 CA ASN A 52 0.967 -1.221 8.026 1.00 0.43 C ATOM 854 C ASN A 52 0.537 -2.046 9.245 1.00 0.59 C ATOM 855 O ASN A 52 1.129 -3.085 9.536 1.00 1.60 O ATOM 856 CB ASN A 52 -0.219 -0.434 7.456 1.00 0.38 C ATOM 857 CG ASN A 52 -1.433 -1.311 7.214 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.391 -2.242 6.410 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.526 -1.017 7.913 1.00 0.62 N ATOM 0 H ASN A 52 0.955 -2.178 6.163 1.00 0.42 H new ATOM 0 HA ASN A 52 1.730 -0.516 8.355 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.485 0.367 8.146 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.078 0.037 6.519 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.373 -1.572 7.793 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.517 -0.236 8.569 1.00 0.62 H new ATOM 866 N PHE A 53 -0.490 -1.578 9.954 1.00 0.81 N ATOM 867 CA PHE A 53 -0.991 -2.270 11.134 1.00 0.82 C ATOM 868 C PHE A 53 -2.039 -1.419 11.847 1.00 0.84 C ATOM 869 O PHE A 53 -2.951 -1.946 12.483 1.00 1.20 O ATOM 870 CB PHE A 53 0.157 -2.597 12.092 1.00 0.96 C ATOM 871 CG PHE A 53 0.242 -4.054 12.447 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.909 -4.801 12.637 1.00 1.32 C ATOM 873 CD2 PHE A 53 1.472 -4.676 12.590 1.00 1.68 C ATOM 874 CE1 PHE A 53 -0.836 -6.142 12.963 1.00 1.66 C ATOM 875 CE2 PHE A 53 1.552 -6.017 12.915 1.00 2.08 C ATOM 876 CZ PHE A 53 0.396 -6.751 13.102 1.00 1.96 C ATOM 0 H PHE A 53 -0.991 -0.719 9.728 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.455 -3.202 10.812 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.098 -2.286 11.639 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.035 -2.015 13.005 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.875 -4.330 12.529 1.00 1.32 H new ATOM 0 HD2 PHE A 53 2.378 -4.107 12.446 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -1.741 -6.713 13.109 1.00 1.66 H new ATOM 0 HE2 PHE A 53 2.517 -6.491 13.023 1.00 2.08 H new ATOM 0 HZ PHE A 53 0.456 -7.799 13.356 1.00 1.96 H new ATOM 886 N SER A 54 -1.904 -0.097 11.735 1.00 0.79 N ATOM 887 CA SER A 54 -2.842 0.821 12.367 1.00 0.89 C ATOM 888 C SER A 54 -4.099 0.976 11.516 1.00 0.95 C ATOM 889 O SER A 54 -4.395 0.129 10.673 1.00 1.89 O ATOM 890 CB SER A 54 -2.183 2.183 12.588 1.00 1.00 C ATOM 891 OG SER A 54 -2.379 3.034 11.472 1.00 1.71 O ATOM 0 H SER A 54 -1.155 0.358 11.213 1.00 0.79 H new ATOM 0 HA SER A 54 -3.129 0.408 13.334 1.00 0.89 H new ATOM 0 HB2 SER A 54 -2.597 2.650 13.482 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.116 2.049 12.764 1.00 1.00 H new ATOM 0 HG SER A 54 -1.949 3.898 11.640 1.00 1.71 H new ATOM 897 N ASN A 55 -4.835 2.060 11.738 1.00 0.75 N ATOM 898 CA ASN A 55 -6.059 2.313 10.985 1.00 0.69 C ATOM 899 C ASN A 55 -5.832 3.370 9.910 1.00 0.66 C ATOM 900 O ASN A 55 -5.865 4.570 10.186 1.00 1.05 O ATOM 901 CB ASN A 55 -7.179 2.760 11.926 1.00 0.84 C ATOM 902 CG ASN A 55 -8.528 2.196 11.527 1.00 1.11 C ATOM 903 OD1 ASN A 55 -9.160 1.468 12.292 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.976 2.530 10.323 1.00 0.83 N ATOM 0 H ASN A 55 -4.607 2.774 12.430 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.352 1.383 10.497 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.943 2.445 12.943 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -7.231 3.849 11.933 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.878 2.180 9.999 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.418 3.137 9.722 1.00 0.83 H new ATOM 911 N ILE A 56 -5.602 2.916 8.682 1.00 0.40 N ATOM 912 CA ILE A 56 -5.371 3.819 7.563 1.00 0.33 C ATOM 913 C ILE A 56 -6.687 4.352 7.006 1.00 0.31 C ATOM 914 O ILE A 56 -7.262 3.775 6.082 1.00 0.53 O ATOM 915 CB ILE A 56 -4.593 3.118 6.432 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.348 2.425 6.993 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.210 4.117 5.352 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.512 1.729 5.940 1.00 0.69 C ATOM 0 H ILE A 56 -5.571 1.926 8.438 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.778 4.651 7.942 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.236 2.361 5.984 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.731 3.164 7.504 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.656 1.694 7.741 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.661 3.605 4.561 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -5.112 4.566 4.936 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.582 4.896 5.784 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.648 1.261 6.412 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -3.112 0.966 5.445 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.173 2.458 5.204 1.00 0.69 H new ATOM 930 N LEU A 57 -7.162 5.457 7.576 1.00 0.44 N ATOM 931 CA LEU A 57 -8.415 6.068 7.137 1.00 0.45 C ATOM 932 C LEU A 57 -8.243 6.766 5.793 1.00 0.42 C ATOM 933 O LEU A 57 -8.987 6.505 4.847 1.00 0.60 O ATOM 934 CB LEU A 57 -8.913 7.070 8.180 1.00 0.48 C ATOM 935 CG LEU A 57 -10.218 7.786 7.820 1.00 0.85 C ATOM 936 CD1 LEU A 57 -11.237 6.800 7.269 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.779 8.513 9.031 1.00 1.60 C ATOM 0 H LEU A 57 -6.699 5.947 8.342 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.152 5.273 7.022 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -9.052 6.547 9.126 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.138 7.819 8.341 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.002 8.523 7.046 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -12.157 7.329 7.019 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.837 6.326 6.373 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -11.449 6.038 8.019 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.706 9.016 8.756 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.978 7.795 9.827 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -10.056 9.250 9.380 1.00 1.60 H new ATOM 949 N GLU A 58 -7.261 7.657 5.714 1.00 0.39 N ATOM 950 CA GLU A 58 -6.993 8.391 4.488 1.00 0.43 C ATOM 951 C GLU A 58 -6.164 7.548 3.531 1.00 0.51 C ATOM 952 O GLU A 58 -5.580 6.538 3.923 1.00 1.09 O ATOM 953 CB GLU A 58 -6.266 9.702 4.799 1.00 0.44 C ATOM 954 CG GLU A 58 -4.922 9.507 5.482 1.00 0.44 C ATOM 955 CD GLU A 58 -4.605 10.611 6.471 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.548 11.122 7.112 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.416 10.962 6.607 1.00 1.54 O ATOM 0 H GLU A 58 -6.637 7.887 6.488 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.946 8.622 4.012 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.115 10.253 3.871 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.901 10.318 5.436 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.918 8.548 6.000 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.137 9.465 4.727 1.00 0.44 H new ATOM 964 N ASN A 59 -6.115 7.967 2.275 1.00 0.31 N ATOM 965 CA ASN A 59 -5.355 7.246 1.263 1.00 0.28 C ATOM 966 C ASN A 59 -3.865 7.593 1.322 1.00 0.28 C ATOM 967 O ASN A 59 -3.085 7.133 0.490 1.00 0.49 O ATOM 968 CB ASN A 59 -5.904 7.536 -0.136 1.00 0.32 C ATOM 969 CG ASN A 59 -7.413 7.695 -0.153 1.00 0.86 C ATOM 970 OD1 ASN A 59 -8.094 7.366 0.819 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.944 8.202 -1.260 1.00 0.91 N ATOM 0 H ASN A 59 -6.591 8.801 1.932 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.463 6.182 1.474 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.443 8.445 -0.521 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.621 6.726 -0.808 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.953 8.332 -1.328 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.342 8.461 -2.042 1.00 0.91 H new ATOM 978 N GLU A 60 -3.470 8.397 2.310 1.00 0.29 N ATOM 979 CA GLU A 60 -2.074 8.787 2.468 1.00 0.29 C ATOM 980 C GLU A 60 -1.459 8.066 3.659 1.00 0.27 C ATOM 981 O GLU A 60 -1.600 8.502 4.801 1.00 0.35 O ATOM 982 CB GLU A 60 -1.957 10.299 2.663 1.00 0.34 C ATOM 983 CG GLU A 60 -0.523 10.781 2.798 1.00 0.49 C ATOM 984 CD GLU A 60 0.197 10.848 1.466 1.00 1.26 C ATOM 985 OE1 GLU A 60 0.454 9.777 0.875 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.504 11.970 1.013 1.00 2.05 O ATOM 0 H GLU A 60 -4.099 8.789 3.011 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.535 8.507 1.563 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.424 10.804 1.818 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.515 10.587 3.554 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.517 11.768 3.260 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.020 10.113 3.467 1.00 0.49 H new ATOM 993 N PHE A 61 -0.781 6.958 3.390 1.00 0.24 N ATOM 994 CA PHE A 61 -0.154 6.179 4.449 1.00 0.24 C ATOM 995 C PHE A 61 1.336 5.988 4.188 1.00 0.24 C ATOM 996 O PHE A 61 1.818 6.202 3.075 1.00 0.25 O ATOM 997 CB PHE A 61 -0.846 4.819 4.579 1.00 0.28 C ATOM 998 CG PHE A 61 -0.158 3.882 5.531 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.448 3.918 6.885 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.772 2.963 5.072 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.177 3.057 7.764 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.402 2.098 5.949 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.124 2.152 7.289 1.00 0.48 C ATOM 0 H PHE A 61 -0.652 6.580 2.452 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.263 6.729 5.384 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.872 4.973 4.912 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.897 4.351 3.596 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -1.172 4.628 7.257 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.007 2.922 4.019 1.00 0.37 H new ATOM 0 HE1 PHE A 61 -0.067 3.085 8.816 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.115 1.378 5.576 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.637 1.495 7.975 1.00 0.48 H new ATOM 1013 N THR A 62 2.059 5.582 5.226 1.00 0.25 N ATOM 1014 CA THR A 62 3.490 5.355 5.122 1.00 0.27 C ATOM 1015 C THR A 62 3.875 4.015 5.735 1.00 0.29 C ATOM 1016 O THR A 62 3.753 3.814 6.944 1.00 0.35 O ATOM 1017 CB THR A 62 4.262 6.482 5.808 1.00 0.33 C ATOM 1018 OG1 THR A 62 3.951 7.734 5.224 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.765 6.303 5.740 1.00 0.37 C ATOM 0 H THR A 62 1.672 5.403 6.153 1.00 0.25 H new ATOM 0 HA THR A 62 3.751 5.339 4.064 1.00 0.27 H new ATOM 0 HB THR A 62 3.954 6.449 6.853 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.744 8.089 4.770 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.254 7.136 6.245 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.043 5.369 6.229 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.081 6.275 4.697 1.00 0.37 H new ATOM 1027 N VAL A 63 4.342 3.099 4.894 1.00 0.31 N ATOM 1028 CA VAL A 63 4.746 1.778 5.351 1.00 0.36 C ATOM 1029 C VAL A 63 6.100 1.830 6.048 1.00 0.38 C ATOM 1030 O VAL A 63 7.045 2.440 5.550 1.00 0.50 O ATOM 1031 CB VAL A 63 4.816 0.778 4.183 1.00 0.44 C ATOM 1032 CG1 VAL A 63 3.471 0.689 3.478 1.00 0.58 C ATOM 1033 CG2 VAL A 63 5.912 1.167 3.205 1.00 1.08 C ATOM 0 H VAL A 63 4.450 3.249 3.891 1.00 0.31 H new ATOM 0 HA VAL A 63 3.990 1.441 6.060 1.00 0.36 H new ATOM 0 HB VAL A 63 5.058 -0.205 4.587 1.00 0.44 H new ATOM 0 HG11 VAL A 63 3.538 -0.022 2.655 1.00 0.58 H new ATOM 0 HG12 VAL A 63 2.711 0.356 4.185 1.00 0.58 H new ATOM 0 HG13 VAL A 63 3.199 1.670 3.089 1.00 0.58 H new ATOM 0 HG21 VAL A 63 5.943 0.446 2.388 1.00 1.08 H new ATOM 0 HG22 VAL A 63 5.707 2.160 2.805 1.00 1.08 H new ATOM 0 HG23 VAL A 63 6.873 1.174 3.719 1.00 1.08 H new ATOM 1043 N SER A 64 6.182 1.189 7.207 1.00 0.49 N ATOM 1044 CA SER A 64 7.418 1.163 7.977 1.00 0.55 C ATOM 1045 C SER A 64 7.807 -0.265 8.334 1.00 0.63 C ATOM 1046 O SER A 64 6.978 -1.050 8.794 1.00 0.99 O ATOM 1047 CB SER A 64 7.263 1.990 9.253 1.00 0.63 C ATOM 1048 OG SER A 64 5.902 2.079 9.639 1.00 1.33 O ATOM 0 H SER A 64 5.408 0.681 7.634 1.00 0.49 H new ATOM 0 HA SER A 64 8.208 1.594 7.362 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.844 1.537 10.057 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.666 2.990 9.093 1.00 0.63 H new ATOM 0 HG SER A 64 5.829 2.611 10.459 1.00 1.33 H new ATOM 1054 N GLY A 65 9.075 -0.598 8.120 1.00 0.71 N ATOM 1055 CA GLY A 65 9.551 -1.931 8.427 1.00 0.78 C ATOM 1056 C GLY A 65 10.377 -2.542 7.309 1.00 0.72 C ATOM 1057 O GLY A 65 10.881 -3.657 7.447 1.00 0.90 O ATOM 0 H GLY A 65 9.781 0.032 7.739 1.00 0.71 H new ATOM 0 HA2 GLY A 65 10.151 -1.895 9.336 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.697 -2.576 8.634 1.00 0.78 H new ATOM 1061 N LEU A 66 10.521 -1.820 6.199 1.00 0.64 N ATOM 1062 CA LEU A 66 11.293 -2.317 5.070 1.00 0.65 C ATOM 1063 C LEU A 66 12.728 -2.625 5.476 1.00 0.59 C ATOM 1064 O LEU A 66 13.081 -2.561 6.654 1.00 0.65 O ATOM 1065 CB LEU A 66 11.278 -1.293 3.927 1.00 0.74 C ATOM 1066 CG LEU A 66 9.893 -0.849 3.414 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.763 -1.717 3.960 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.650 0.613 3.750 1.00 0.89 C ATOM 0 H LEU A 66 10.114 -0.895 6.061 1.00 0.64 H new ATOM 0 HA LEU A 66 10.831 -3.243 4.728 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.819 -0.406 4.257 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.834 -1.711 3.088 1.00 0.74 H new ATOM 0 HG LEU A 66 9.896 -0.974 2.331 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.810 -1.362 3.568 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.918 -2.752 3.654 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.752 -1.658 5.048 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.669 0.913 3.382 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.689 0.749 4.831 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.417 1.227 3.279 1.00 0.89 H new ATOM 1080 N THR A 67 13.548 -2.960 4.489 1.00 0.65 N ATOM 1081 CA THR A 67 14.947 -3.282 4.726 1.00 0.69 C ATOM 1082 C THR A 67 15.828 -2.688 3.632 1.00 0.72 C ATOM 1083 O THR A 67 15.453 -2.675 2.459 1.00 1.06 O ATOM 1084 CB THR A 67 15.139 -4.798 4.789 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.066 -5.412 5.481 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.424 -5.209 5.474 1.00 0.99 C ATOM 0 H THR A 67 13.265 -3.016 3.511 1.00 0.65 H new ATOM 0 HA THR A 67 15.241 -2.849 5.682 1.00 0.69 H new ATOM 0 HB THR A 67 15.178 -5.128 3.751 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.363 -5.657 4.844 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.499 -6.296 5.485 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.274 -4.792 4.933 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.426 -4.835 6.498 1.00 0.99 H new ATOM 1094 N GLU A 68 16.997 -2.198 4.021 1.00 0.66 N ATOM 1095 CA GLU A 68 17.928 -1.601 3.072 1.00 0.67 C ATOM 1096 C GLU A 68 18.431 -2.637 2.070 1.00 0.60 C ATOM 1097 O GLU A 68 18.594 -3.811 2.403 1.00 0.69 O ATOM 1098 CB GLU A 68 19.112 -0.980 3.814 1.00 0.76 C ATOM 1099 CG GLU A 68 19.020 0.529 3.960 1.00 0.96 C ATOM 1100 CD GLU A 68 20.148 1.103 4.794 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.836 0.319 5.481 1.00 1.89 O ATOM 1102 OE2 GLU A 68 20.344 2.336 4.759 1.00 1.91 O ATOM 0 H GLU A 68 17.324 -2.202 4.987 1.00 0.66 H new ATOM 0 HA GLU A 68 17.397 -0.822 2.524 1.00 0.67 H new ATOM 0 HB2 GLU A 68 19.183 -1.428 4.805 1.00 0.76 H new ATOM 0 HB3 GLU A 68 20.032 -1.229 3.285 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.034 0.988 2.971 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.066 0.789 4.418 1.00 0.96 H new ATOM 1109 N ASP A 69 18.676 -2.190 0.844 1.00 0.52 N ATOM 1110 CA ASP A 69 19.165 -3.068 -0.213 1.00 0.49 C ATOM 1111 C ASP A 69 18.144 -4.150 -0.553 1.00 0.44 C ATOM 1112 O ASP A 69 18.444 -5.342 -0.476 1.00 0.54 O ATOM 1113 CB ASP A 69 20.487 -3.714 0.208 1.00 0.59 C ATOM 1114 CG ASP A 69 21.687 -2.845 -0.114 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.900 -2.546 -1.308 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.414 -2.463 0.827 1.00 1.87 O ATOM 0 H ASP A 69 18.543 -1.220 0.556 1.00 0.52 H new ATOM 0 HA ASP A 69 19.326 -2.461 -1.104 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.465 -3.914 1.279 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.594 -4.676 -0.294 1.00 0.59 H new ATOM 1121 N ALA A 70 16.936 -3.736 -0.932 1.00 0.40 N ATOM 1122 CA ALA A 70 15.887 -4.686 -1.284 1.00 0.40 C ATOM 1123 C ALA A 70 14.676 -3.986 -1.891 1.00 0.35 C ATOM 1124 O ALA A 70 14.096 -3.091 -1.279 1.00 0.36 O ATOM 1125 CB ALA A 70 15.464 -5.481 -0.060 1.00 0.49 C ATOM 0 H ALA A 70 16.662 -2.756 -1.002 1.00 0.40 H new ATOM 0 HA ALA A 70 16.295 -5.364 -2.033 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.680 -6.186 -0.337 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.321 -6.027 0.333 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.086 -4.801 0.703 1.00 0.49 H new ATOM 1131 N ALA A 71 14.289 -4.404 -3.093 1.00 0.33 N ATOM 1132 CA ALA A 71 13.137 -3.814 -3.761 1.00 0.30 C ATOM 1133 C ALA A 71 11.861 -4.141 -2.995 1.00 0.27 C ATOM 1134 O ALA A 71 11.686 -5.264 -2.523 1.00 0.36 O ATOM 1135 CB ALA A 71 13.041 -4.304 -5.197 1.00 0.34 C ATOM 0 H ALA A 71 14.753 -5.144 -3.620 1.00 0.33 H new ATOM 0 HA ALA A 71 13.263 -2.731 -3.780 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.174 -3.852 -5.679 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.944 -4.023 -5.738 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.936 -5.389 -5.205 1.00 0.34 H new ATOM 1141 N TYR A 72 10.977 -3.158 -2.859 1.00 0.24 N ATOM 1142 CA TYR A 72 9.732 -3.366 -2.128 1.00 0.24 C ATOM 1143 C TYR A 72 8.519 -2.818 -2.875 1.00 0.21 C ATOM 1144 O TYR A 72 8.407 -1.613 -3.106 1.00 0.23 O ATOM 1145 CB TYR A 72 9.820 -2.702 -0.756 1.00 0.30 C ATOM 1146 CG TYR A 72 10.569 -3.519 0.270 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.934 -4.527 0.985 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.913 -3.281 0.525 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.615 -5.274 1.925 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.602 -4.024 1.465 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.949 -5.019 2.162 1.00 0.46 C ATOM 1152 OH TYR A 72 12.632 -5.761 3.097 1.00 0.56 O ATOM 0 H TYR A 72 11.097 -2.220 -3.240 1.00 0.24 H new ATOM 0 HA TYR A 72 9.598 -4.443 -2.022 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.308 -1.733 -0.862 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.811 -2.512 -0.389 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.889 -4.730 0.802 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.428 -2.503 -0.020 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.106 -6.054 2.472 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.647 -3.826 1.653 1.00 0.42 H new ATOM 0 HH TYR A 72 13.466 -6.095 2.704 1.00 0.56 H new ATOM 1162 N GLU A 73 7.601 -3.713 -3.229 1.00 0.21 N ATOM 1163 CA GLU A 73 6.376 -3.328 -3.923 1.00 0.21 C ATOM 1164 C GLU A 73 5.243 -3.231 -2.908 1.00 0.23 C ATOM 1165 O GLU A 73 5.205 -4.006 -1.952 1.00 0.32 O ATOM 1166 CB GLU A 73 6.028 -4.350 -5.005 1.00 0.25 C ATOM 1167 CG GLU A 73 5.937 -3.756 -6.402 1.00 0.65 C ATOM 1168 CD GLU A 73 6.140 -4.794 -7.488 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.618 -5.902 -7.167 1.00 1.32 O ATOM 1170 OE2 GLU A 73 5.819 -4.499 -8.659 1.00 1.50 O ATOM 0 H GLU A 73 7.683 -4.713 -3.046 1.00 0.21 H new ATOM 0 HA GLU A 73 6.523 -2.362 -4.405 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.781 -5.138 -5.003 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.076 -4.819 -4.757 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.962 -3.286 -6.531 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.686 -2.971 -6.509 1.00 0.65 H new ATOM 1177 N PHE A 74 4.327 -2.283 -3.087 1.00 0.22 N ATOM 1178 CA PHE A 74 3.230 -2.147 -2.114 1.00 0.28 C ATOM 1179 C PHE A 74 1.853 -1.948 -2.745 1.00 0.25 C ATOM 1180 O PHE A 74 1.581 -0.923 -3.366 1.00 0.30 O ATOM 1181 CB PHE A 74 3.486 -0.989 -1.131 1.00 0.39 C ATOM 1182 CG PHE A 74 4.878 -0.425 -1.162 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.867 -0.962 -0.358 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.195 0.634 -1.993 1.00 0.52 C ATOM 1185 CE1 PHE A 74 7.149 -0.453 -0.381 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.478 1.149 -2.022 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.445 0.630 -1.225 1.00 0.53 C ATOM 0 H PHE A 74 4.313 -1.619 -3.861 1.00 0.22 H new ATOM 0 HA PHE A 74 3.218 -3.101 -1.588 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.780 -0.187 -1.347 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.274 -1.337 -0.120 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.633 -1.789 0.295 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.432 1.063 -2.626 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.918 -0.883 0.244 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.712 1.970 -2.684 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.440 1.049 -1.239 1.00 0.53 H new ATOM 1197 N ARG A 75 0.974 -2.923 -2.532 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.398 -2.855 -3.028 1.00 0.34 C ATOM 1199 C ARG A 75 -1.308 -2.565 -1.850 1.00 0.31 C ATOM 1200 O ARG A 75 -0.830 -2.487 -0.726 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.818 -4.170 -3.681 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.331 -5.404 -2.934 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.272 -6.581 -3.133 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.864 -7.427 -4.252 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.650 -8.350 -4.800 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.875 -8.544 -4.333 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -1.209 -9.082 -5.815 1.00 1.87 N ATOM 0 H ARG A 75 1.189 -3.776 -2.015 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.468 -2.071 -3.782 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.905 -4.202 -3.748 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.435 -4.198 -4.701 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.667 -5.671 -3.282 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.248 -5.178 -1.871 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.304 -7.177 -2.221 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.282 -6.211 -3.308 1.00 1.08 H new ATOM 0 HE ARG A 75 0.074 -7.303 -4.634 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -3.217 -7.985 -3.552 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -3.475 -9.252 -4.755 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -0.266 -8.937 -6.176 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.813 -9.789 -6.234 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.609 -2.419 -2.079 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.507 -2.159 -0.955 1.00 0.39 C ATOM 1223 C VAL A 76 -4.936 -2.617 -1.210 1.00 0.31 C ATOM 1224 O VAL A 76 -5.585 -2.233 -2.182 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.465 -0.666 -0.446 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -2.786 0.268 -1.434 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.834 -0.109 -0.055 1.00 0.47 C ATOM 0 H VAL A 76 -3.054 -2.473 -2.995 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.114 -2.775 -0.146 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.863 -0.707 0.462 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -2.785 1.282 -1.034 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -1.759 -0.059 -1.597 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.327 0.252 -2.380 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.724 0.921 0.284 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.499 -0.138 -0.918 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.257 -0.713 0.748 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.404 -3.426 -0.271 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.738 -3.955 -0.269 1.00 0.31 C ATOM 1239 C ILE A 77 -7.512 -3.200 0.796 1.00 0.30 C ATOM 1240 O ILE A 77 -6.912 -2.705 1.749 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.717 -5.452 0.067 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.911 -6.221 -0.974 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -8.122 -5.992 0.159 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.148 -7.389 -0.392 1.00 0.42 C ATOM 0 H ILE A 77 -4.845 -3.733 0.525 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.200 -3.838 -1.249 1.00 0.31 H new ATOM 0 HB ILE A 77 -6.236 -5.583 1.037 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.585 -6.586 -1.749 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -5.209 -5.541 -1.456 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -8.088 -7.055 0.398 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.665 -5.461 0.941 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.629 -5.851 -0.795 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.596 -7.894 -1.184 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.450 -7.028 0.363 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.847 -8.089 0.065 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.821 -3.081 0.663 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.569 -2.343 1.671 1.00 0.30 C ATOM 1258 C ALA A 78 -11.043 -2.680 1.669 1.00 0.34 C ATOM 1259 O ALA A 78 -11.676 -2.757 0.620 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.375 -0.848 1.476 1.00 0.39 C ATOM 0 H ALA A 78 -9.374 -3.469 -0.102 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.175 -2.643 2.642 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.939 -0.306 2.235 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.317 -0.604 1.566 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.730 -0.561 0.486 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.588 -2.864 2.862 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.993 -3.178 3.004 1.00 0.43 C ATOM 1268 C LYS A 79 -13.831 -1.917 2.889 1.00 0.59 C ATOM 1269 O LYS A 79 -13.330 -0.859 2.509 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.261 -3.873 4.337 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.418 -5.114 4.560 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.279 -6.294 4.974 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.431 -7.484 5.396 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.798 -7.978 6.751 1.00 1.98 N ATOM 0 H LYS A 79 -11.076 -2.800 3.742 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.273 -3.859 2.200 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.075 -3.168 5.147 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.315 -4.147 4.388 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.876 -5.358 3.646 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.672 -4.917 5.330 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.929 -6.000 5.798 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.925 -6.582 4.145 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.551 -8.290 4.672 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.378 -7.201 5.386 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.196 -8.789 7.000 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.659 -7.218 7.447 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.795 -8.273 6.755 1.00 1.98 H new ATOM 1288 N ASN A 80 -15.108 -2.034 3.211 1.00 0.65 N ATOM 1289 CA ASN A 80 -16.014 -0.902 3.132 1.00 0.70 C ATOM 1290 C ASN A 80 -16.905 -0.818 4.365 1.00 0.87 C ATOM 1291 O ASN A 80 -16.924 -1.722 5.201 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.883 -1.024 1.885 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.329 -2.451 1.629 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.377 -3.271 2.544 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.655 -2.755 0.380 1.00 2.05 N ATOM 0 H ASN A 80 -15.540 -2.901 3.529 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.414 0.007 3.080 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.760 -0.386 1.993 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.327 -0.659 1.021 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -17.960 -3.700 0.148 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.601 -2.043 -0.349 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.645 0.278 4.462 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.552 0.505 5.578 1.00 0.82 C ATOM 1304 C ALA A 81 -19.427 -0.717 5.858 1.00 0.88 C ATOM 1305 O ALA A 81 -19.908 -0.898 6.976 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.430 1.714 5.291 1.00 0.83 C ATOM 0 H ALA A 81 -17.634 1.031 3.774 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.947 0.690 6.466 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.107 1.879 6.129 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.803 2.594 5.152 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.010 1.535 4.386 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.642 -1.545 4.839 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.472 -2.737 4.990 1.00 0.90 C ATOM 1314 C ALA A 82 -19.679 -3.931 5.506 1.00 0.88 C ATOM 1315 O ALA A 82 -20.254 -4.880 6.038 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.138 -3.084 3.670 1.00 0.94 C ATOM 0 H ALA A 82 -19.255 -1.414 3.904 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.235 -2.507 5.734 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.754 -3.974 3.796 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.765 -2.252 3.349 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.374 -3.275 2.916 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.361 -3.889 5.345 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.534 -4.987 5.802 1.00 0.86 C ATOM 1324 C GLY A 83 -16.933 -5.772 4.653 1.00 0.78 C ATOM 1325 O GLY A 83 -15.959 -6.499 4.837 1.00 0.93 O ATOM 0 H GLY A 83 -17.854 -3.119 4.909 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.733 -4.598 6.431 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.131 -5.655 6.422 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.511 -5.620 3.462 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.015 -6.318 2.283 1.00 0.78 C ATOM 1331 C ALA A 84 -15.589 -5.886 1.978 1.00 0.76 C ATOM 1332 O ALA A 84 -15.235 -4.725 2.178 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.917 -6.050 1.089 1.00 0.92 C ATOM 0 H ALA A 84 -18.319 -5.022 3.291 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.019 -7.389 2.485 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.533 -6.579 0.217 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.926 -6.399 1.309 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.940 -4.980 0.884 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.770 -6.817 1.500 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.382 -6.507 1.182 1.00 0.40 C ATOM 1341 C ILE A 85 -13.201 -6.141 -0.283 1.00 0.38 C ATOM 1342 O ILE A 85 -13.446 -6.950 -1.176 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.441 -7.675 1.535 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.976 -7.236 1.420 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.714 -8.871 0.634 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.226 -7.277 2.734 1.00 0.79 C ATOM 0 H ILE A 85 -15.041 -7.785 1.326 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.118 -5.643 1.792 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.631 -7.972 2.566 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.468 -7.879 0.701 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.940 -6.222 1.022 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.040 -9.686 0.898 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.746 -9.197 0.764 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.551 -8.588 -0.406 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.197 -6.954 2.576 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.709 -6.612 3.450 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.231 -8.295 3.124 1.00 0.79 H new ATOM 1358 N SER A 86 -12.759 -4.908 -0.516 1.00 0.39 N ATOM 1359 CA SER A 86 -12.531 -4.422 -1.871 1.00 0.45 C ATOM 1360 C SER A 86 -11.201 -4.958 -2.410 1.00 0.44 C ATOM 1361 O SER A 86 -10.161 -4.825 -1.752 1.00 0.43 O ATOM 1362 CB SER A 86 -12.546 -2.887 -1.898 1.00 0.54 C ATOM 1363 OG SER A 86 -11.234 -2.355 -1.862 1.00 0.59 O ATOM 0 H SER A 86 -12.552 -4.229 0.216 1.00 0.39 H new ATOM 0 HA SER A 86 -13.335 -4.784 -2.512 1.00 0.45 H new ATOM 0 HB2 SER A 86 -13.055 -2.543 -2.798 1.00 0.54 H new ATOM 0 HB3 SER A 86 -13.115 -2.513 -1.047 1.00 0.54 H new ATOM 0 HG SER A 86 -10.979 -2.176 -0.933 1.00 0.59 H new ATOM 1369 N PRO A 87 -11.222 -5.577 -3.612 1.00 0.52 N ATOM 1370 CA PRO A 87 -10.035 -6.152 -4.248 1.00 0.61 C ATOM 1371 C PRO A 87 -8.747 -5.372 -3.985 1.00 0.54 C ATOM 1372 O PRO A 87 -8.783 -4.192 -3.636 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.402 -6.094 -5.725 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.875 -6.332 -5.748 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.422 -5.778 -4.452 1.00 0.59 C ATOM 0 HA PRO A 87 -9.814 -7.148 -3.864 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -10.148 -5.127 -6.160 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.868 -6.852 -6.298 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -12.334 -5.838 -6.605 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -12.094 -7.396 -5.838 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.958 -4.842 -4.613 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -13.123 -6.471 -3.987 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.581 -6.033 -4.154 1.00 0.55 N ATOM 1384 CA PRO A 88 -6.271 -5.412 -3.937 1.00 0.56 C ATOM 1385 C PRO A 88 -5.888 -4.449 -5.055 1.00 0.48 C ATOM 1386 O PRO A 88 -6.098 -4.735 -6.234 1.00 0.68 O ATOM 1387 CB PRO A 88 -5.291 -6.598 -3.922 1.00 0.69 C ATOM 1388 CG PRO A 88 -6.134 -7.831 -3.944 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.439 -7.436 -4.568 1.00 0.72 C ATOM 0 HA PRO A 88 -6.265 -4.821 -3.021 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.626 -6.565 -4.785 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.661 -6.572 -3.033 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.652 -8.622 -4.518 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -6.286 -8.217 -2.936 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.417 -7.538 -5.653 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -8.264 -8.051 -4.207 1.00 0.72 H new ATOM 1397 N SER A 89 -5.311 -3.313 -4.677 1.00 0.43 N ATOM 1398 CA SER A 89 -4.883 -2.318 -5.651 1.00 0.42 C ATOM 1399 C SER A 89 -3.455 -2.607 -6.099 1.00 0.35 C ATOM 1400 O SER A 89 -2.569 -2.818 -5.265 1.00 0.51 O ATOM 1401 CB SER A 89 -4.977 -0.913 -5.056 1.00 0.56 C ATOM 1402 OG SER A 89 -4.164 -0.793 -3.904 1.00 1.28 O ATOM 0 H SER A 89 -5.130 -3.060 -3.706 1.00 0.43 H new ATOM 0 HA SER A 89 -5.542 -2.371 -6.517 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.670 -0.178 -5.800 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.013 -0.692 -4.799 1.00 0.56 H new ATOM 0 HG SER A 89 -4.691 -1.011 -3.107 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.250 -2.622 -7.421 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.940 -2.895 -8.026 1.00 0.37 C ATOM 1410 C GLU A 90 -0.783 -2.344 -7.184 1.00 0.34 C ATOM 1411 O GLU A 90 -0.731 -1.153 -6.906 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.885 -2.290 -9.430 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.511 -3.291 -10.511 1.00 0.90 C ATOM 1414 CD GLU A 90 -2.723 -3.935 -11.154 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -3.341 -3.295 -12.031 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -3.056 -5.079 -10.780 1.00 1.76 O ATOM 0 H GLU A 90 -3.988 -2.445 -8.103 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.823 -3.978 -8.076 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.857 -1.857 -9.668 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.162 -1.474 -9.437 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.921 -2.789 -11.278 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -0.878 -4.067 -10.080 1.00 0.90 H new ATOM 1423 N PRO A 91 0.161 -3.209 -6.767 1.00 0.30 N ATOM 1424 CA PRO A 91 1.310 -2.790 -5.953 1.00 0.29 C ATOM 1425 C PRO A 91 2.133 -1.677 -6.596 1.00 0.31 C ATOM 1426 O PRO A 91 2.291 -1.631 -7.816 1.00 0.55 O ATOM 1427 CB PRO A 91 2.164 -4.056 -5.838 1.00 0.36 C ATOM 1428 CG PRO A 91 1.247 -5.192 -6.140 1.00 0.36 C ATOM 1429 CD PRO A 91 0.180 -4.654 -7.052 1.00 0.39 C ATOM 0 HA PRO A 91 0.976 -2.384 -4.998 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.999 -4.030 -6.539 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.589 -4.152 -4.839 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.788 -6.010 -6.617 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.809 -5.590 -5.225 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.413 -4.851 -8.098 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.787 -5.113 -6.849 1.00 0.39 H new ATOM 1437 N SER A 92 2.673 -0.792 -5.759 1.00 0.27 N ATOM 1438 CA SER A 92 3.501 0.308 -6.230 1.00 0.31 C ATOM 1439 C SER A 92 4.882 -0.223 -6.574 1.00 0.27 C ATOM 1440 O SER A 92 5.348 -1.188 -5.955 1.00 0.24 O ATOM 1441 CB SER A 92 3.612 1.406 -5.159 1.00 0.39 C ATOM 1442 OG SER A 92 4.938 1.896 -5.042 1.00 1.23 O ATOM 0 H SER A 92 2.549 -0.819 -4.747 1.00 0.27 H new ATOM 0 HA SER A 92 3.041 0.745 -7.116 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.942 2.228 -5.410 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.285 1.010 -4.198 1.00 0.39 H new ATOM 0 HG SER A 92 5.325 1.593 -4.194 1.00 1.23 H new ATOM 1448 N ASP A 93 5.526 0.411 -7.555 1.00 0.33 N ATOM 1449 CA ASP A 93 6.865 0.018 -8.003 1.00 0.36 C ATOM 1450 C ASP A 93 7.738 -0.459 -6.851 1.00 0.32 C ATOM 1451 O ASP A 93 7.683 0.082 -5.747 1.00 0.56 O ATOM 1452 CB ASP A 93 7.553 1.186 -8.705 1.00 0.45 C ATOM 1453 CG ASP A 93 7.778 0.927 -10.183 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.149 -0.212 -10.536 1.00 1.55 O ATOM 1455 OD2 ASP A 93 7.584 1.864 -10.987 1.00 1.63 O ATOM 0 H ASP A 93 5.137 1.208 -8.060 1.00 0.33 H new ATOM 0 HA ASP A 93 6.737 -0.812 -8.698 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.948 2.085 -8.585 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.511 1.381 -8.224 1.00 0.45 H new ATOM 1460 N ALA A 94 8.542 -1.474 -7.121 1.00 0.33 N ATOM 1461 CA ALA A 94 9.429 -2.024 -6.111 1.00 0.28 C ATOM 1462 C ALA A 94 10.643 -1.123 -5.915 1.00 0.29 C ATOM 1463 O ALA A 94 11.478 -0.987 -6.810 1.00 0.41 O ATOM 1464 CB ALA A 94 9.865 -3.428 -6.499 1.00 0.34 C ATOM 0 H ALA A 94 8.598 -1.933 -8.030 1.00 0.33 H new ATOM 0 HA ALA A 94 8.887 -2.077 -5.167 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.529 -3.827 -5.733 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.988 -4.069 -6.589 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.390 -3.395 -7.453 1.00 0.34 H new ATOM 1470 N ILE A 95 10.731 -0.508 -4.744 1.00 0.25 N ATOM 1471 CA ILE A 95 11.835 0.387 -4.427 1.00 0.28 C ATOM 1472 C ILE A 95 12.963 -0.356 -3.717 1.00 0.26 C ATOM 1473 O ILE A 95 12.775 -0.899 -2.629 1.00 0.25 O ATOM 1474 CB ILE A 95 11.352 1.561 -3.555 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.291 2.360 -4.313 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.517 2.458 -3.155 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.872 1.913 -4.035 1.00 0.44 C ATOM 0 H ILE A 95 10.047 -0.613 -3.994 1.00 0.25 H new ATOM 0 HA ILE A 95 12.220 0.779 -5.368 1.00 0.28 H new ATOM 0 HB ILE A 95 10.912 1.162 -2.641 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.388 3.414 -4.051 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.484 2.279 -5.383 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.149 3.279 -2.540 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.245 1.878 -2.588 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.991 2.860 -4.051 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.178 2.527 -4.609 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.756 0.868 -4.324 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.658 2.021 -2.972 1.00 0.44 H new ATOM 1489 N THR A 96 14.134 -0.378 -4.347 1.00 0.29 N ATOM 1490 CA THR A 96 15.301 -1.056 -3.788 1.00 0.32 C ATOM 1491 C THR A 96 15.518 -0.668 -2.328 1.00 0.32 C ATOM 1492 O THR A 96 15.905 -1.500 -1.508 1.00 0.38 O ATOM 1493 CB THR A 96 16.547 -0.720 -4.609 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.370 -1.091 -5.965 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.801 -1.404 -4.106 1.00 0.43 C ATOM 0 H THR A 96 14.301 0.068 -5.249 1.00 0.29 H new ATOM 0 HA THR A 96 15.120 -2.130 -3.831 1.00 0.32 H new ATOM 0 HB THR A 96 16.676 0.358 -4.507 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.177 -0.866 -6.474 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.646 -1.122 -4.734 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.995 -1.098 -3.078 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.666 -2.485 -4.144 1.00 0.43 H new ATOM 1503 N CYS A 97 15.273 0.597 -2.008 1.00 0.32 N ATOM 1504 CA CYS A 97 15.446 1.084 -0.643 1.00 0.36 C ATOM 1505 C CYS A 97 16.860 0.804 -0.144 1.00 0.43 C ATOM 1506 O CYS A 97 17.128 -0.249 0.429 1.00 0.64 O ATOM 1507 CB CYS A 97 14.430 0.420 0.287 1.00 0.38 C ATOM 1508 SG CYS A 97 12.734 1.005 0.068 1.00 1.10 S ATOM 0 H CYS A 97 14.955 1.303 -2.672 1.00 0.32 H new ATOM 0 HA CYS A 97 15.283 2.162 -0.643 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.455 -0.657 0.124 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.732 0.593 1.320 1.00 0.38 H new ATOM 0 HG CYS A 97 12.221 0.460 -0.995 1.00 1.10 H new ATOM 1514 N ARG A 98 17.758 1.755 -0.367 1.00 0.53 N ATOM 1515 CA ARG A 98 19.146 1.616 0.058 1.00 0.63 C ATOM 1516 C ARG A 98 19.696 2.959 0.521 1.00 0.80 C ATOM 1517 O ARG A 98 19.646 3.288 1.706 1.00 1.04 O ATOM 1518 CB ARG A 98 20.007 1.047 -1.081 1.00 0.68 C ATOM 1519 CG ARG A 98 19.473 1.361 -2.473 1.00 0.74 C ATOM 1520 CD ARG A 98 20.583 1.776 -3.426 1.00 0.92 C ATOM 1521 NE ARG A 98 21.621 0.754 -3.532 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.771 0.934 -4.176 1.00 2.31 C ATOM 1523 NH1 ARG A 98 23.030 2.093 -4.766 1.00 3.00 N ATOM 1524 NH2 ARG A 98 23.662 -0.045 -4.230 1.00 2.68 N ATOM 0 H ARG A 98 17.550 2.634 -0.841 1.00 0.53 H new ATOM 0 HA ARG A 98 19.181 0.919 0.895 1.00 0.63 H new ATOM 0 HB2 ARG A 98 21.018 1.444 -0.992 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.078 -0.034 -0.965 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.961 0.485 -2.871 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.734 2.159 -2.407 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.161 1.969 -4.412 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.027 2.710 -3.081 1.00 0.92 H new ATOM 0 HE ARG A 98 21.455 -0.149 -3.087 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.347 2.849 -4.727 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.913 2.228 -5.259 1.00 3.00 H new ATOM 0 HH21 ARG A 98 23.467 -0.938 -3.777 1.00 2.68 H new ATOM 0 HH22 ARG A 98 24.543 0.094 -4.724 1.00 2.68 H new ATOM 1538 N ASP A 99 20.207 3.734 -0.422 1.00 0.92 N ATOM 1539 CA ASP A 99 20.755 5.048 -0.123 1.00 1.20 C ATOM 1540 C ASP A 99 19.832 6.153 -0.639 1.00 1.03 C ATOM 1541 O ASP A 99 20.012 7.326 -0.312 1.00 1.20 O ATOM 1542 CB ASP A 99 22.146 5.192 -0.740 1.00 1.61 C ATOM 1543 CG ASP A 99 22.145 6.079 -1.969 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.071 6.618 -2.310 1.00 2.08 O ATOM 1545 OD2 ASP A 99 23.218 6.237 -2.589 1.00 2.14 O ATOM 0 H ASP A 99 20.254 3.474 -1.407 1.00 0.92 H new ATOM 0 HA ASP A 99 20.835 5.147 0.960 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.829 5.606 0.002 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.525 4.206 -1.008 1.00 1.61 H new ATOM 1550 N ASP A 100 18.845 5.766 -1.448 1.00 0.85 N ATOM 1551 CA ASP A 100 17.885 6.706 -2.017 1.00 0.92 C ATOM 1552 C ASP A 100 18.582 7.868 -2.723 1.00 1.22 C ATOM 1553 O ASP A 100 17.989 8.928 -2.926 1.00 1.38 O ATOM 1554 CB ASP A 100 16.930 7.219 -0.929 1.00 0.87 C ATOM 1555 CG ASP A 100 17.540 8.304 -0.061 1.00 1.32 C ATOM 1556 OD1 ASP A 100 17.663 9.451 -0.543 1.00 2.06 O ATOM 1557 OD2 ASP A 100 17.896 8.008 1.098 1.00 2.03 O ATOM 0 H ASP A 100 18.691 4.796 -1.725 1.00 0.85 H new ATOM 0 HA ASP A 100 17.303 6.174 -2.769 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.026 7.605 -1.401 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.628 6.384 -0.297 1.00 0.87 H new ATOM 1562 N VAL A 101 19.836 7.659 -3.103 1.00 1.43 N ATOM 1563 CA VAL A 101 20.607 8.683 -3.791 1.00 1.90 C ATOM 1564 C VAL A 101 21.129 8.176 -5.134 1.00 2.23 C ATOM 1565 O VAL A 101 21.625 8.957 -5.947 1.00 2.80 O ATOM 1566 CB VAL A 101 21.794 9.157 -2.939 1.00 2.20 C ATOM 1567 CG1 VAL A 101 22.352 10.461 -3.485 1.00 2.67 C ATOM 1568 CG2 VAL A 101 21.370 9.313 -1.488 1.00 2.22 C ATOM 0 H VAL A 101 20.341 6.787 -2.945 1.00 1.43 H new ATOM 0 HA VAL A 101 19.933 9.522 -3.962 1.00 1.90 H new ATOM 0 HB VAL A 101 22.583 8.406 -2.986 1.00 2.20 H new ATOM 0 HG11 VAL A 101 23.192 10.783 -2.870 1.00 2.67 H new ATOM 0 HG12 VAL A 101 22.689 10.311 -4.511 1.00 2.67 H new ATOM 0 HG13 VAL A 101 21.575 11.225 -3.467 1.00 2.67 H new ATOM 0 HG21 VAL A 101 22.220 9.649 -0.895 1.00 2.22 H new ATOM 0 HG22 VAL A 101 20.567 10.047 -1.420 1.00 2.22 H new ATOM 0 HG23 VAL A 101 21.018 8.354 -1.107 1.00 2.22 H new ATOM 1578 N GLU A 102 21.016 6.868 -5.367 1.00 1.99 N ATOM 1579 CA GLU A 102 21.474 6.276 -6.610 1.00 2.40 C ATOM 1580 C GLU A 102 20.307 5.684 -7.397 1.00 2.00 C ATOM 1581 O GLU A 102 20.441 5.380 -8.583 1.00 2.49 O ATOM 1582 CB GLU A 102 22.517 5.192 -6.331 1.00 3.22 C ATOM 1583 CG GLU A 102 23.549 5.593 -5.288 1.00 3.87 C ATOM 1584 CD GLU A 102 23.000 5.541 -3.875 1.00 4.18 C ATOM 1585 OE1 GLU A 102 22.125 6.370 -3.547 1.00 4.47 O ATOM 1586 OE2 GLU A 102 23.445 4.672 -3.097 1.00 4.58 O ATOM 0 H GLU A 102 20.610 6.204 -4.707 1.00 1.99 H new ATOM 0 HA GLU A 102 21.930 7.064 -7.210 1.00 2.40 H new ATOM 0 HB2 GLU A 102 22.008 4.288 -5.997 1.00 3.22 H new ATOM 0 HB3 GLU A 102 23.030 4.945 -7.261 1.00 3.22 H new ATOM 0 HG2 GLU A 102 24.412 4.932 -5.363 1.00 3.87 H new ATOM 0 HG3 GLU A 102 23.901 6.602 -5.500 1.00 3.87 H new ATOM 1593 N ALA A 103 19.161 5.516 -6.736 1.00 1.84 N ATOM 1594 CA ALA A 103 17.985 4.957 -7.389 1.00 2.56 C ATOM 1595 C ALA A 103 16.755 5.053 -6.492 1.00 3.21 C ATOM 1596 O ALA A 103 15.885 5.904 -6.771 1.00 3.72 O ATOM 1597 CB ALA A 103 18.239 3.510 -7.781 1.00 3.26 C ATOM 1598 OXT ALA A 103 16.672 4.274 -5.519 1.00 3.79 O ATOM 0 H ALA A 103 19.026 5.759 -5.755 1.00 1.84 H new ATOM 0 HA ALA A 103 17.791 5.541 -8.289 1.00 2.56 H new ATOM 0 HB1 ALA A 103 17.352 3.104 -8.268 1.00 3.26 H new ATOM 0 HB2 ALA A 103 19.084 3.462 -8.468 1.00 3.26 H new ATOM 0 HB3 ALA A 103 18.463 2.925 -6.889 1.00 3.26 H new TER 1604 ALA A 103