USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1108 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 168 LYS NZ :NH3+ 156:sc= -1.12 (180deg=-3.1!) USER MOD Set 1.2: A 171 SER OG : rot 53:sc= 0.998 USER MOD Set 2.1: A 138 SER OG : rot -92:sc= 1.13 USER MOD Set 2.2: A 153 ASN : amide:sc= 0.978 K(o=2.1,f=-0.027) USER MOD Set 3.1: A 43 THR OG1 : rot 1:sc= 1.24 USER MOD Set 3.2: A 86 GLN : amide:sc= -0.377 X(o=0.86,f=1.3) USER MOD Set 4.1: A 21 GLN : amide:sc= 0.278 K(o=3,f=-6.4!) USER MOD Set 4.2: A 88 LYS NZ :NH3+ 158:sc= 2.7 (180deg=0.821) USER MOD Set 5.1: A 19 GLN : amide:sc= -1.06 K(o=-1.5,f=-0.29) USER MOD Set 5.2: A 25 ASN : amide:sc= -0.46 K(o=-1.5,f=-0.69) USER MOD Set 6.1: A 11 TYR OH : rot 30:sc= 0.498 USER MOD Set 6.2: A 121 LYS NZ :NH3+ 166:sc= 1.38 (180deg=-0.246) USER MOD Single : A 10 ASN : amide:sc= -0.017 K(o=-0.017,f=-3.2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.737 K(o=0.74,f=-13!) USER MOD Single : A 24 LYS NZ :NH3+ -121:sc= 1.24 (180deg=0.0959) USER MOD Single : A 27 SER OG : rot 49:sc= 1.61 USER MOD Single : A 30 SER OG : rot -154:sc= 0.822 USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 1.12 (180deg=0.443) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -169:sc=-0.00968 (180deg=-0.173) USER MOD Single : A 53 THR OG1 : rot -160:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.0953 X(o=-0.095,f=-0.2) USER MOD Single : A 56 MET CE :methyl 179:sc= 0 (180deg=-0.0017) USER MOD Single : A 57 THR OG1 : rot -87:sc= 1.03 USER MOD Single : A 60 GLN : amide:sc= 1.18 K(o=1.2,f=-1.4) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= 1.28 (180deg=-0.221!) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= 0.351! (180deg=-0.919!) USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0.744 (180deg=0.419) USER MOD Single : A 67 ASN : amide:sc= -0.83 X(o=-0.83,f=-1.1) USER MOD Single : A 74 SER OG : rot -96:sc= 1.75 USER MOD Single : A 76 SER OG : rot 69:sc= 0.234 USER MOD Single : A 81 ASN : amide:sc= 0.886 K(o=0.89,f=-0.2) USER MOD Single : A 83 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.211) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.984 K(o=0.98,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0.743 USER MOD Single : A 97 SER OG : rot 180:sc= -0.01 USER MOD Single : A 100 ASN : amide:sc= -0.0955 K(o=-0.096,f=-3.2!) USER MOD Single : A 105 THR OG1 : rot -79:sc= 0.499 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -119:sc= 1.23 USER MOD Single : A 109 GLN : amide:sc= -1.44! C(o=-1.4!,f=-4.1!) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0644 USER MOD Single : A 118 LYS NZ :NH3+ -168:sc= 2.01 (180deg=1.73) USER MOD Single : A 119 SER OG : rot 87:sc= 0.00614 USER MOD Single : A 140 TYR OH : rot -91:sc= 1.24 USER MOD Single : A 147 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0.915) USER MOD Single : A 150 LYS NZ :NH3+ -119:sc= -0.986 (180deg=-7.31!) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 TYR OH : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot 91:sc= 1.24 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot -48:sc= 0.862 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -15.088 -9.313 9.981 1.00 1.13 N ATOM 113 CA ASP A 7 -15.059 -9.165 8.532 1.00 0.90 C ATOM 114 C ASP A 7 -13.624 -9.377 7.996 1.00 0.91 C ATOM 115 O ASP A 7 -13.072 -8.492 7.345 1.00 1.06 O ATOM 116 CB ASP A 7 -15.585 -7.750 8.184 1.00 1.10 C ATOM 117 CG ASP A 7 -14.986 -6.623 9.039 1.00 2.03 C ATOM 118 OD1 ASP A 7 -14.132 -6.923 9.911 1.00 2.46 O ATOM 119 OD2 ASP A 7 -15.429 -5.474 8.842 1.00 3.30 O ATOM 0 HA ASP A 7 -15.692 -9.916 8.060 1.00 0.90 H new ATOM 0 HB2 ASP A 7 -15.374 -7.545 7.135 1.00 1.10 H new ATOM 0 HB3 ASP A 7 -16.669 -7.740 8.299 1.00 1.10 H new ATOM 124 N PRO A 8 -12.982 -10.540 8.228 1.00 1.11 N ATOM 125 CA PRO A 8 -11.629 -10.785 7.751 1.00 1.28 C ATOM 126 C PRO A 8 -11.623 -11.065 6.244 1.00 1.01 C ATOM 127 O PRO A 8 -12.584 -11.622 5.714 1.00 1.15 O ATOM 128 CB PRO A 8 -11.148 -12.015 8.523 1.00 1.71 C ATOM 129 CG PRO A 8 -12.441 -12.809 8.711 1.00 1.71 C ATOM 130 CD PRO A 8 -13.471 -11.704 8.948 1.00 1.45 C ATOM 0 HA PRO A 8 -10.984 -9.921 7.910 1.00 1.28 H new ATOM 0 HB2 PRO A 8 -10.402 -12.580 7.964 1.00 1.71 H new ATOM 0 HB3 PRO A 8 -10.695 -11.745 9.477 1.00 1.71 H new ATOM 0 HG2 PRO A 8 -12.682 -13.408 7.833 1.00 1.71 H new ATOM 0 HG3 PRO A 8 -12.378 -13.494 9.556 1.00 1.71 H new ATOM 0 HD2 PRO A 8 -14.454 -12.003 8.585 1.00 1.45 H new ATOM 0 HD3 PRO A 8 -13.576 -11.490 10.012 1.00 1.45 H new ATOM 138 N LEU A 9 -10.527 -10.725 5.561 1.00 0.89 N ATOM 139 CA LEU A 9 -10.310 -11.072 4.154 1.00 0.71 C ATOM 140 C LEU A 9 -9.251 -12.182 4.033 1.00 0.67 C ATOM 141 O LEU A 9 -8.701 -12.640 5.033 1.00 0.66 O ATOM 142 CB LEU A 9 -10.050 -9.861 3.236 1.00 0.77 C ATOM 143 CG LEU A 9 -9.632 -8.596 3.970 1.00 1.01 C ATOM 144 CD1 LEU A 9 -8.869 -7.683 3.019 1.00 1.22 C ATOM 145 CD2 LEU A 9 -10.842 -7.845 4.536 1.00 1.08 C ATOM 0 H LEU A 9 -9.758 -10.196 5.973 1.00 0.89 H new ATOM 0 HA LEU A 9 -11.250 -11.471 3.774 1.00 0.71 H new ATOM 0 HB2 LEU A 9 -9.273 -10.124 2.519 1.00 0.77 H new ATOM 0 HB3 LEU A 9 -10.954 -9.653 2.664 1.00 0.77 H new ATOM 0 HG LEU A 9 -8.994 -8.888 4.805 1.00 1.01 H new ATOM 0 HD11 LEU A 9 -8.570 -6.777 3.546 1.00 1.22 H new ATOM 0 HD12 LEU A 9 -7.982 -8.199 2.653 1.00 1.22 H new ATOM 0 HD13 LEU A 9 -9.509 -7.419 2.177 1.00 1.22 H new ATOM 0 HD21 LEU A 9 -10.504 -6.947 5.053 1.00 1.08 H new ATOM 0 HD22 LEU A 9 -11.510 -7.565 3.721 1.00 1.08 H new ATOM 0 HD23 LEU A 9 -11.374 -8.488 5.236 1.00 1.08 H new ATOM 157 N ASN A 10 -8.971 -12.623 2.802 1.00 0.73 N ATOM 158 CA ASN A 10 -7.835 -13.480 2.459 1.00 0.81 C ATOM 159 C ASN A 10 -7.376 -13.074 1.062 1.00 0.84 C ATOM 160 O ASN A 10 -7.417 -13.865 0.124 1.00 0.99 O ATOM 161 CB ASN A 10 -8.227 -14.967 2.501 1.00 0.93 C ATOM 162 CG ASN A 10 -8.476 -15.486 3.913 1.00 1.08 C ATOM 163 OD1 ASN A 10 -7.543 -15.864 4.616 1.00 1.65 O ATOM 164 ND2 ASN A 10 -9.737 -15.544 4.335 1.00 1.32 N ATOM 0 H ASN A 10 -9.547 -12.385 1.994 1.00 0.73 H new ATOM 0 HA ASN A 10 -7.029 -13.353 3.181 1.00 0.81 H new ATOM 0 HB2 ASN A 10 -9.126 -15.115 1.903 1.00 0.93 H new ATOM 0 HB3 ASN A 10 -7.436 -15.557 2.039 1.00 0.93 H new ATOM 0 HD21 ASN A 10 -9.948 -15.909 5.264 1.00 1.32 H new ATOM 0 HD22 ASN A 10 -10.493 -15.223 3.730 1.00 1.32 H new ATOM 171 N TYR A 11 -6.984 -11.809 0.908 1.00 0.77 N ATOM 172 CA TYR A 11 -6.805 -11.201 -0.408 1.00 0.86 C ATOM 173 C TYR A 11 -5.332 -11.291 -0.818 1.00 0.99 C ATOM 174 O TYR A 11 -4.481 -10.640 -0.219 1.00 0.84 O ATOM 175 CB TYR A 11 -7.360 -9.774 -0.349 1.00 0.87 C ATOM 176 CG TYR A 11 -7.975 -9.166 -1.602 1.00 0.96 C ATOM 177 CD1 TYR A 11 -7.698 -9.659 -2.891 1.00 1.87 C ATOM 178 CD2 TYR A 11 -8.779 -8.017 -1.464 1.00 2.11 C ATOM 179 CE1 TYR A 11 -8.248 -9.028 -4.022 1.00 1.95 C ATOM 180 CE2 TYR A 11 -9.244 -7.331 -2.601 1.00 2.15 C ATOM 181 CZ TYR A 11 -8.931 -7.805 -3.884 1.00 1.20 C ATOM 182 OH TYR A 11 -9.327 -7.102 -4.992 1.00 1.45 O ATOM 0 H TYR A 11 -6.783 -11.182 1.687 1.00 0.77 H new ATOM 0 HA TYR A 11 -7.357 -11.729 -1.185 1.00 0.86 H new ATOM 0 HB2 TYR A 11 -8.117 -9.748 0.434 1.00 0.87 H new ATOM 0 HB3 TYR A 11 -6.549 -9.119 -0.030 1.00 0.87 H new ATOM 0 HD1 TYR A 11 -7.062 -10.523 -3.012 1.00 1.87 H new ATOM 0 HD2 TYR A 11 -9.040 -7.660 -0.479 1.00 2.11 H new ATOM 0 HE1 TYR A 11 -8.146 -9.482 -4.996 1.00 1.95 H new ATOM 0 HE2 TYR A 11 -9.842 -6.439 -2.486 1.00 2.15 H new ATOM 0 HH TYR A 11 -9.509 -7.725 -5.727 1.00 1.45 H new ATOM 192 N GLU A 12 -5.024 -12.147 -1.791 1.00 1.31 N ATOM 193 CA GLU A 12 -3.684 -12.650 -2.057 1.00 1.36 C ATOM 194 C GLU A 12 -2.827 -11.611 -2.785 1.00 1.35 C ATOM 195 O GLU A 12 -2.927 -11.489 -4.002 1.00 1.57 O ATOM 196 CB GLU A 12 -3.827 -13.889 -2.950 1.00 1.90 C ATOM 197 CG GLU A 12 -4.654 -15.019 -2.318 1.00 2.38 C ATOM 198 CD GLU A 12 -5.066 -16.031 -3.374 1.00 3.31 C ATOM 199 OE1 GLU A 12 -5.692 -15.584 -4.366 1.00 4.72 O ATOM 200 OE2 GLU A 12 -4.766 -17.225 -3.203 1.00 3.20 O ATOM 0 H GLU A 12 -5.724 -12.519 -2.433 1.00 1.31 H new ATOM 0 HA GLU A 12 -3.194 -12.884 -1.112 1.00 1.36 H new ATOM 0 HB2 GLU A 12 -4.291 -13.595 -3.891 1.00 1.90 H new ATOM 0 HB3 GLU A 12 -2.834 -14.269 -3.189 1.00 1.90 H new ATOM 0 HG2 GLU A 12 -4.072 -15.513 -1.540 1.00 2.38 H new ATOM 0 HG3 GLU A 12 -5.540 -14.604 -1.838 1.00 2.38 H new ATOM 207 N VAL A 13 -1.937 -10.903 -2.083 1.00 1.18 N ATOM 208 CA VAL A 13 -0.894 -10.147 -2.748 1.00 1.09 C ATOM 209 C VAL A 13 0.228 -11.131 -3.120 1.00 1.01 C ATOM 210 O VAL A 13 0.746 -11.833 -2.252 1.00 1.22 O ATOM 211 CB VAL A 13 -0.461 -8.928 -1.903 1.00 1.15 C ATOM 212 CG1 VAL A 13 -1.535 -8.397 -0.949 1.00 2.18 C ATOM 213 CG2 VAL A 13 0.793 -9.146 -1.070 1.00 1.29 C ATOM 0 H VAL A 13 -1.925 -10.843 -1.065 1.00 1.18 H new ATOM 0 HA VAL A 13 -1.246 -9.695 -3.675 1.00 1.09 H new ATOM 0 HB VAL A 13 -0.264 -8.194 -2.685 1.00 1.15 H new ATOM 0 HG11 VAL A 13 -1.142 -7.542 -0.398 1.00 2.18 H new ATOM 0 HG12 VAL A 13 -2.410 -8.089 -1.521 1.00 2.18 H new ATOM 0 HG13 VAL A 13 -1.819 -9.182 -0.247 1.00 2.18 H new ATOM 0 HG21 VAL A 13 1.021 -8.238 -0.511 1.00 1.29 H new ATOM 0 HG22 VAL A 13 0.629 -9.969 -0.375 1.00 1.29 H new ATOM 0 HG23 VAL A 13 1.629 -9.387 -1.727 1.00 1.29 H new ATOM 223 N GLU A 14 0.567 -11.238 -4.407 1.00 0.89 N ATOM 224 CA GLU A 14 1.452 -12.298 -4.878 1.00 0.87 C ATOM 225 C GLU A 14 2.925 -12.012 -4.577 1.00 0.74 C ATOM 226 O GLU A 14 3.361 -10.867 -4.713 1.00 0.73 O ATOM 227 CB GLU A 14 1.278 -12.526 -6.375 1.00 0.99 C ATOM 228 CG GLU A 14 -0.134 -13.007 -6.716 1.00 1.68 C ATOM 229 CD GLU A 14 -0.451 -14.412 -6.220 1.00 2.61 C ATOM 230 OE1 GLU A 14 0.497 -15.152 -5.889 1.00 3.40 O ATOM 231 OE2 GLU A 14 -1.666 -14.715 -6.184 1.00 3.65 O ATOM 0 H GLU A 14 0.242 -10.604 -5.137 1.00 0.89 H new ATOM 0 HA GLU A 14 1.167 -13.198 -4.333 1.00 0.87 H new ATOM 0 HB2 GLU A 14 1.486 -11.600 -6.910 1.00 0.99 H new ATOM 0 HB3 GLU A 14 2.005 -13.262 -6.718 1.00 0.99 H new ATOM 0 HG2 GLU A 14 -0.856 -12.311 -6.289 1.00 1.68 H new ATOM 0 HG3 GLU A 14 -0.265 -12.977 -7.798 1.00 1.68 H new ATOM 238 N PRO A 15 3.710 -13.037 -4.207 1.00 0.73 N ATOM 239 CA PRO A 15 5.158 -12.951 -4.147 1.00 0.66 C ATOM 240 C PRO A 15 5.765 -12.429 -5.448 1.00 0.58 C ATOM 241 O PRO A 15 5.371 -12.846 -6.535 1.00 0.60 O ATOM 242 CB PRO A 15 5.648 -14.361 -3.817 1.00 0.72 C ATOM 243 CG PRO A 15 4.473 -14.931 -3.027 1.00 0.91 C ATOM 244 CD PRO A 15 3.267 -14.346 -3.760 1.00 0.89 C ATOM 0 HA PRO A 15 5.471 -12.234 -3.388 1.00 0.66 H new ATOM 0 HB2 PRO A 15 5.855 -14.942 -4.716 1.00 0.72 H new ATOM 0 HB3 PRO A 15 6.566 -14.346 -3.229 1.00 0.72 H new ATOM 0 HG2 PRO A 15 4.466 -16.021 -3.040 1.00 0.91 H new ATOM 0 HG3 PRO A 15 4.500 -14.625 -1.981 1.00 0.91 H new ATOM 0 HD2 PRO A 15 2.972 -14.973 -4.601 1.00 0.89 H new ATOM 0 HD3 PRO A 15 2.402 -14.268 -3.101 1.00 0.89 H new ATOM 252 N PHE A 16 6.741 -11.529 -5.328 1.00 0.55 N ATOM 253 CA PHE A 16 7.504 -10.954 -6.420 1.00 0.52 C ATOM 254 C PHE A 16 8.662 -10.201 -5.764 1.00 0.50 C ATOM 255 O PHE A 16 8.689 -10.099 -4.531 1.00 0.52 O ATOM 256 CB PHE A 16 6.622 -10.034 -7.279 1.00 0.60 C ATOM 257 CG PHE A 16 7.301 -9.534 -8.539 1.00 0.81 C ATOM 258 CD1 PHE A 16 7.530 -10.420 -9.607 1.00 1.81 C ATOM 259 CD2 PHE A 16 7.754 -8.204 -8.625 1.00 1.90 C ATOM 260 CE1 PHE A 16 8.190 -9.972 -10.765 1.00 2.01 C ATOM 261 CE2 PHE A 16 8.398 -7.752 -9.789 1.00 2.07 C ATOM 262 CZ PHE A 16 8.617 -8.636 -10.859 1.00 1.45 C ATOM 0 H PHE A 16 7.030 -11.168 -4.419 1.00 0.55 H new ATOM 0 HA PHE A 16 7.880 -11.716 -7.103 1.00 0.52 H new ATOM 0 HB2 PHE A 16 5.715 -10.571 -7.556 1.00 0.60 H new ATOM 0 HB3 PHE A 16 6.315 -9.177 -6.679 1.00 0.60 H new ATOM 0 HD1 PHE A 16 7.199 -11.446 -9.538 1.00 1.81 H new ATOM 0 HD2 PHE A 16 7.606 -7.530 -7.794 1.00 1.90 H new ATOM 0 HE1 PHE A 16 8.369 -10.655 -11.583 1.00 2.01 H new ATOM 0 HE2 PHE A 16 8.725 -6.725 -9.861 1.00 2.07 H new ATOM 0 HZ PHE A 16 9.113 -8.289 -11.753 1.00 1.45 H new ATOM 272 N THR A 17 9.613 -9.712 -6.563 1.00 0.51 N ATOM 273 CA THR A 17 10.825 -9.056 -6.101 1.00 0.50 C ATOM 274 C THR A 17 10.878 -7.639 -6.669 1.00 0.56 C ATOM 275 O THR A 17 11.205 -7.443 -7.837 1.00 0.87 O ATOM 276 CB THR A 17 12.042 -9.903 -6.491 1.00 0.52 C ATOM 277 OG1 THR A 17 11.846 -11.221 -6.013 1.00 0.58 O ATOM 278 CG2 THR A 17 13.311 -9.348 -5.842 1.00 0.57 C ATOM 0 H THR A 17 9.553 -9.766 -7.580 1.00 0.51 H new ATOM 0 HA THR A 17 10.831 -8.968 -5.015 1.00 0.50 H new ATOM 0 HB THR A 17 12.151 -9.886 -7.575 1.00 0.52 H new ATOM 0 HG1 THR A 17 12.616 -11.775 -6.257 1.00 0.58 H new ATOM 0 HG21 THR A 17 14.165 -9.961 -6.130 1.00 0.57 H new ATOM 0 HG22 THR A 17 13.472 -8.323 -6.176 1.00 0.57 H new ATOM 0 HG23 THR A 17 13.202 -9.364 -4.758 1.00 0.57 H new ATOM 286 N PHE A 18 10.573 -6.656 -5.825 1.00 0.41 N ATOM 287 CA PHE A 18 10.482 -5.251 -6.183 1.00 0.46 C ATOM 288 C PHE A 18 11.790 -4.563 -5.808 1.00 0.45 C ATOM 289 O PHE A 18 12.680 -5.176 -5.206 1.00 0.46 O ATOM 290 CB PHE A 18 9.336 -4.607 -5.395 1.00 0.50 C ATOM 291 CG PHE A 18 8.038 -5.391 -5.393 1.00 0.58 C ATOM 292 CD1 PHE A 18 7.107 -5.216 -6.434 1.00 2.37 C ATOM 293 CD2 PHE A 18 7.772 -6.315 -4.363 1.00 1.72 C ATOM 294 CE1 PHE A 18 5.903 -5.941 -6.429 1.00 2.51 C ATOM 295 CE2 PHE A 18 6.578 -7.054 -4.371 1.00 1.64 C ATOM 296 CZ PHE A 18 5.636 -6.855 -5.393 1.00 0.87 C ATOM 0 H PHE A 18 10.376 -6.827 -4.839 1.00 0.41 H new ATOM 0 HA PHE A 18 10.298 -5.149 -7.253 1.00 0.46 H new ATOM 0 HB2 PHE A 18 9.659 -4.466 -4.364 1.00 0.50 H new ATOM 0 HB3 PHE A 18 9.144 -3.616 -5.807 1.00 0.50 H new ATOM 0 HD1 PHE A 18 7.318 -4.525 -7.237 1.00 2.37 H new ATOM 0 HD2 PHE A 18 8.487 -6.455 -3.566 1.00 1.72 H new ATOM 0 HE1 PHE A 18 5.183 -5.797 -7.221 1.00 2.51 H new ATOM 0 HE2 PHE A 18 6.384 -7.775 -3.591 1.00 1.64 H new ATOM 0 HZ PHE A 18 4.706 -7.404 -5.384 1.00 0.87 H new ATOM 306 N GLN A 19 11.918 -3.280 -6.149 1.00 0.48 N ATOM 307 CA GLN A 19 12.944 -2.421 -5.589 1.00 0.46 C ATOM 308 C GLN A 19 12.256 -1.297 -4.822 1.00 0.43 C ATOM 309 O GLN A 19 11.184 -0.829 -5.214 1.00 0.42 O ATOM 310 CB GLN A 19 13.885 -1.869 -6.658 1.00 0.57 C ATOM 311 CG GLN A 19 14.920 -2.899 -7.135 1.00 1.06 C ATOM 312 CD GLN A 19 14.386 -3.923 -8.135 1.00 1.53 C ATOM 313 OE1 GLN A 19 14.370 -3.667 -9.333 1.00 1.74 O ATOM 314 NE2 GLN A 19 13.980 -5.104 -7.674 1.00 3.20 N ATOM 0 H GLN A 19 11.310 -2.814 -6.822 1.00 0.48 H new ATOM 0 HA GLN A 19 13.571 -3.006 -4.916 1.00 0.46 H new ATOM 0 HB2 GLN A 19 13.298 -1.530 -7.511 1.00 0.57 H new ATOM 0 HB3 GLN A 19 14.404 -0.997 -6.262 1.00 0.57 H new ATOM 0 HG2 GLN A 19 15.757 -2.369 -7.590 1.00 1.06 H new ATOM 0 HG3 GLN A 19 15.312 -3.429 -6.267 1.00 1.06 H new ATOM 0 HE21 GLN A 19 14.002 -5.295 -6.672 1.00 3.20 H new ATOM 0 HE22 GLN A 19 13.647 -5.817 -8.322 1.00 3.20 H new ATOM 323 N ASN A 20 12.875 -0.906 -3.714 1.00 0.47 N ATOM 324 CA ASN A 20 12.429 0.184 -2.861 1.00 0.47 C ATOM 325 C ASN A 20 13.072 1.518 -3.252 1.00 0.55 C ATOM 326 O ASN A 20 13.942 1.578 -4.119 1.00 0.63 O ATOM 327 CB ASN A 20 12.619 -0.173 -1.376 1.00 0.50 C ATOM 328 CG ASN A 20 14.046 -0.006 -0.878 1.00 0.68 C ATOM 329 OD1 ASN A 20 14.943 0.340 -1.641 1.00 1.05 O ATOM 330 ND2 ASN A 20 14.264 -0.217 0.414 1.00 0.70 N ATOM 0 H ASN A 20 13.727 -1.354 -3.376 1.00 0.47 H new ATOM 0 HA ASN A 20 11.359 0.323 -3.016 1.00 0.47 H new ATOM 0 HB2 ASN A 20 11.960 0.453 -0.775 1.00 0.50 H new ATOM 0 HB3 ASN A 20 12.309 -1.206 -1.219 1.00 0.50 H new ATOM 0 HD21 ASN A 20 15.200 -0.092 0.800 1.00 0.70 H new ATOM 0 HD22 ASN A 20 13.496 -0.504 1.021 1.00 0.70 H new ATOM 337 N GLN A 21 12.656 2.590 -2.578 1.00 0.60 N ATOM 338 CA GLN A 21 13.182 3.940 -2.755 1.00 0.79 C ATOM 339 C GLN A 21 14.702 4.067 -2.555 1.00 0.83 C ATOM 340 O GLN A 21 15.293 5.017 -3.062 1.00 0.96 O ATOM 341 CB GLN A 21 12.386 4.924 -1.879 1.00 1.03 C ATOM 342 CG GLN A 21 12.335 4.578 -0.379 1.00 1.19 C ATOM 343 CD GLN A 21 13.668 4.766 0.336 1.00 1.61 C ATOM 344 OE1 GLN A 21 14.296 5.814 0.205 1.00 2.39 O ATOM 345 NE2 GLN A 21 14.101 3.784 1.116 1.00 1.79 N ATOM 0 H GLN A 21 11.921 2.539 -1.873 1.00 0.60 H new ATOM 0 HA GLN A 21 13.041 4.200 -3.804 1.00 0.79 H new ATOM 0 HB2 GLN A 21 12.820 5.917 -1.991 1.00 1.03 H new ATOM 0 HB3 GLN A 21 11.365 4.978 -2.257 1.00 1.03 H new ATOM 0 HG2 GLN A 21 11.582 5.201 0.104 1.00 1.19 H new ATOM 0 HG3 GLN A 21 12.013 3.543 -0.264 1.00 1.19 H new ATOM 0 HE21 GLN A 21 13.557 2.926 1.205 1.00 1.79 H new ATOM 0 HE22 GLN A 21 14.978 3.888 1.627 1.00 1.79 H new ATOM 354 N ASP A 22 15.334 3.130 -1.838 1.00 0.83 N ATOM 355 CA ASP A 22 16.785 3.076 -1.656 1.00 0.87 C ATOM 356 C ASP A 22 17.473 2.456 -2.885 1.00 0.74 C ATOM 357 O ASP A 22 18.695 2.366 -2.948 1.00 0.86 O ATOM 358 CB ASP A 22 17.092 2.320 -0.354 1.00 1.08 C ATOM 359 CG ASP A 22 18.554 2.412 0.056 1.00 2.24 C ATOM 360 OD1 ASP A 22 19.019 3.559 0.226 1.00 2.92 O ATOM 361 OD2 ASP A 22 19.151 1.332 0.261 1.00 3.30 O ATOM 0 H ASP A 22 14.840 2.376 -1.361 1.00 0.83 H new ATOM 0 HA ASP A 22 17.190 4.084 -1.567 1.00 0.87 H new ATOM 0 HB2 ASP A 22 16.470 2.719 0.447 1.00 1.08 H new ATOM 0 HB3 ASP A 22 16.820 1.272 -0.476 1.00 1.08 H new ATOM 366 N GLY A 23 16.692 2.012 -3.878 1.00 0.69 N ATOM 367 CA GLY A 23 17.187 1.236 -5.005 1.00 0.73 C ATOM 368 C GLY A 23 17.561 -0.174 -4.554 1.00 0.80 C ATOM 369 O GLY A 23 18.314 -0.867 -5.234 1.00 1.04 O ATOM 0 H GLY A 23 15.688 2.188 -3.915 1.00 0.69 H new ATOM 0 HA2 GLY A 23 16.426 1.186 -5.783 1.00 0.73 H new ATOM 0 HA3 GLY A 23 18.056 1.728 -5.441 1.00 0.73 H new ATOM 373 N LYS A 24 17.028 -0.602 -3.407 1.00 0.69 N ATOM 374 CA LYS A 24 17.394 -1.830 -2.735 1.00 0.71 C ATOM 375 C LYS A 24 16.302 -2.851 -3.053 1.00 0.60 C ATOM 376 O LYS A 24 15.115 -2.526 -3.017 1.00 0.59 O ATOM 377 CB LYS A 24 17.499 -1.490 -1.240 1.00 0.84 C ATOM 378 CG LYS A 24 18.263 -2.452 -0.331 1.00 0.85 C ATOM 379 CD LYS A 24 17.643 -3.851 -0.392 1.00 1.81 C ATOM 380 CE LYS A 24 17.827 -4.694 0.870 1.00 2.19 C ATOM 381 NZ LYS A 24 17.298 -6.057 0.646 1.00 3.35 N ATOM 0 H LYS A 24 16.306 -0.078 -2.912 1.00 0.69 H new ATOM 0 HA LYS A 24 18.346 -2.256 -3.053 1.00 0.71 H new ATOM 0 HB2 LYS A 24 17.966 -0.509 -1.154 1.00 0.84 H new ATOM 0 HB3 LYS A 24 16.486 -1.396 -0.848 1.00 0.84 H new ATOM 0 HG2 LYS A 24 19.309 -2.497 -0.636 1.00 0.85 H new ATOM 0 HG3 LYS A 24 18.246 -2.084 0.695 1.00 0.85 H new ATOM 0 HD2 LYS A 24 16.576 -3.751 -0.592 1.00 1.81 H new ATOM 0 HD3 LYS A 24 18.076 -4.388 -1.236 1.00 1.81 H new ATOM 0 HE2 LYS A 24 18.883 -4.743 1.134 1.00 2.19 H new ATOM 0 HE3 LYS A 24 17.310 -4.227 1.708 1.00 2.19 H new ATOM 0 HZ1 LYS A 24 16.549 -6.257 1.340 1.00 3.35 H new ATOM 0 HZ2 LYS A 24 16.906 -6.124 -0.315 1.00 3.35 H new ATOM 0 HZ3 LYS A 24 18.066 -6.750 0.756 1.00 3.35 H new ATOM 395 N ASN A 25 16.689 -4.092 -3.357 1.00 0.55 N ATOM 396 CA ASN A 25 15.751 -5.141 -3.733 1.00 0.49 C ATOM 397 C ASN A 25 15.027 -5.653 -2.489 1.00 0.48 C ATOM 398 O ASN A 25 15.666 -5.957 -1.474 1.00 0.53 O ATOM 399 CB ASN A 25 16.482 -6.294 -4.434 1.00 0.52 C ATOM 400 CG ASN A 25 17.385 -5.806 -5.560 1.00 1.80 C ATOM 401 OD1 ASN A 25 18.523 -5.426 -5.302 1.00 2.47 O ATOM 402 ND2 ASN A 25 16.904 -5.789 -6.800 1.00 3.06 N ATOM 0 H ASN A 25 17.663 -4.394 -3.348 1.00 0.55 H new ATOM 0 HA ASN A 25 15.021 -4.727 -4.428 1.00 0.49 H new ATOM 0 HB2 ASN A 25 17.079 -6.841 -3.704 1.00 0.52 H new ATOM 0 HB3 ASN A 25 15.750 -6.995 -4.836 1.00 0.52 H new ATOM 0 HD21 ASN A 25 17.485 -5.454 -7.568 1.00 3.06 H new ATOM 0 HD22 ASN A 25 15.954 -6.111 -6.983 1.00 3.06 H new ATOM 409 N VAL A 26 13.698 -5.739 -2.562 1.00 0.50 N ATOM 410 CA VAL A 26 12.844 -6.230 -1.491 1.00 0.55 C ATOM 411 C VAL A 26 11.784 -7.113 -2.135 1.00 0.60 C ATOM 412 O VAL A 26 11.168 -6.707 -3.120 1.00 0.66 O ATOM 413 CB VAL A 26 12.190 -5.073 -0.732 1.00 0.63 C ATOM 414 CG1 VAL A 26 11.378 -5.573 0.472 1.00 1.80 C ATOM 415 CG2 VAL A 26 13.209 -4.036 -0.241 1.00 2.20 C ATOM 0 H VAL A 26 13.176 -5.460 -3.393 1.00 0.50 H new ATOM 0 HA VAL A 26 13.432 -6.792 -0.765 1.00 0.55 H new ATOM 0 HB VAL A 26 11.525 -4.594 -1.450 1.00 0.63 H new ATOM 0 HG11 VAL A 26 10.929 -4.723 0.986 1.00 1.80 H new ATOM 0 HG12 VAL A 26 10.592 -6.245 0.127 1.00 1.80 H new ATOM 0 HG13 VAL A 26 12.036 -6.106 1.159 1.00 1.80 H new ATOM 0 HG21 VAL A 26 12.689 -3.239 0.290 1.00 2.20 H new ATOM 0 HG22 VAL A 26 13.921 -4.515 0.431 1.00 2.20 H new ATOM 0 HG23 VAL A 26 13.741 -3.616 -1.095 1.00 2.20 H new ATOM 425 N SER A 27 11.573 -8.313 -1.599 1.00 0.67 N ATOM 426 CA SER A 27 10.520 -9.193 -2.065 1.00 0.73 C ATOM 427 C SER A 27 9.396 -9.217 -1.048 1.00 0.81 C ATOM 428 O SER A 27 9.598 -8.892 0.121 1.00 0.82 O ATOM 429 CB SER A 27 11.094 -10.593 -2.296 1.00 0.75 C ATOM 430 OG SER A 27 10.080 -11.505 -2.672 1.00 2.13 O ATOM 0 H SER A 27 12.128 -8.695 -0.833 1.00 0.67 H new ATOM 0 HA SER A 27 10.116 -8.830 -3.010 1.00 0.73 H new ATOM 0 HB2 SER A 27 11.857 -10.553 -3.073 1.00 0.75 H new ATOM 0 HB3 SER A 27 11.583 -10.943 -1.387 1.00 0.75 H new ATOM 0 HG SER A 27 9.545 -11.119 -3.396 1.00 2.13 H new ATOM 436 N LEU A 28 8.226 -9.680 -1.481 1.00 0.88 N ATOM 437 CA LEU A 28 7.210 -10.104 -0.545 1.00 0.85 C ATOM 438 C LEU A 28 7.792 -11.148 0.404 1.00 0.74 C ATOM 439 O LEU A 28 7.496 -11.131 1.594 1.00 0.68 O ATOM 440 CB LEU A 28 6.039 -10.709 -1.309 1.00 0.94 C ATOM 441 CG LEU A 28 4.724 -10.187 -0.738 1.00 1.12 C ATOM 442 CD1 LEU A 28 4.381 -8.889 -1.479 1.00 1.48 C ATOM 443 CD2 LEU A 28 3.660 -11.259 -0.943 1.00 1.33 C ATOM 0 H LEU A 28 7.968 -9.767 -2.464 1.00 0.88 H new ATOM 0 HA LEU A 28 6.866 -9.245 0.030 1.00 0.85 H new ATOM 0 HB2 LEU A 28 6.113 -10.455 -2.366 1.00 0.94 H new ATOM 0 HB3 LEU A 28 6.070 -11.796 -1.239 1.00 0.94 H new ATOM 0 HG LEU A 28 4.788 -9.973 0.329 1.00 1.12 H new ATOM 0 HD11 LEU A 28 3.443 -8.487 -1.094 1.00 1.48 H new ATOM 0 HD12 LEU A 28 5.178 -8.161 -1.326 1.00 1.48 H new ATOM 0 HD13 LEU A 28 4.278 -9.095 -2.544 1.00 1.48 H new ATOM 0 HD21 LEU A 28 2.709 -10.909 -0.542 1.00 1.33 H new ATOM 0 HD22 LEU A 28 3.551 -11.465 -2.008 1.00 1.33 H new ATOM 0 HD23 LEU A 28 3.958 -12.171 -0.426 1.00 1.33 H new ATOM 455 N GLU A 29 8.640 -12.039 -0.127 1.00 0.79 N ATOM 456 CA GLU A 29 9.301 -13.074 0.652 1.00 0.81 C ATOM 457 C GLU A 29 10.030 -12.438 1.849 1.00 0.66 C ATOM 458 O GLU A 29 9.963 -12.943 2.965 1.00 0.79 O ATOM 459 CB GLU A 29 10.207 -13.916 -0.264 1.00 0.97 C ATOM 460 CG GLU A 29 10.029 -15.431 -0.062 1.00 1.23 C ATOM 461 CD GLU A 29 8.677 -15.985 -0.511 1.00 2.79 C ATOM 462 OE1 GLU A 29 7.849 -15.247 -1.093 1.00 3.70 O ATOM 463 OE2 GLU A 29 8.401 -17.168 -0.212 1.00 4.18 O ATOM 0 H GLU A 29 8.883 -12.055 -1.118 1.00 0.79 H new ATOM 0 HA GLU A 29 8.573 -13.766 1.075 1.00 0.81 H new ATOM 0 HB2 GLU A 29 9.995 -13.667 -1.304 1.00 0.97 H new ATOM 0 HB3 GLU A 29 11.248 -13.651 -0.079 1.00 0.97 H new ATOM 0 HG2 GLU A 29 10.817 -15.951 -0.607 1.00 1.23 H new ATOM 0 HG3 GLU A 29 10.167 -15.661 0.995 1.00 1.23 H new ATOM 470 N SER A 30 10.644 -11.268 1.632 1.00 0.53 N ATOM 471 CA SER A 30 11.304 -10.452 2.645 1.00 0.53 C ATOM 472 C SER A 30 10.392 -9.958 3.783 1.00 0.49 C ATOM 473 O SER A 30 10.874 -9.222 4.648 1.00 0.66 O ATOM 474 CB SER A 30 12.032 -9.291 1.981 1.00 0.60 C ATOM 475 OG SER A 30 12.569 -9.655 0.718 1.00 1.39 O ATOM 0 H SER A 30 10.693 -10.851 0.703 1.00 0.53 H new ATOM 0 HA SER A 30 12.018 -11.112 3.138 1.00 0.53 H new ATOM 0 HB2 SER A 30 11.344 -8.455 1.855 1.00 0.60 H new ATOM 0 HB3 SER A 30 12.836 -8.947 2.632 1.00 0.60 H new ATOM 0 HG SER A 30 13.338 -9.083 0.512 1.00 1.39 H new ATOM 481 N LEU A 31 9.083 -10.223 3.706 1.00 0.42 N ATOM 482 CA LEU A 31 8.048 -9.848 4.663 1.00 0.43 C ATOM 483 C LEU A 31 7.127 -11.038 4.991 1.00 0.47 C ATOM 484 O LEU A 31 6.088 -10.862 5.624 1.00 0.93 O ATOM 485 CB LEU A 31 7.195 -8.755 4.008 1.00 0.51 C ATOM 486 CG LEU A 31 7.994 -7.565 3.468 1.00 0.48 C ATOM 487 CD1 LEU A 31 7.156 -6.776 2.465 1.00 0.57 C ATOM 488 CD2 LEU A 31 8.410 -6.684 4.643 1.00 0.51 C ATOM 0 H LEU A 31 8.697 -10.741 2.917 1.00 0.42 H new ATOM 0 HA LEU A 31 8.520 -9.512 5.586 1.00 0.43 H new ATOM 0 HB2 LEU A 31 6.627 -9.197 3.189 1.00 0.51 H new ATOM 0 HB3 LEU A 31 6.472 -8.390 4.737 1.00 0.51 H new ATOM 0 HG LEU A 31 8.885 -7.919 2.949 1.00 0.48 H new ATOM 0 HD11 LEU A 31 7.736 -5.933 2.089 1.00 0.57 H new ATOM 0 HD12 LEU A 31 6.878 -7.424 1.634 1.00 0.57 H new ATOM 0 HD13 LEU A 31 6.255 -6.407 2.955 1.00 0.57 H new ATOM 0 HD21 LEU A 31 8.980 -5.831 4.274 1.00 0.51 H new ATOM 0 HD22 LEU A 31 7.521 -6.328 5.164 1.00 0.51 H new ATOM 0 HD23 LEU A 31 9.026 -7.263 5.331 1.00 0.51 H new ATOM 500 N LYS A 32 7.431 -12.227 4.469 1.00 0.64 N ATOM 501 CA LYS A 32 6.540 -13.376 4.489 1.00 0.57 C ATOM 502 C LYS A 32 6.808 -14.233 5.722 1.00 0.55 C ATOM 503 O LYS A 32 7.922 -14.711 5.923 1.00 0.83 O ATOM 504 CB LYS A 32 6.750 -14.148 3.215 1.00 0.73 C ATOM 505 CG LYS A 32 5.539 -14.996 2.798 1.00 0.95 C ATOM 506 CD LYS A 32 5.980 -15.426 1.408 1.00 1.93 C ATOM 507 CE LYS A 32 5.120 -16.423 0.636 1.00 2.32 C ATOM 508 NZ LYS A 32 5.871 -16.866 -0.557 1.00 3.66 N ATOM 0 H LYS A 32 8.323 -12.417 4.012 1.00 0.64 H new ATOM 0 HA LYS A 32 5.499 -13.057 4.548 1.00 0.57 H new ATOM 0 HB2 LYS A 32 6.986 -13.449 2.412 1.00 0.73 H new ATOM 0 HB3 LYS A 32 7.615 -14.800 3.335 1.00 0.73 H new ATOM 0 HG2 LYS A 32 5.375 -15.844 3.464 1.00 0.95 H new ATOM 0 HG3 LYS A 32 4.614 -14.420 2.782 1.00 0.95 H new ATOM 0 HD2 LYS A 32 6.070 -14.527 0.798 1.00 1.93 H new ATOM 0 HD3 LYS A 32 6.979 -15.852 1.497 1.00 1.93 H new ATOM 0 HE2 LYS A 32 4.872 -17.277 1.266 1.00 2.32 H new ATOM 0 HE3 LYS A 32 4.178 -15.961 0.340 1.00 2.32 H new ATOM 0 HZ1 LYS A 32 5.237 -17.396 -1.189 1.00 3.66 H new ATOM 0 HZ2 LYS A 32 6.246 -16.036 -1.059 1.00 3.66 H new ATOM 0 HZ3 LYS A 32 6.659 -17.478 -0.264 1.00 3.66 H new ATOM 522 N GLY A 33 5.769 -14.447 6.524 1.00 0.45 N ATOM 523 CA GLY A 33 5.891 -14.912 7.898 1.00 0.49 C ATOM 524 C GLY A 33 5.376 -13.829 8.842 1.00 0.46 C ATOM 525 O GLY A 33 4.718 -14.132 9.836 1.00 0.54 O ATOM 0 H GLY A 33 4.803 -14.299 6.230 1.00 0.45 H new ATOM 0 HA2 GLY A 33 5.322 -15.831 8.035 1.00 0.49 H new ATOM 0 HA3 GLY A 33 6.932 -15.144 8.125 1.00 0.49 H new ATOM 529 N GLU A 34 5.658 -12.568 8.517 1.00 0.41 N ATOM 530 CA GLU A 34 5.336 -11.412 9.330 1.00 0.41 C ATOM 531 C GLU A 34 3.982 -10.801 8.934 1.00 0.37 C ATOM 532 O GLU A 34 3.442 -11.082 7.867 1.00 0.45 O ATOM 533 CB GLU A 34 6.485 -10.398 9.186 1.00 0.48 C ATOM 534 CG GLU A 34 7.837 -10.929 9.696 1.00 1.04 C ATOM 535 CD GLU A 34 8.467 -12.000 8.813 1.00 3.26 C ATOM 536 OE1 GLU A 34 8.113 -12.031 7.612 1.00 4.57 O ATOM 537 OE2 GLU A 34 9.256 -12.794 9.367 1.00 4.19 O ATOM 0 H GLU A 34 6.134 -12.322 7.649 1.00 0.41 H new ATOM 0 HA GLU A 34 5.235 -11.708 10.374 1.00 0.41 H new ATOM 0 HB2 GLU A 34 6.585 -10.120 8.137 1.00 0.48 H new ATOM 0 HB3 GLU A 34 6.230 -9.491 9.733 1.00 0.48 H new ATOM 0 HG2 GLU A 34 8.532 -10.094 9.784 1.00 1.04 H new ATOM 0 HG3 GLU A 34 7.699 -11.336 10.698 1.00 1.04 H new ATOM 544 N VAL A 35 3.427 -9.952 9.806 1.00 0.32 N ATOM 545 CA VAL A 35 2.203 -9.194 9.557 1.00 0.31 C ATOM 546 C VAL A 35 2.584 -7.773 9.173 1.00 0.28 C ATOM 547 O VAL A 35 2.848 -6.942 10.037 1.00 0.52 O ATOM 548 CB VAL A 35 1.269 -9.256 10.774 1.00 0.38 C ATOM 549 CG1 VAL A 35 1.879 -8.873 12.132 1.00 0.44 C ATOM 550 CG2 VAL A 35 -0.002 -8.439 10.515 1.00 0.43 C ATOM 0 H VAL A 35 3.829 -9.771 10.726 1.00 0.32 H new ATOM 0 HA VAL A 35 1.644 -9.631 8.730 1.00 0.31 H new ATOM 0 HB VAL A 35 1.042 -10.317 10.875 1.00 0.38 H new ATOM 0 HG11 VAL A 35 1.119 -8.957 12.909 1.00 0.44 H new ATOM 0 HG12 VAL A 35 2.708 -9.543 12.361 1.00 0.44 H new ATOM 0 HG13 VAL A 35 2.243 -7.847 12.091 1.00 0.44 H new ATOM 0 HG21 VAL A 35 -0.653 -8.493 11.387 1.00 0.43 H new ATOM 0 HG22 VAL A 35 0.266 -7.399 10.326 1.00 0.43 H new ATOM 0 HG23 VAL A 35 -0.523 -8.843 9.647 1.00 0.43 H new ATOM 560 N TRP A 36 2.643 -7.498 7.876 1.00 0.39 N ATOM 561 CA TRP A 36 3.198 -6.256 7.376 1.00 0.32 C ATOM 562 C TRP A 36 2.102 -5.426 6.728 1.00 0.31 C ATOM 563 O TRP A 36 1.234 -5.942 6.024 1.00 0.45 O ATOM 564 CB TRP A 36 4.360 -6.578 6.442 1.00 0.31 C ATOM 565 CG TRP A 36 4.027 -7.412 5.253 1.00 0.29 C ATOM 566 CD1 TRP A 36 3.933 -8.757 5.187 1.00 0.33 C ATOM 567 CD2 TRP A 36 3.746 -6.926 3.923 1.00 0.31 C ATOM 568 NE1 TRP A 36 3.696 -9.135 3.880 1.00 0.40 N ATOM 569 CE2 TRP A 36 3.534 -8.034 3.056 1.00 0.37 C ATOM 570 CE3 TRP A 36 3.641 -5.634 3.384 1.00 0.34 C ATOM 571 CZ2 TRP A 36 3.220 -7.853 1.699 1.00 0.43 C ATOM 572 CZ3 TRP A 36 3.330 -5.445 2.031 1.00 0.40 C ATOM 573 CH2 TRP A 36 3.147 -6.545 1.186 1.00 0.44 C ATOM 0 H TRP A 36 2.308 -8.129 7.148 1.00 0.39 H new ATOM 0 HA TRP A 36 3.598 -5.646 8.186 1.00 0.32 H new ATOM 0 HB2 TRP A 36 4.792 -5.640 6.094 1.00 0.31 H new ATOM 0 HB3 TRP A 36 5.132 -7.090 7.017 1.00 0.31 H new ATOM 0 HD1 TRP A 36 4.028 -9.432 6.025 1.00 0.33 H new ATOM 0 HE1 TRP A 36 3.647 -10.103 3.562 1.00 0.40 H new ATOM 0 HE3 TRP A 36 3.802 -4.776 4.020 1.00 0.34 H new ATOM 0 HZ2 TRP A 36 3.038 -8.704 1.060 1.00 0.43 H new ATOM 0 HZ3 TRP A 36 3.231 -4.444 1.638 1.00 0.40 H new ATOM 0 HH2 TRP A 36 2.949 -6.389 0.136 1.00 0.44 H new ATOM 584 N LEU A 37 2.109 -4.124 7.009 1.00 0.36 N ATOM 585 CA LEU A 37 1.123 -3.232 6.449 1.00 0.35 C ATOM 586 C LEU A 37 1.550 -2.904 5.022 1.00 0.33 C ATOM 587 O LEU A 37 2.709 -2.575 4.786 1.00 0.47 O ATOM 588 CB LEU A 37 0.984 -1.970 7.305 1.00 0.40 C ATOM 589 CG LEU A 37 0.832 -2.188 8.824 1.00 0.49 C ATOM 590 CD1 LEU A 37 0.351 -0.868 9.439 1.00 0.69 C ATOM 591 CD2 LEU A 37 -0.198 -3.272 9.159 1.00 0.71 C ATOM 0 H LEU A 37 2.790 -3.674 7.621 1.00 0.36 H new ATOM 0 HA LEU A 37 0.141 -3.706 6.436 1.00 0.35 H new ATOM 0 HB2 LEU A 37 1.860 -1.343 7.135 1.00 0.40 H new ATOM 0 HB3 LEU A 37 0.118 -1.410 6.951 1.00 0.40 H new ATOM 0 HG LEU A 37 1.795 -2.508 9.221 1.00 0.49 H new ATOM 0 HD11 LEU A 37 0.233 -0.990 10.516 1.00 0.69 H new ATOM 0 HD12 LEU A 37 1.083 -0.086 9.240 1.00 0.69 H new ATOM 0 HD13 LEU A 37 -0.606 -0.589 8.999 1.00 0.69 H new ATOM 0 HD21 LEU A 37 -0.267 -3.386 10.241 1.00 0.71 H new ATOM 0 HD22 LEU A 37 -1.171 -2.984 8.762 1.00 0.71 H new ATOM 0 HD23 LEU A 37 0.111 -4.217 8.713 1.00 0.71 H new ATOM 603 N ALA A 38 0.619 -2.998 4.080 1.00 0.53 N ATOM 604 CA ALA A 38 0.746 -2.438 2.751 1.00 0.48 C ATOM 605 C ALA A 38 -0.195 -1.251 2.686 1.00 0.57 C ATOM 606 O ALA A 38 -1.308 -1.294 3.217 1.00 0.95 O ATOM 607 CB ALA A 38 0.338 -3.467 1.693 1.00 0.54 C ATOM 0 H ALA A 38 -0.267 -3.480 4.229 1.00 0.53 H new ATOM 0 HA ALA A 38 1.778 -2.146 2.556 1.00 0.48 H new ATOM 0 HB1 ALA A 38 0.440 -3.028 0.700 1.00 0.54 H new ATOM 0 HB2 ALA A 38 0.982 -4.343 1.770 1.00 0.54 H new ATOM 0 HB3 ALA A 38 -0.699 -3.763 1.854 1.00 0.54 H new ATOM 613 N ASP A 39 0.237 -0.215 1.986 1.00 0.47 N ATOM 614 CA ASP A 39 -0.655 0.735 1.363 1.00 0.65 C ATOM 615 C ASP A 39 -0.126 1.000 -0.041 1.00 0.81 C ATOM 616 O ASP A 39 0.846 0.387 -0.496 1.00 1.63 O ATOM 617 CB ASP A 39 -0.847 1.991 2.220 1.00 0.95 C ATOM 618 CG ASP A 39 0.446 2.753 2.439 1.00 1.92 C ATOM 619 OD1 ASP A 39 1.035 3.203 1.433 1.00 3.38 O ATOM 620 OD2 ASP A 39 0.840 2.887 3.614 1.00 2.66 O ATOM 0 H ASP A 39 1.225 -0.013 1.836 1.00 0.47 H new ATOM 0 HA ASP A 39 -1.664 0.331 1.280 1.00 0.65 H new ATOM 0 HB2 ASP A 39 -1.573 2.646 1.739 1.00 0.95 H new ATOM 0 HB3 ASP A 39 -1.264 1.707 3.186 1.00 0.95 H new ATOM 625 N PHE A 40 -0.850 1.833 -0.772 1.00 0.57 N ATOM 626 CA PHE A 40 -0.530 2.197 -2.127 1.00 0.63 C ATOM 627 C PHE A 40 -1.067 3.613 -2.285 1.00 0.61 C ATOM 628 O PHE A 40 -2.203 3.867 -1.892 1.00 0.80 O ATOM 629 CB PHE A 40 -1.098 1.158 -3.113 1.00 0.84 C ATOM 630 CG PHE A 40 -2.602 0.890 -3.091 1.00 0.84 C ATOM 631 CD1 PHE A 40 -3.232 0.343 -1.954 1.00 1.78 C ATOM 632 CD2 PHE A 40 -3.354 1.050 -4.271 1.00 2.23 C ATOM 633 CE1 PHE A 40 -4.605 0.043 -1.972 1.00 1.89 C ATOM 634 CE2 PHE A 40 -4.721 0.722 -4.298 1.00 2.40 C ATOM 635 CZ PHE A 40 -5.352 0.229 -3.146 1.00 1.36 C ATOM 0 H PHE A 40 -1.697 2.282 -0.422 1.00 0.57 H new ATOM 0 HA PHE A 40 0.537 2.194 -2.351 1.00 0.63 H new ATOM 0 HB2 PHE A 40 -0.831 1.475 -4.121 1.00 0.84 H new ATOM 0 HB3 PHE A 40 -0.588 0.212 -2.930 1.00 0.84 H new ATOM 0 HD1 PHE A 40 -2.654 0.153 -1.062 1.00 1.78 H new ATOM 0 HD2 PHE A 40 -2.876 1.428 -5.163 1.00 2.23 H new ATOM 0 HE1 PHE A 40 -5.086 -0.331 -1.081 1.00 1.89 H new ATOM 0 HE2 PHE A 40 -5.287 0.850 -5.209 1.00 2.40 H new ATOM 0 HZ PHE A 40 -6.406 -0.006 -3.162 1.00 1.36 H new ATOM 645 N ILE A 41 -0.228 4.547 -2.739 1.00 0.54 N ATOM 646 CA ILE A 41 -0.595 5.947 -2.904 1.00 0.62 C ATOM 647 C ILE A 41 0.071 6.493 -4.167 1.00 0.53 C ATOM 648 O ILE A 41 1.136 6.017 -4.571 1.00 0.55 O ATOM 649 CB ILE A 41 -0.247 6.778 -1.648 1.00 0.85 C ATOM 650 CG1 ILE A 41 1.247 6.776 -1.266 1.00 1.05 C ATOM 651 CG2 ILE A 41 -1.067 6.313 -0.436 1.00 1.14 C ATOM 652 CD1 ILE A 41 2.021 7.943 -1.887 1.00 1.62 C ATOM 0 H ILE A 41 0.736 4.345 -3.004 1.00 0.54 H new ATOM 0 HA ILE A 41 -1.676 6.026 -3.022 1.00 0.62 H new ATOM 0 HB ILE A 41 -0.502 7.802 -1.921 1.00 0.85 H new ATOM 0 HG12 ILE A 41 1.340 6.821 -0.181 1.00 1.05 H new ATOM 0 HG13 ILE A 41 1.698 5.836 -1.586 1.00 1.05 H new ATOM 0 HG21 ILE A 41 -0.803 6.914 0.434 1.00 1.14 H new ATOM 0 HG22 ILE A 41 -2.130 6.430 -0.649 1.00 1.14 H new ATOM 0 HG23 ILE A 41 -0.851 5.264 -0.232 1.00 1.14 H new ATOM 0 HD11 ILE A 41 3.066 7.889 -1.583 1.00 1.62 H new ATOM 0 HD12 ILE A 41 1.956 7.886 -2.974 1.00 1.62 H new ATOM 0 HD13 ILE A 41 1.592 8.886 -1.547 1.00 1.62 H new ATOM 664 N PHE A 42 -0.578 7.479 -4.791 1.00 0.58 N ATOM 665 CA PHE A 42 0.005 8.347 -5.808 1.00 0.60 C ATOM 666 C PHE A 42 0.420 9.645 -5.118 1.00 0.70 C ATOM 667 O PHE A 42 0.110 9.845 -3.944 1.00 1.32 O ATOM 668 CB PHE A 42 -0.999 8.599 -6.950 1.00 0.70 C ATOM 669 CG PHE A 42 -2.459 8.773 -6.550 1.00 0.77 C ATOM 670 CD1 PHE A 42 -2.849 9.736 -5.596 1.00 2.18 C ATOM 671 CD2 PHE A 42 -3.449 8.001 -7.190 1.00 1.71 C ATOM 672 CE1 PHE A 42 -4.199 9.843 -5.209 1.00 2.22 C ATOM 673 CE2 PHE A 42 -4.793 8.103 -6.796 1.00 1.77 C ATOM 674 CZ PHE A 42 -5.160 8.988 -5.772 1.00 0.98 C ATOM 0 H PHE A 42 -1.554 7.699 -4.594 1.00 0.58 H new ATOM 0 HA PHE A 42 0.877 7.879 -6.265 1.00 0.60 H new ATOM 0 HB2 PHE A 42 -0.685 9.493 -7.489 1.00 0.70 H new ATOM 0 HB3 PHE A 42 -0.935 7.766 -7.650 1.00 0.70 H new ATOM 0 HD1 PHE A 42 -2.110 10.393 -5.161 1.00 2.18 H new ATOM 0 HD2 PHE A 42 -3.173 7.327 -7.988 1.00 1.71 H new ATOM 0 HE1 PHE A 42 -4.495 10.582 -4.480 1.00 2.22 H new ATOM 0 HE2 PHE A 42 -5.545 7.499 -7.282 1.00 1.77 H new ATOM 0 HZ PHE A 42 -6.180 9.012 -5.417 1.00 0.98 H new ATOM 684 N THR A 43 1.113 10.527 -5.833 1.00 0.72 N ATOM 685 CA THR A 43 1.640 11.765 -5.283 1.00 0.80 C ATOM 686 C THR A 43 1.294 12.963 -6.163 1.00 1.00 C ATOM 687 O THR A 43 0.823 13.980 -5.653 1.00 2.19 O ATOM 688 CB THR A 43 3.145 11.611 -5.020 1.00 1.01 C ATOM 689 OG1 THR A 43 3.884 11.238 -6.165 1.00 2.03 O ATOM 690 CG2 THR A 43 3.356 10.537 -3.952 1.00 1.74 C ATOM 0 H THR A 43 1.325 10.397 -6.822 1.00 0.72 H new ATOM 0 HA THR A 43 1.162 11.969 -4.325 1.00 0.80 H new ATOM 0 HB THR A 43 3.505 12.589 -4.700 1.00 1.01 H new ATOM 0 HG1 THR A 43 3.280 11.158 -6.933 1.00 2.03 H new ATOM 0 HG21 THR A 43 4.422 10.421 -3.759 1.00 1.74 H new ATOM 0 HG22 THR A 43 2.851 10.834 -3.033 1.00 1.74 H new ATOM 0 HG23 THR A 43 2.945 9.590 -4.302 1.00 1.74 H new ATOM 771 N CYS A 49 -3.900 17.967 -0.402 1.00 1.34 N ATOM 772 CA CYS A 49 -5.075 18.595 0.179 1.00 1.43 C ATOM 773 C CYS A 49 -5.698 17.617 1.183 1.00 1.29 C ATOM 774 O CYS A 49 -5.759 17.945 2.366 1.00 1.35 O ATOM 775 CB CYS A 49 -6.065 19.061 -0.898 1.00 1.84 C ATOM 776 SG CYS A 49 -7.641 19.444 -0.098 1.00 1.99 S ATOM 0 HA CYS A 49 -4.787 19.503 0.709 1.00 1.43 H new ATOM 0 HB2 CYS A 49 -5.678 19.940 -1.414 1.00 1.84 H new ATOM 0 HB3 CYS A 49 -6.201 18.284 -1.650 1.00 1.84 H new ATOM 0 HG CYS A 49 -8.496 19.843 -0.992 1.00 1.99 H new ATOM 782 N PRO A 50 -6.100 16.395 0.779 1.00 1.24 N ATOM 783 CA PRO A 50 -6.509 15.391 1.746 1.00 1.19 C ATOM 784 C PRO A 50 -5.289 14.924 2.559 1.00 1.06 C ATOM 785 O PRO A 50 -4.172 14.914 2.035 1.00 1.05 O ATOM 786 CB PRO A 50 -7.110 14.247 0.923 1.00 1.33 C ATOM 787 CG PRO A 50 -6.356 14.345 -0.401 1.00 1.39 C ATOM 788 CD PRO A 50 -6.170 15.852 -0.573 1.00 1.36 C ATOM 0 HA PRO A 50 -7.235 15.773 2.464 1.00 1.19 H new ATOM 0 HB2 PRO A 50 -6.958 13.281 1.404 1.00 1.33 H new ATOM 0 HB3 PRO A 50 -8.184 14.369 0.786 1.00 1.33 H new ATOM 0 HG2 PRO A 50 -5.401 13.821 -0.362 1.00 1.39 H new ATOM 0 HG3 PRO A 50 -6.925 13.911 -1.224 1.00 1.39 H new ATOM 0 HD2 PRO A 50 -5.261 16.074 -1.132 1.00 1.36 H new ATOM 0 HD3 PRO A 50 -7.000 16.289 -1.128 1.00 1.36 H new ATOM 796 N PRO A 51 -5.484 14.523 3.825 1.00 1.08 N ATOM 797 CA PRO A 51 -4.430 14.001 4.684 1.00 1.09 C ATOM 798 C PRO A 51 -4.043 12.593 4.222 1.00 0.95 C ATOM 799 O PRO A 51 -4.523 11.596 4.762 1.00 1.12 O ATOM 800 CB PRO A 51 -5.026 14.036 6.093 1.00 1.31 C ATOM 801 CG PRO A 51 -6.522 13.837 5.856 1.00 1.31 C ATOM 802 CD PRO A 51 -6.755 14.563 4.534 1.00 1.20 C ATOM 0 HA PRO A 51 -3.506 14.579 4.653 1.00 1.09 H new ATOM 0 HB2 PRO A 51 -4.612 13.249 6.723 1.00 1.31 H new ATOM 0 HB3 PRO A 51 -4.822 14.984 6.591 1.00 1.31 H new ATOM 0 HG2 PRO A 51 -6.784 12.781 5.789 1.00 1.31 H new ATOM 0 HG3 PRO A 51 -7.119 14.263 6.662 1.00 1.31 H new ATOM 0 HD2 PRO A 51 -7.540 14.077 3.955 1.00 1.20 H new ATOM 0 HD3 PRO A 51 -7.075 15.591 4.704 1.00 1.20 H new ATOM 810 N MET A 52 -3.191 12.517 3.198 1.00 0.83 N ATOM 811 CA MET A 52 -2.903 11.275 2.498 1.00 0.73 C ATOM 812 C MET A 52 -2.023 10.359 3.353 1.00 0.65 C ATOM 813 O MET A 52 -2.530 9.442 3.998 1.00 0.86 O ATOM 814 CB MET A 52 -2.324 11.581 1.109 1.00 0.77 C ATOM 815 CG MET A 52 -2.344 10.338 0.210 1.00 1.44 C ATOM 816 SD MET A 52 -1.702 10.567 -1.468 1.00 2.01 S ATOM 817 CE MET A 52 -2.841 11.804 -2.133 1.00 1.86 C ATOM 0 H MET A 52 -2.682 13.322 2.833 1.00 0.83 H new ATOM 0 HA MET A 52 -3.825 10.718 2.333 1.00 0.73 H new ATOM 0 HB2 MET A 52 -2.899 12.380 0.641 1.00 0.77 H new ATOM 0 HB3 MET A 52 -1.301 11.942 1.211 1.00 0.77 H new ATOM 0 HG2 MET A 52 -1.765 9.552 0.696 1.00 1.44 H new ATOM 0 HG3 MET A 52 -3.371 9.980 0.140 1.00 1.44 H new ATOM 0 HE1 MET A 52 -2.690 11.896 -3.209 1.00 1.86 H new ATOM 0 HE2 MET A 52 -3.868 11.496 -1.936 1.00 1.86 H new ATOM 0 HE3 MET A 52 -2.652 12.766 -1.656 1.00 1.86 H new ATOM 827 N THR A 53 -0.710 10.604 3.424 1.00 0.60 N ATOM 828 CA THR A 53 0.216 9.743 4.154 1.00 0.55 C ATOM 829 C THR A 53 0.222 10.166 5.629 1.00 0.57 C ATOM 830 O THR A 53 1.272 10.312 6.252 1.00 1.01 O ATOM 831 CB THR A 53 1.573 9.790 3.430 1.00 0.71 C ATOM 832 OG1 THR A 53 1.346 9.677 2.038 1.00 1.03 O ATOM 833 CG2 THR A 53 2.525 8.673 3.845 1.00 0.99 C ATOM 0 H THR A 53 -0.264 11.405 2.976 1.00 0.60 H new ATOM 0 HA THR A 53 -0.079 8.694 4.165 1.00 0.55 H new ATOM 0 HB THR A 53 2.042 10.736 3.701 1.00 0.71 H new ATOM 0 HG1 THR A 53 2.171 9.389 1.594 1.00 1.03 H new ATOM 0 HG21 THR A 53 3.461 8.769 3.294 1.00 0.99 H new ATOM 0 HG22 THR A 53 2.724 8.743 4.914 1.00 0.99 H new ATOM 0 HG23 THR A 53 2.071 7.707 3.623 1.00 0.99 H new ATOM 841 N ALA A 54 -0.979 10.381 6.176 1.00 0.66 N ATOM 842 CA ALA A 54 -1.243 10.903 7.508 1.00 0.67 C ATOM 843 C ALA A 54 -1.576 9.741 8.441 1.00 0.65 C ATOM 844 O ALA A 54 -0.984 9.574 9.501 1.00 0.73 O ATOM 845 CB ALA A 54 -2.412 11.887 7.437 1.00 0.85 C ATOM 0 H ALA A 54 -1.839 10.181 5.665 1.00 0.66 H new ATOM 0 HA ALA A 54 -0.366 11.425 7.892 1.00 0.67 H new ATOM 0 HB1 ALA A 54 -2.616 12.282 8.432 1.00 0.85 H new ATOM 0 HB2 ALA A 54 -2.157 12.707 6.766 1.00 0.85 H new ATOM 0 HB3 ALA A 54 -3.298 11.374 7.062 1.00 0.85 H new ATOM 851 N HIS A 55 -2.526 8.905 8.028 1.00 0.66 N ATOM 852 CA HIS A 55 -2.918 7.735 8.798 1.00 0.66 C ATOM 853 C HIS A 55 -1.722 6.786 8.886 1.00 0.59 C ATOM 854 O HIS A 55 -1.298 6.399 9.969 1.00 0.57 O ATOM 855 CB HIS A 55 -4.162 7.114 8.156 1.00 0.71 C ATOM 856 CG HIS A 55 -5.233 8.150 7.920 1.00 0.80 C ATOM 857 ND1 HIS A 55 -5.544 8.737 6.711 1.00 0.94 N ATOM 858 CD2 HIS A 55 -5.857 8.871 8.904 1.00 0.91 C ATOM 859 CE1 HIS A 55 -6.363 9.771 6.968 1.00 1.06 C ATOM 860 NE2 HIS A 55 -6.583 9.891 8.286 1.00 0.98 N ATOM 0 H HIS A 55 -3.041 9.021 7.155 1.00 0.66 H new ATOM 0 HA HIS A 55 -3.193 7.990 9.822 1.00 0.66 H new ATOM 0 HB2 HIS A 55 -3.890 6.647 7.209 1.00 0.71 H new ATOM 0 HB3 HIS A 55 -4.551 6.326 8.800 1.00 0.71 H new ATOM 0 HD2 HIS A 55 -5.798 8.684 9.966 1.00 0.91 H new ATOM 0 HE1 HIS A 55 -6.787 10.418 6.215 1.00 1.06 H new ATOM 0 HE2 HIS A 55 -7.166 10.590 8.746 1.00 0.98 H new ATOM 868 N MET A 56 -1.129 6.482 7.731 1.00 0.58 N ATOM 869 CA MET A 56 0.186 5.873 7.605 1.00 0.51 C ATOM 870 C MET A 56 1.193 6.382 8.651 1.00 0.54 C ATOM 871 O MET A 56 1.796 5.584 9.367 1.00 0.63 O ATOM 872 CB MET A 56 0.711 6.058 6.175 1.00 0.54 C ATOM 873 CG MET A 56 -0.126 5.408 5.063 1.00 0.69 C ATOM 874 SD MET A 56 -1.562 6.316 4.429 1.00 1.52 S ATOM 875 CE MET A 56 -2.214 5.107 3.261 1.00 2.19 C ATOM 0 H MET A 56 -1.570 6.661 6.829 1.00 0.58 H new ATOM 0 HA MET A 56 0.073 4.808 7.807 1.00 0.51 H new ATOM 0 HB2 MET A 56 0.784 7.126 5.971 1.00 0.54 H new ATOM 0 HB3 MET A 56 1.722 5.654 6.125 1.00 0.54 H new ATOM 0 HG2 MET A 56 0.537 5.205 4.222 1.00 0.69 H new ATOM 0 HG3 MET A 56 -0.478 4.444 5.431 1.00 0.69 H new ATOM 0 HE1 MET A 56 -3.115 5.503 2.793 1.00 2.19 H new ATOM 0 HE2 MET A 56 -1.467 4.902 2.494 1.00 2.19 H new ATOM 0 HE3 MET A 56 -2.454 4.184 3.789 1.00 2.19 H new ATOM 885 N THR A 57 1.383 7.701 8.766 1.00 0.53 N ATOM 886 CA THR A 57 2.354 8.241 9.711 1.00 0.58 C ATOM 887 C THR A 57 1.895 8.022 11.144 1.00 0.64 C ATOM 888 O THR A 57 2.695 7.611 11.985 1.00 0.71 O ATOM 889 CB THR A 57 2.672 9.717 9.451 1.00 0.62 C ATOM 890 OG1 THR A 57 1.561 10.438 8.987 1.00 1.79 O ATOM 891 CG2 THR A 57 3.764 9.834 8.400 1.00 1.52 C ATOM 0 H THR A 57 0.882 8.403 8.222 1.00 0.53 H new ATOM 0 HA THR A 57 3.283 7.692 9.558 1.00 0.58 H new ATOM 0 HB THR A 57 2.987 10.135 10.407 1.00 0.62 H new ATOM 0 HG1 THR A 57 1.506 10.362 8.012 1.00 1.79 H new ATOM 0 HG21 THR A 57 3.985 10.886 8.220 1.00 1.52 H new ATOM 0 HG22 THR A 57 4.664 9.329 8.752 1.00 1.52 H new ATOM 0 HG23 THR A 57 3.428 9.370 7.473 1.00 1.52 H new ATOM 899 N ASP A 58 0.614 8.262 11.433 1.00 0.65 N ATOM 900 CA ASP A 58 0.083 7.975 12.753 1.00 0.74 C ATOM 901 C ASP A 58 0.401 6.534 13.155 1.00 0.70 C ATOM 902 O ASP A 58 0.876 6.290 14.266 1.00 0.80 O ATOM 903 CB ASP A 58 -1.410 8.253 12.858 1.00 0.85 C ATOM 904 CG ASP A 58 -1.887 7.895 14.258 1.00 1.82 C ATOM 905 OD1 ASP A 58 -1.395 8.549 15.206 1.00 2.10 O ATOM 906 OD2 ASP A 58 -2.643 6.912 14.378 1.00 3.29 O ATOM 0 H ASP A 58 -0.062 8.650 10.775 1.00 0.65 H new ATOM 0 HA ASP A 58 0.574 8.653 13.450 1.00 0.74 H new ATOM 0 HB2 ASP A 58 -1.612 9.304 12.649 1.00 0.85 H new ATOM 0 HB3 ASP A 58 -1.954 7.670 12.115 1.00 0.85 H new ATOM 911 N LEU A 59 0.187 5.600 12.227 1.00 0.62 N ATOM 912 CA LEU A 59 0.455 4.185 12.430 1.00 0.63 C ATOM 913 C LEU A 59 1.954 3.885 12.507 1.00 0.66 C ATOM 914 O LEU A 59 2.323 2.952 13.211 1.00 0.74 O ATOM 915 CB LEU A 59 -0.236 3.313 11.369 1.00 0.56 C ATOM 916 CG LEU A 59 -1.642 2.858 11.786 1.00 0.76 C ATOM 917 CD1 LEU A 59 -2.637 3.986 11.557 1.00 1.12 C ATOM 918 CD2 LEU A 59 -2.067 1.621 10.985 1.00 0.95 C ATOM 0 H LEU A 59 -0.183 5.814 11.301 1.00 0.62 H new ATOM 0 HA LEU A 59 0.026 3.925 13.398 1.00 0.63 H new ATOM 0 HB2 LEU A 59 -0.303 3.872 10.436 1.00 0.56 H new ATOM 0 HB3 LEU A 59 0.380 2.436 11.171 1.00 0.56 H new ATOM 0 HG LEU A 59 -1.625 2.599 12.845 1.00 0.76 H new ATOM 0 HD11 LEU A 59 -3.633 3.658 11.854 1.00 1.12 H new ATOM 0 HD12 LEU A 59 -2.348 4.853 12.151 1.00 1.12 H new ATOM 0 HD13 LEU A 59 -2.644 4.256 10.501 1.00 1.12 H new ATOM 0 HD21 LEU A 59 -3.066 1.313 11.294 1.00 0.95 H new ATOM 0 HD22 LEU A 59 -2.074 1.861 9.922 1.00 0.95 H new ATOM 0 HD23 LEU A 59 -1.364 0.809 11.169 1.00 0.95 H new ATOM 930 N GLN A 60 2.825 4.652 11.839 1.00 0.65 N ATOM 931 CA GLN A 60 4.282 4.485 11.899 1.00 0.67 C ATOM 932 C GLN A 60 4.769 4.440 13.356 1.00 0.71 C ATOM 933 O GLN A 60 5.701 3.714 13.700 1.00 0.68 O ATOM 934 CB GLN A 60 4.967 5.598 11.090 1.00 0.75 C ATOM 935 CG GLN A 60 6.362 5.233 10.557 1.00 0.81 C ATOM 936 CD GLN A 60 7.507 5.323 11.564 1.00 1.67 C ATOM 937 OE1 GLN A 60 7.379 5.907 12.635 1.00 3.03 O ATOM 938 NE2 GLN A 60 8.659 4.776 11.184 1.00 1.82 N ATOM 0 H GLN A 60 2.532 5.418 11.232 1.00 0.65 H new ATOM 0 HA GLN A 60 4.554 3.530 11.449 1.00 0.67 H new ATOM 0 HB2 GLN A 60 4.328 5.863 10.248 1.00 0.75 H new ATOM 0 HB3 GLN A 60 5.052 6.485 11.717 1.00 0.75 H new ATOM 0 HG2 GLN A 60 6.326 4.216 10.168 1.00 0.81 H new ATOM 0 HG3 GLN A 60 6.591 5.888 9.716 1.00 0.81 H new ATOM 0 HE21 GLN A 60 8.725 4.299 10.285 1.00 1.82 H new ATOM 0 HE22 GLN A 60 9.476 4.834 11.792 1.00 1.82 H new ATOM 947 N LYS A 61 4.086 5.191 14.224 1.00 0.85 N ATOM 948 CA LYS A 61 4.268 5.159 15.664 1.00 1.01 C ATOM 949 C LYS A 61 4.002 3.743 16.195 1.00 0.96 C ATOM 950 O LYS A 61 4.936 3.065 16.618 1.00 0.98 O ATOM 951 CB LYS A 61 3.318 6.202 16.260 1.00 1.20 C ATOM 952 CG LYS A 61 3.413 6.425 17.766 1.00 1.38 C ATOM 953 CD LYS A 61 2.585 7.657 18.180 1.00 1.50 C ATOM 954 CE LYS A 61 1.087 7.609 17.807 1.00 3.06 C ATOM 955 NZ LYS A 61 0.798 7.961 16.396 1.00 3.64 N ATOM 0 H LYS A 61 3.371 5.856 13.928 1.00 0.85 H new ATOM 0 HA LYS A 61 5.291 5.403 15.950 1.00 1.01 H new ATOM 0 HB2 LYS A 61 3.500 7.154 15.762 1.00 1.20 H new ATOM 0 HB3 LYS A 61 2.296 5.908 16.022 1.00 1.20 H new ATOM 0 HG2 LYS A 61 3.052 5.542 18.294 1.00 1.38 H new ATOM 0 HG3 LYS A 61 4.455 6.565 18.054 1.00 1.38 H new ATOM 0 HD2 LYS A 61 2.669 7.783 19.259 1.00 1.50 H new ATOM 0 HD3 LYS A 61 3.027 8.541 17.721 1.00 1.50 H new ATOM 0 HE2 LYS A 61 0.707 6.606 18.004 1.00 3.06 H new ATOM 0 HE3 LYS A 61 0.540 8.291 18.459 1.00 3.06 H new ATOM 0 HZ1 LYS A 61 -0.145 8.395 16.333 1.00 3.64 H new ATOM 0 HZ2 LYS A 61 1.512 8.634 16.053 1.00 3.64 H new ATOM 0 HZ3 LYS A 61 0.824 7.101 15.811 1.00 3.64 H new ATOM 969 N LYS A 62 2.735 3.301 16.170 1.00 0.98 N ATOM 970 CA LYS A 62 2.311 1.963 16.534 1.00 0.98 C ATOM 971 C LYS A 62 3.260 0.900 15.995 1.00 0.83 C ATOM 972 O LYS A 62 3.662 0.020 16.746 1.00 0.85 O ATOM 973 CB LYS A 62 0.879 1.736 16.012 1.00 1.02 C ATOM 974 CG LYS A 62 -0.133 1.654 17.154 1.00 1.48 C ATOM 975 CD LYS A 62 0.095 0.404 18.013 1.00 2.55 C ATOM 976 CE LYS A 62 -0.465 -0.867 17.346 1.00 3.34 C ATOM 977 NZ LYS A 62 -0.128 -2.104 18.083 1.00 4.76 N ATOM 0 H LYS A 62 1.958 3.897 15.884 1.00 0.98 H new ATOM 0 HA LYS A 62 2.327 1.874 17.620 1.00 0.98 H new ATOM 0 HB2 LYS A 62 0.604 2.549 15.340 1.00 1.02 H new ATOM 0 HB3 LYS A 62 0.846 0.815 15.430 1.00 1.02 H new ATOM 0 HG2 LYS A 62 -0.054 2.545 17.777 1.00 1.48 H new ATOM 0 HG3 LYS A 62 -1.144 1.638 16.746 1.00 1.48 H new ATOM 0 HD2 LYS A 62 1.163 0.278 18.193 1.00 2.55 H new ATOM 0 HD3 LYS A 62 -0.378 0.541 18.985 1.00 2.55 H new ATOM 0 HE2 LYS A 62 -1.549 -0.782 17.267 1.00 3.34 H new ATOM 0 HE3 LYS A 62 -0.076 -0.939 16.330 1.00 3.34 H new ATOM 0 HZ1 LYS A 62 -0.349 -2.931 17.493 1.00 4.76 H new ATOM 0 HZ2 LYS A 62 0.886 -2.105 18.314 1.00 4.76 H new ATOM 0 HZ3 LYS A 62 -0.683 -2.147 18.961 1.00 4.76 H new ATOM 991 N LEU A 63 3.613 1.008 14.713 1.00 0.74 N ATOM 992 CA LEU A 63 4.564 0.158 14.015 1.00 0.60 C ATOM 993 C LEU A 63 5.759 -0.198 14.893 1.00 0.71 C ATOM 994 O LEU A 63 6.179 -1.346 14.900 1.00 0.70 O ATOM 995 CB LEU A 63 5.035 0.836 12.730 1.00 0.58 C ATOM 996 CG LEU A 63 4.659 0.096 11.445 1.00 0.81 C ATOM 997 CD1 LEU A 63 5.124 -1.360 11.402 1.00 1.13 C ATOM 998 CD2 LEU A 63 3.160 0.179 11.153 1.00 1.17 C ATOM 0 H LEU A 63 3.220 1.729 14.108 1.00 0.74 H new ATOM 0 HA LEU A 63 4.052 -0.771 13.764 1.00 0.60 H new ATOM 0 HB2 LEU A 63 4.616 1.841 12.691 1.00 0.58 H new ATOM 0 HB3 LEU A 63 6.119 0.944 12.768 1.00 0.58 H new ATOM 0 HG LEU A 63 5.203 0.620 10.659 1.00 0.81 H new ATOM 0 HD11 LEU A 63 4.818 -1.812 10.459 1.00 1.13 H new ATOM 0 HD12 LEU A 63 6.210 -1.398 11.487 1.00 1.13 H new ATOM 0 HD13 LEU A 63 4.676 -1.910 12.230 1.00 1.13 H new ATOM 0 HD21 LEU A 63 2.938 -0.360 10.232 1.00 1.17 H new ATOM 0 HD22 LEU A 63 2.604 -0.267 11.977 1.00 1.17 H new ATOM 0 HD23 LEU A 63 2.868 1.223 11.041 1.00 1.17 H new ATOM 1010 N LYS A 64 6.310 0.750 15.655 1.00 0.89 N ATOM 1011 CA LYS A 64 7.491 0.456 16.465 1.00 0.99 C ATOM 1012 C LYS A 64 7.236 -0.661 17.493 1.00 1.05 C ATOM 1013 O LYS A 64 8.160 -1.388 17.848 1.00 1.14 O ATOM 1014 CB LYS A 64 8.064 1.733 17.104 1.00 1.05 C ATOM 1015 CG LYS A 64 9.230 2.301 16.278 1.00 1.17 C ATOM 1016 CD LYS A 64 8.818 2.756 14.866 1.00 1.89 C ATOM 1017 CE LYS A 64 9.775 2.219 13.796 1.00 1.95 C ATOM 1018 NZ LYS A 64 11.125 2.796 13.918 1.00 1.96 N ATOM 0 H LYS A 64 5.966 1.707 15.727 1.00 0.89 H new ATOM 0 HA LYS A 64 8.255 0.068 15.792 1.00 0.99 H new ATOM 0 HB2 LYS A 64 7.278 2.483 17.189 1.00 1.05 H new ATOM 0 HB3 LYS A 64 8.406 1.513 18.115 1.00 1.05 H new ATOM 0 HG2 LYS A 64 9.665 3.147 16.811 1.00 1.17 H new ATOM 0 HG3 LYS A 64 10.009 1.543 16.194 1.00 1.17 H new ATOM 0 HD2 LYS A 64 7.805 2.413 14.654 1.00 1.89 H new ATOM 0 HD3 LYS A 64 8.800 3.845 14.825 1.00 1.89 H new ATOM 0 HE2 LYS A 64 9.837 1.134 13.878 1.00 1.95 H new ATOM 0 HE3 LYS A 64 9.374 2.442 12.807 1.00 1.95 H new ATOM 0 HZ1 LYS A 64 11.751 2.367 13.207 1.00 1.96 H new ATOM 0 HZ2 LYS A 64 11.079 3.823 13.764 1.00 1.96 H new ATOM 0 HZ3 LYS A 64 11.499 2.605 14.869 1.00 1.96 H new ATOM 1032 N ALA A 65 6.000 -0.814 17.969 1.00 1.04 N ATOM 1033 CA ALA A 65 5.588 -1.941 18.803 1.00 1.11 C ATOM 1034 C ALA A 65 5.395 -3.235 18.009 1.00 1.01 C ATOM 1035 O ALA A 65 5.545 -4.324 18.560 1.00 1.19 O ATOM 1036 CB ALA A 65 4.323 -1.573 19.580 1.00 1.19 C ATOM 0 H ALA A 65 5.248 -0.150 17.783 1.00 1.04 H new ATOM 0 HA ALA A 65 6.398 -2.142 19.505 1.00 1.11 H new ATOM 0 HB1 ALA A 65 4.019 -2.416 20.201 1.00 1.19 H new ATOM 0 HB2 ALA A 65 4.524 -0.709 20.214 1.00 1.19 H new ATOM 0 HB3 ALA A 65 3.523 -1.331 18.880 1.00 1.19 H new ATOM 1042 N GLU A 66 5.072 -3.122 16.722 1.00 0.78 N ATOM 1043 CA GLU A 66 4.801 -4.239 15.841 1.00 0.72 C ATOM 1044 C GLU A 66 6.109 -4.640 15.151 1.00 0.61 C ATOM 1045 O GLU A 66 6.157 -5.678 14.499 1.00 0.58 O ATOM 1046 CB GLU A 66 3.741 -3.862 14.787 1.00 0.68 C ATOM 1047 CG GLU A 66 2.615 -2.921 15.240 1.00 0.78 C ATOM 1048 CD GLU A 66 1.814 -3.368 16.451 1.00 0.87 C ATOM 1049 OE1 GLU A 66 2.214 -3.045 17.590 1.00 1.55 O ATOM 1050 OE2 GLU A 66 0.650 -3.787 16.266 1.00 2.00 O ATOM 0 H GLU A 66 4.991 -2.218 16.256 1.00 0.78 H new ATOM 0 HA GLU A 66 4.410 -5.074 16.423 1.00 0.72 H new ATOM 0 HB2 GLU A 66 4.252 -3.398 13.943 1.00 0.68 H new ATOM 0 HB3 GLU A 66 3.287 -4.782 14.419 1.00 0.68 H new ATOM 0 HG2 GLU A 66 3.050 -1.946 15.458 1.00 0.78 H new ATOM 0 HG3 GLU A 66 1.927 -2.784 14.406 1.00 0.78 H new ATOM 1057 N ASN A 67 7.137 -3.780 15.256 1.00 0.64 N ATOM 1058 CA ASN A 67 8.302 -3.664 14.421 1.00 0.58 C ATOM 1059 C ASN A 67 8.815 -4.992 13.955 1.00 0.82 C ATOM 1060 O ASN A 67 9.092 -5.108 12.774 1.00 1.59 O ATOM 1061 CB ASN A 67 9.402 -2.927 15.189 1.00 1.03 C ATOM 1062 CG ASN A 67 10.502 -2.451 14.256 1.00 1.28 C ATOM 1063 OD1 ASN A 67 10.663 -1.250 14.052 1.00 2.02 O ATOM 1064 ND2 ASN A 67 11.270 -3.357 13.666 1.00 1.87 N ATOM 0 H ASN A 67 7.155 -3.090 16.007 1.00 0.64 H new ATOM 0 HA ASN A 67 8.013 -3.104 13.532 1.00 0.58 H new ATOM 0 HB2 ASN A 67 8.973 -2.074 15.714 1.00 1.03 H new ATOM 0 HB3 ASN A 67 9.825 -3.587 15.946 1.00 1.03 H new ATOM 0 HD21 ASN A 67 12.010 -3.062 13.030 1.00 1.87 H new ATOM 0 HD22 ASN A 67 11.120 -4.349 13.849 1.00 1.87 H new ATOM 1071 N ILE A 68 8.994 -5.917 14.904 1.00 0.64 N ATOM 1072 CA ILE A 68 9.810 -7.140 14.780 1.00 0.76 C ATOM 1073 C ILE A 68 10.698 -7.041 13.518 1.00 0.77 C ATOM 1074 O ILE A 68 11.678 -6.295 13.564 1.00 1.01 O ATOM 1075 CB ILE A 68 8.967 -8.429 14.935 1.00 1.00 C ATOM 1076 CG1 ILE A 68 8.446 -8.630 16.378 1.00 1.15 C ATOM 1077 CG2 ILE A 68 9.800 -9.697 14.650 1.00 1.13 C ATOM 1078 CD1 ILE A 68 7.354 -7.673 16.863 1.00 1.26 C ATOM 0 H ILE A 68 8.557 -5.834 15.822 1.00 0.64 H new ATOM 0 HA ILE A 68 10.503 -7.220 15.617 1.00 0.76 H new ATOM 0 HB ILE A 68 8.149 -8.299 14.226 1.00 1.00 H new ATOM 0 HG12 ILE A 68 8.066 -9.648 16.462 1.00 1.15 H new ATOM 0 HG13 ILE A 68 9.294 -8.549 17.058 1.00 1.15 H new ATOM 0 HG21 ILE A 68 9.172 -10.580 14.770 1.00 1.13 H new ATOM 0 HG22 ILE A 68 10.183 -9.659 13.630 1.00 1.13 H new ATOM 0 HG23 ILE A 68 10.635 -9.749 15.349 1.00 1.13 H new ATOM 0 HD11 ILE A 68 7.080 -7.923 17.888 1.00 1.26 H new ATOM 0 HD12 ILE A 68 7.725 -6.649 16.826 1.00 1.26 H new ATOM 0 HD13 ILE A 68 6.478 -7.765 16.221 1.00 1.26 H new ATOM 1090 N ASP A 69 10.281 -7.623 12.379 1.00 0.82 N ATOM 1091 CA ASP A 69 10.582 -7.086 11.048 1.00 0.83 C ATOM 1092 C ASP A 69 9.343 -7.131 10.146 1.00 0.76 C ATOM 1093 O ASP A 69 9.365 -7.597 9.008 1.00 1.06 O ATOM 1094 CB ASP A 69 11.789 -7.751 10.409 1.00 1.15 C ATOM 1095 CG ASP A 69 12.160 -7.072 9.088 1.00 1.27 C ATOM 1096 OD1 ASP A 69 11.943 -5.848 8.954 1.00 2.22 O ATOM 1097 OD2 ASP A 69 12.619 -7.777 8.164 1.00 1.78 O ATOM 0 H ASP A 69 9.726 -8.479 12.360 1.00 0.82 H new ATOM 0 HA ASP A 69 10.857 -6.039 11.175 1.00 0.83 H new ATOM 0 HB2 ASP A 69 12.636 -7.708 11.094 1.00 1.15 H new ATOM 0 HB3 ASP A 69 11.576 -8.805 10.232 1.00 1.15 H new ATOM 1102 N VAL A 70 8.249 -6.586 10.665 1.00 0.53 N ATOM 1103 CA VAL A 70 7.188 -6.052 9.840 1.00 0.46 C ATOM 1104 C VAL A 70 7.707 -4.698 9.344 1.00 0.42 C ATOM 1105 O VAL A 70 8.319 -3.943 10.103 1.00 0.46 O ATOM 1106 CB VAL A 70 5.867 -5.908 10.630 1.00 0.48 C ATOM 1107 CG1 VAL A 70 5.507 -7.138 11.476 1.00 0.61 C ATOM 1108 CG2 VAL A 70 5.817 -4.674 11.533 1.00 0.52 C ATOM 0 H VAL A 70 8.079 -6.505 11.667 1.00 0.53 H new ATOM 0 HA VAL A 70 6.949 -6.717 9.010 1.00 0.46 H new ATOM 0 HB VAL A 70 5.128 -5.798 9.837 1.00 0.48 H new ATOM 0 HG11 VAL A 70 4.568 -6.958 11.999 1.00 0.61 H new ATOM 0 HG12 VAL A 70 5.400 -8.007 10.827 1.00 0.61 H new ATOM 0 HG13 VAL A 70 6.297 -7.323 12.203 1.00 0.61 H new ATOM 0 HG21 VAL A 70 4.860 -4.643 12.054 1.00 0.52 H new ATOM 0 HG22 VAL A 70 6.625 -4.724 12.263 1.00 0.52 H new ATOM 0 HG23 VAL A 70 5.930 -3.775 10.927 1.00 0.52 H new ATOM 1118 N ARG A 71 7.465 -4.367 8.079 1.00 0.46 N ATOM 1119 CA ARG A 71 7.719 -3.040 7.548 1.00 0.40 C ATOM 1120 C ARG A 71 6.427 -2.577 6.911 1.00 0.44 C ATOM 1121 O ARG A 71 5.712 -3.381 6.315 1.00 0.72 O ATOM 1122 CB ARG A 71 8.888 -3.070 6.553 1.00 0.61 C ATOM 1123 CG ARG A 71 10.203 -2.807 7.294 1.00 0.66 C ATOM 1124 CD ARG A 71 11.426 -3.241 6.488 1.00 0.62 C ATOM 1125 NE ARG A 71 11.572 -4.702 6.554 1.00 0.69 N ATOM 1126 CZ ARG A 71 11.569 -5.588 5.546 1.00 0.64 C ATOM 1127 NH1 ARG A 71 11.460 -5.186 4.270 1.00 0.60 N ATOM 1128 NH2 ARG A 71 11.670 -6.894 5.833 1.00 0.81 N ATOM 0 H ARG A 71 7.085 -5.019 7.393 1.00 0.46 H new ATOM 0 HA ARG A 71 8.017 -2.342 8.330 1.00 0.40 H new ATOM 0 HB2 ARG A 71 8.928 -4.038 6.053 1.00 0.61 H new ATOM 0 HB3 ARG A 71 8.739 -2.317 5.779 1.00 0.61 H new ATOM 0 HG2 ARG A 71 10.281 -1.744 7.523 1.00 0.66 H new ATOM 0 HG3 ARG A 71 10.192 -3.338 8.246 1.00 0.66 H new ATOM 0 HD2 ARG A 71 11.321 -2.923 5.451 1.00 0.62 H new ATOM 0 HD3 ARG A 71 12.321 -2.759 6.880 1.00 0.62 H new ATOM 0 HE ARG A 71 11.691 -5.094 7.488 1.00 0.69 H new ATOM 0 HH11 ARG A 71 11.378 -4.193 4.054 1.00 0.60 H new ATOM 0 HH12 ARG A 71 11.460 -5.874 3.517 1.00 0.60 H new ATOM 0 HH21 ARG A 71 11.747 -7.198 6.803 1.00 0.81 H new ATOM 0 HH22 ARG A 71 11.670 -7.583 5.081 1.00 0.81 H new ATOM 1142 N ILE A 72 6.115 -1.292 7.060 1.00 0.35 N ATOM 1143 CA ILE A 72 4.970 -0.731 6.381 1.00 0.37 C ATOM 1144 C ILE A 72 5.426 -0.495 4.940 1.00 0.37 C ATOM 1145 O ILE A 72 6.187 0.431 4.668 1.00 0.43 O ATOM 1146 CB ILE A 72 4.444 0.524 7.106 1.00 0.38 C ATOM 1147 CG1 ILE A 72 3.452 1.281 6.206 1.00 0.53 C ATOM 1148 CG2 ILE A 72 5.536 1.436 7.686 1.00 0.49 C ATOM 1149 CD1 ILE A 72 2.888 2.482 6.948 1.00 1.42 C ATOM 0 H ILE A 72 6.637 -0.634 7.639 1.00 0.35 H new ATOM 0 HA ILE A 72 4.108 -1.398 6.383 1.00 0.37 H new ATOM 0 HB ILE A 72 3.913 0.170 7.990 1.00 0.38 H new ATOM 0 HG12 ILE A 72 3.952 1.608 5.295 1.00 0.53 H new ATOM 0 HG13 ILE A 72 2.642 0.617 5.904 1.00 0.53 H new ATOM 0 HG21 ILE A 72 5.073 2.292 8.177 1.00 0.49 H new ATOM 0 HG22 ILE A 72 6.128 0.878 8.412 1.00 0.49 H new ATOM 0 HG23 ILE A 72 6.183 1.786 6.882 1.00 0.49 H new ATOM 0 HD11 ILE A 72 2.187 3.012 6.303 1.00 1.42 H new ATOM 0 HD12 ILE A 72 2.371 2.145 7.846 1.00 1.42 H new ATOM 0 HD13 ILE A 72 3.701 3.152 7.227 1.00 1.42 H new ATOM 1161 N ILE A 73 5.048 -1.378 4.019 1.00 0.38 N ATOM 1162 CA ILE A 73 5.341 -1.184 2.611 1.00 0.37 C ATOM 1163 C ILE A 73 4.315 -0.224 2.029 1.00 0.39 C ATOM 1164 O ILE A 73 3.146 -0.229 2.411 1.00 0.48 O ATOM 1165 CB ILE A 73 5.365 -2.542 1.889 1.00 0.39 C ATOM 1166 CG1 ILE A 73 6.760 -3.176 1.921 1.00 0.42 C ATOM 1167 CG2 ILE A 73 4.908 -2.487 0.421 1.00 0.43 C ATOM 1168 CD1 ILE A 73 7.251 -3.462 3.341 1.00 0.43 C ATOM 0 H ILE A 73 4.537 -2.236 4.229 1.00 0.38 H new ATOM 0 HA ILE A 73 6.328 -0.742 2.475 1.00 0.37 H new ATOM 0 HB ILE A 73 4.649 -3.147 2.445 1.00 0.39 H new ATOM 0 HG12 ILE A 73 6.744 -4.106 1.353 1.00 0.42 H new ATOM 0 HG13 ILE A 73 7.467 -2.512 1.424 1.00 0.42 H new ATOM 0 HG21 ILE A 73 4.955 -3.486 -0.012 1.00 0.43 H new ATOM 0 HG22 ILE A 73 3.883 -2.119 0.372 1.00 0.43 H new ATOM 0 HG23 ILE A 73 5.561 -1.817 -0.139 1.00 0.43 H new ATOM 0 HD11 ILE A 73 8.244 -3.910 3.299 1.00 0.43 H new ATOM 0 HD12 ILE A 73 7.297 -2.530 3.905 1.00 0.43 H new ATOM 0 HD13 ILE A 73 6.563 -4.150 3.832 1.00 0.43 H new ATOM 1180 N SER A 74 4.761 0.567 1.059 1.00 0.42 N ATOM 1181 CA SER A 74 3.887 1.443 0.309 1.00 0.40 C ATOM 1182 C SER A 74 4.297 1.344 -1.154 1.00 0.42 C ATOM 1183 O SER A 74 5.396 1.787 -1.478 1.00 0.52 O ATOM 1184 CB SER A 74 4.112 2.869 0.806 1.00 0.44 C ATOM 1185 OG SER A 74 3.594 3.033 2.103 1.00 1.41 O ATOM 0 H SER A 74 5.740 0.614 0.775 1.00 0.42 H new ATOM 0 HA SER A 74 2.838 1.172 0.429 1.00 0.40 H new ATOM 0 HB2 SER A 74 5.178 3.096 0.804 1.00 0.44 H new ATOM 0 HB3 SER A 74 3.635 3.575 0.127 1.00 0.44 H new ATOM 0 HG SER A 74 2.693 3.414 2.050 1.00 1.41 H new ATOM 1191 N PHE A 75 3.488 0.762 -2.043 1.00 0.55 N ATOM 1192 CA PHE A 75 3.888 0.726 -3.450 1.00 0.65 C ATOM 1193 C PHE A 75 3.404 1.965 -4.203 1.00 0.55 C ATOM 1194 O PHE A 75 2.351 2.522 -3.887 1.00 0.53 O ATOM 1195 CB PHE A 75 3.531 -0.593 -4.137 1.00 0.93 C ATOM 1196 CG PHE A 75 2.067 -0.970 -4.205 1.00 0.59 C ATOM 1197 CD1 PHE A 75 1.278 -0.492 -5.270 1.00 1.97 C ATOM 1198 CD2 PHE A 75 1.611 -2.054 -3.433 1.00 1.92 C ATOM 1199 CE1 PHE A 75 0.098 -1.165 -5.627 1.00 2.07 C ATOM 1200 CE2 PHE A 75 0.470 -2.766 -3.833 1.00 1.94 C ATOM 1201 CZ PHE A 75 -0.268 -2.340 -4.949 1.00 0.92 C ATOM 0 H PHE A 75 2.591 0.327 -1.828 1.00 0.55 H new ATOM 0 HA PHE A 75 4.977 0.762 -3.476 1.00 0.65 H new ATOM 0 HB2 PHE A 75 3.917 -0.557 -5.156 1.00 0.93 H new ATOM 0 HB3 PHE A 75 4.062 -1.395 -3.623 1.00 0.93 H new ATOM 0 HD1 PHE A 75 1.581 0.392 -5.812 1.00 1.97 H new ATOM 0 HD2 PHE A 75 2.138 -2.338 -2.534 1.00 1.92 H new ATOM 0 HE1 PHE A 75 -0.526 -0.781 -6.420 1.00 2.07 H new ATOM 0 HE2 PHE A 75 0.159 -3.642 -3.282 1.00 1.94 H new ATOM 0 HZ PHE A 75 -1.117 -2.916 -5.286 1.00 0.92 H new ATOM 1211 N SER A 76 4.163 2.394 -5.213 1.00 0.53 N ATOM 1212 CA SER A 76 3.837 3.601 -5.953 1.00 0.50 C ATOM 1213 C SER A 76 2.660 3.330 -6.885 1.00 0.49 C ATOM 1214 O SER A 76 2.693 2.411 -7.699 1.00 0.59 O ATOM 1215 CB SER A 76 5.040 4.036 -6.789 1.00 0.55 C ATOM 1216 OG SER A 76 6.200 4.145 -5.989 1.00 2.20 O ATOM 0 H SER A 76 5.007 1.919 -5.533 1.00 0.53 H new ATOM 0 HA SER A 76 3.576 4.389 -5.247 1.00 0.50 H new ATOM 0 HB2 SER A 76 5.212 3.315 -7.588 1.00 0.55 H new ATOM 0 HB3 SER A 76 4.830 4.994 -7.264 1.00 0.55 H new ATOM 0 HG SER A 76 6.479 3.253 -5.694 1.00 2.20 H new ATOM 1222 N VAL A 77 1.619 4.149 -6.779 1.00 0.64 N ATOM 1223 CA VAL A 77 0.476 4.092 -7.667 1.00 0.64 C ATOM 1224 C VAL A 77 0.845 4.865 -8.932 1.00 0.58 C ATOM 1225 O VAL A 77 0.823 6.092 -8.946 1.00 0.69 O ATOM 1226 CB VAL A 77 -0.731 4.666 -6.926 1.00 0.69 C ATOM 1227 CG1 VAL A 77 -1.999 4.715 -7.779 1.00 0.80 C ATOM 1228 CG2 VAL A 77 -1.053 3.768 -5.728 1.00 0.78 C ATOM 0 H VAL A 77 1.550 4.875 -6.066 1.00 0.64 H new ATOM 0 HA VAL A 77 0.211 3.077 -7.964 1.00 0.64 H new ATOM 0 HB VAL A 77 -0.458 5.682 -6.641 1.00 0.69 H new ATOM 0 HG11 VAL A 77 -2.817 5.133 -7.192 1.00 0.80 H new ATOM 0 HG12 VAL A 77 -1.825 5.340 -8.655 1.00 0.80 H new ATOM 0 HG13 VAL A 77 -2.261 3.707 -8.100 1.00 0.80 H new ATOM 0 HG21 VAL A 77 -1.913 4.170 -5.193 1.00 0.78 H new ATOM 0 HG22 VAL A 77 -1.282 2.762 -6.079 1.00 0.78 H new ATOM 0 HG23 VAL A 77 -0.194 3.732 -5.059 1.00 0.78 H new ATOM 1238 N ASP A 78 1.223 4.111 -9.966 1.00 0.72 N ATOM 1239 CA ASP A 78 1.656 4.582 -11.277 1.00 0.73 C ATOM 1240 C ASP A 78 2.946 5.406 -11.211 1.00 0.67 C ATOM 1241 O ASP A 78 2.933 6.629 -11.377 1.00 0.78 O ATOM 1242 CB ASP A 78 0.550 5.342 -12.020 1.00 0.84 C ATOM 1243 CG ASP A 78 0.991 5.696 -13.433 1.00 1.03 C ATOM 1244 OD1 ASP A 78 2.028 5.146 -13.879 1.00 2.06 O ATOM 1245 OD2 ASP A 78 0.223 6.427 -14.094 1.00 1.98 O ATOM 0 H ASP A 78 1.235 3.093 -9.903 1.00 0.72 H new ATOM 0 HA ASP A 78 1.878 3.685 -11.855 1.00 0.73 H new ATOM 0 HB2 ASP A 78 -0.353 4.733 -12.058 1.00 0.84 H new ATOM 0 HB3 ASP A 78 0.298 6.251 -11.474 1.00 0.84 H new ATOM 1250 N PRO A 79 4.101 4.748 -11.030 1.00 0.63 N ATOM 1251 CA PRO A 79 5.366 5.439 -11.042 1.00 0.71 C ATOM 1252 C PRO A 79 5.857 5.717 -12.461 1.00 0.68 C ATOM 1253 O PRO A 79 7.003 6.148 -12.617 1.00 0.78 O ATOM 1254 CB PRO A 79 6.329 4.535 -10.275 1.00 0.91 C ATOM 1255 CG PRO A 79 5.825 3.160 -10.698 1.00 0.90 C ATOM 1256 CD PRO A 79 4.304 3.335 -10.773 1.00 0.71 C ATOM 0 HA PRO A 79 5.284 6.422 -10.579 1.00 0.71 H new ATOM 0 HB2 PRO A 79 7.368 4.701 -10.561 1.00 0.91 H new ATOM 0 HB3 PRO A 79 6.267 4.685 -9.197 1.00 0.91 H new ATOM 0 HG2 PRO A 79 6.241 2.860 -11.660 1.00 0.90 H new ATOM 0 HG3 PRO A 79 6.104 2.392 -9.976 1.00 0.90 H new ATOM 0 HD2 PRO A 79 3.875 2.724 -11.567 1.00 0.71 H new ATOM 0 HD3 PRO A 79 3.825 3.030 -9.842 1.00 0.71 H new ATOM 1264 N GLU A 80 5.044 5.504 -13.507 1.00 0.73 N ATOM 1265 CA GLU A 80 5.452 5.912 -14.826 1.00 0.82 C ATOM 1266 C GLU A 80 5.651 7.430 -14.796 1.00 0.87 C ATOM 1267 O GLU A 80 6.721 7.924 -15.160 1.00 1.01 O ATOM 1268 CB GLU A 80 4.412 5.431 -15.833 1.00 1.01 C ATOM 1269 CG GLU A 80 4.948 5.614 -17.247 1.00 1.84 C ATOM 1270 CD GLU A 80 4.131 4.796 -18.223 1.00 1.94 C ATOM 1271 OE1 GLU A 80 4.318 3.562 -18.210 1.00 2.00 O ATOM 1272 OE2 GLU A 80 3.229 5.382 -18.862 1.00 3.16 O ATOM 0 H GLU A 80 4.126 5.062 -13.452 1.00 0.73 H new ATOM 0 HA GLU A 80 6.397 5.468 -15.138 1.00 0.82 H new ATOM 0 HB2 GLU A 80 4.177 4.382 -15.655 1.00 1.01 H new ATOM 0 HB3 GLU A 80 3.485 5.991 -15.709 1.00 1.01 H new ATOM 0 HG2 GLU A 80 4.912 6.668 -17.524 1.00 1.84 H new ATOM 0 HG3 GLU A 80 5.993 5.308 -17.290 1.00 1.84 H new ATOM 1279 N ASN A 81 4.667 8.152 -14.253 1.00 0.94 N ATOM 1280 CA ASN A 81 4.834 9.540 -13.827 1.00 1.24 C ATOM 1281 C ASN A 81 5.476 9.606 -12.440 1.00 1.25 C ATOM 1282 O ASN A 81 6.533 10.226 -12.297 1.00 1.86 O ATOM 1283 CB ASN A 81 3.532 10.358 -13.907 1.00 1.69 C ATOM 1284 CG ASN A 81 2.277 9.541 -13.632 1.00 2.24 C ATOM 1285 OD1 ASN A 81 1.697 9.006 -14.568 1.00 2.58 O ATOM 1286 ND2 ASN A 81 1.864 9.417 -12.379 1.00 3.76 N ATOM 0 H ASN A 81 3.728 7.786 -14.097 1.00 0.94 H new ATOM 0 HA ASN A 81 5.514 10.012 -14.536 1.00 1.24 H new ATOM 0 HB2 ASN A 81 3.585 11.179 -13.191 1.00 1.69 H new ATOM 0 HB3 ASN A 81 3.454 10.804 -14.898 1.00 1.69 H new ATOM 0 HD21 ASN A 81 1.036 8.860 -12.168 1.00 3.76 H new ATOM 0 HD22 ASN A 81 2.374 9.878 -11.626 1.00 3.76 H new ATOM 1293 N ASP A 82 4.880 8.988 -11.414 1.00 1.08 N ATOM 1294 CA ASP A 82 5.283 9.251 -10.031 1.00 1.18 C ATOM 1295 C ASP A 82 6.505 8.411 -9.651 1.00 1.37 C ATOM 1296 O ASP A 82 6.436 7.492 -8.838 1.00 2.80 O ATOM 1297 CB ASP A 82 4.110 9.042 -9.064 1.00 1.16 C ATOM 1298 CG ASP A 82 3.043 10.124 -9.179 1.00 1.48 C ATOM 1299 OD1 ASP A 82 2.913 10.710 -10.273 1.00 2.51 O ATOM 1300 OD2 ASP A 82 2.379 10.378 -8.150 1.00 2.24 O ATOM 0 H ASP A 82 4.125 8.310 -11.515 1.00 1.08 H new ATOM 0 HA ASP A 82 5.575 10.298 -9.951 1.00 1.18 H new ATOM 0 HB2 ASP A 82 3.656 8.070 -9.257 1.00 1.16 H new ATOM 0 HB3 ASP A 82 4.488 9.020 -8.042 1.00 1.16 H new ATOM 1305 N LYS A 83 7.643 8.712 -10.270 1.00 0.83 N ATOM 1306 CA LYS A 83 8.886 7.991 -10.043 1.00 0.76 C ATOM 1307 C LYS A 83 9.270 8.037 -8.551 1.00 0.72 C ATOM 1308 O LYS A 83 8.870 8.964 -7.845 1.00 0.79 O ATOM 1309 CB LYS A 83 9.952 8.545 -10.992 1.00 0.92 C ATOM 1310 CG LYS A 83 9.521 8.336 -12.454 1.00 1.40 C ATOM 1311 CD LYS A 83 10.645 8.662 -13.442 1.00 1.67 C ATOM 1312 CE LYS A 83 10.132 8.758 -14.890 1.00 2.03 C ATOM 1313 NZ LYS A 83 9.298 7.605 -15.292 1.00 2.94 N ATOM 0 H LYS A 83 7.726 9.469 -10.948 1.00 0.83 H new ATOM 0 HA LYS A 83 8.777 6.931 -10.272 1.00 0.76 H new ATOM 0 HB2 LYS A 83 10.105 9.607 -10.799 1.00 0.92 H new ATOM 0 HB3 LYS A 83 10.905 8.047 -10.811 1.00 0.92 H new ATOM 0 HG2 LYS A 83 9.206 7.302 -12.594 1.00 1.40 H new ATOM 0 HG3 LYS A 83 8.657 8.964 -12.669 1.00 1.40 H new ATOM 0 HD2 LYS A 83 11.113 9.605 -13.160 1.00 1.67 H new ATOM 0 HD3 LYS A 83 11.415 7.893 -13.381 1.00 1.67 H new ATOM 0 HE2 LYS A 83 9.552 9.674 -15.003 1.00 2.03 H new ATOM 0 HE3 LYS A 83 10.984 8.835 -15.566 1.00 2.03 H new ATOM 0 HZ1 LYS A 83 9.307 7.515 -16.328 1.00 2.94 H new ATOM 0 HZ2 LYS A 83 9.678 6.736 -14.865 1.00 2.94 H new ATOM 0 HZ3 LYS A 83 8.322 7.752 -14.966 1.00 2.94 H new ATOM 1327 N PRO A 84 10.045 7.064 -8.035 1.00 0.67 N ATOM 1328 CA PRO A 84 10.361 6.966 -6.611 1.00 0.67 C ATOM 1329 C PRO A 84 10.943 8.255 -6.024 1.00 0.69 C ATOM 1330 O PRO A 84 10.701 8.571 -4.863 1.00 0.68 O ATOM 1331 CB PRO A 84 11.326 5.783 -6.464 1.00 0.68 C ATOM 1332 CG PRO A 84 11.845 5.549 -7.883 1.00 0.67 C ATOM 1333 CD PRO A 84 10.649 5.950 -8.746 1.00 0.67 C ATOM 0 HA PRO A 84 9.446 6.807 -6.040 1.00 0.67 H new ATOM 0 HB2 PRO A 84 12.138 6.014 -5.775 1.00 0.68 H new ATOM 0 HB3 PRO A 84 10.819 4.900 -6.074 1.00 0.68 H new ATOM 0 HG2 PRO A 84 12.723 6.158 -8.099 1.00 0.67 H new ATOM 0 HG3 PRO A 84 12.131 4.509 -8.044 1.00 0.67 H new ATOM 0 HD2 PRO A 84 10.963 6.242 -9.748 1.00 0.67 H new ATOM 0 HD3 PRO A 84 9.947 5.124 -8.860 1.00 0.67 H new ATOM 1341 N LYS A 85 11.694 9.025 -6.815 1.00 0.76 N ATOM 1342 CA LYS A 85 12.209 10.310 -6.397 1.00 0.84 C ATOM 1343 C LYS A 85 11.075 11.296 -6.111 1.00 0.77 C ATOM 1344 O LYS A 85 11.165 12.086 -5.169 1.00 0.74 O ATOM 1345 CB LYS A 85 13.161 10.813 -7.468 1.00 1.08 C ATOM 1346 CG LYS A 85 14.570 10.257 -7.263 1.00 1.69 C ATOM 1347 CD LYS A 85 15.526 10.510 -8.438 1.00 1.76 C ATOM 1348 CE LYS A 85 15.890 11.997 -8.582 1.00 2.26 C ATOM 1349 NZ LYS A 85 16.939 12.215 -9.601 1.00 3.20 N ATOM 0 H LYS A 85 11.957 8.764 -7.765 1.00 0.76 H new ATOM 0 HA LYS A 85 12.756 10.209 -5.459 1.00 0.84 H new ATOM 0 HB2 LYS A 85 12.792 10.522 -8.451 1.00 1.08 H new ATOM 0 HB3 LYS A 85 13.191 11.902 -7.449 1.00 1.08 H new ATOM 0 HG2 LYS A 85 14.995 10.699 -6.362 1.00 1.69 H new ATOM 0 HG3 LYS A 85 14.503 9.183 -7.089 1.00 1.69 H new ATOM 0 HD2 LYS A 85 16.436 9.927 -8.295 1.00 1.76 H new ATOM 0 HD3 LYS A 85 15.065 10.160 -9.361 1.00 1.76 H new ATOM 0 HE2 LYS A 85 14.999 12.564 -8.852 1.00 2.26 H new ATOM 0 HE3 LYS A 85 16.233 12.381 -7.621 1.00 2.26 H new ATOM 0 HZ1 LYS A 85 17.154 13.230 -9.666 1.00 3.20 H new ATOM 0 HZ2 LYS A 85 17.799 11.695 -9.331 1.00 3.20 H new ATOM 0 HZ3 LYS A 85 16.603 11.873 -10.524 1.00 3.20 H new ATOM 1363 N GLN A 86 10.007 11.253 -6.914 1.00 0.81 N ATOM 1364 CA GLN A 86 8.833 12.060 -6.693 1.00 0.83 C ATOM 1365 C GLN A 86 8.229 11.651 -5.356 1.00 0.75 C ATOM 1366 O GLN A 86 8.011 12.501 -4.498 1.00 0.88 O ATOM 1367 CB GLN A 86 7.844 11.855 -7.843 1.00 0.92 C ATOM 1368 CG GLN A 86 7.148 13.138 -8.294 1.00 1.09 C ATOM 1369 CD GLN A 86 6.728 14.034 -7.129 1.00 1.87 C ATOM 1370 OE1 GLN A 86 5.760 13.771 -6.428 1.00 3.37 O ATOM 1371 NE2 GLN A 86 7.498 15.093 -6.886 1.00 2.28 N ATOM 0 H GLN A 86 9.946 10.651 -7.735 1.00 0.81 H new ATOM 0 HA GLN A 86 9.085 13.120 -6.663 1.00 0.83 H new ATOM 0 HB2 GLN A 86 8.373 11.422 -8.692 1.00 0.92 H new ATOM 0 HB3 GLN A 86 7.089 11.132 -7.536 1.00 0.92 H new ATOM 0 HG2 GLN A 86 7.816 13.695 -8.950 1.00 1.09 H new ATOM 0 HG3 GLN A 86 6.267 12.879 -8.881 1.00 1.09 H new ATOM 0 HE21 GLN A 86 8.299 15.290 -7.486 1.00 2.28 H new ATOM 0 HE22 GLN A 86 7.287 15.708 -6.100 1.00 2.28 H new ATOM 1380 N LEU A 87 8.026 10.342 -5.167 1.00 0.61 N ATOM 1381 CA LEU A 87 7.531 9.831 -3.899 1.00 0.54 C ATOM 1382 C LEU A 87 8.407 10.313 -2.746 1.00 0.49 C ATOM 1383 O LEU A 87 7.873 10.749 -1.735 1.00 0.50 O ATOM 1384 CB LEU A 87 7.366 8.303 -3.878 1.00 0.49 C ATOM 1385 CG LEU A 87 6.030 7.840 -4.487 1.00 0.56 C ATOM 1386 CD1 LEU A 87 6.086 7.715 -6.007 1.00 1.11 C ATOM 1387 CD2 LEU A 87 5.608 6.493 -3.902 1.00 0.98 C ATOM 0 H LEU A 87 8.198 9.628 -5.875 1.00 0.61 H new ATOM 0 HA LEU A 87 6.528 10.237 -3.771 1.00 0.54 H new ATOM 0 HB2 LEU A 87 8.189 7.845 -4.427 1.00 0.49 H new ATOM 0 HB3 LEU A 87 7.434 7.949 -2.849 1.00 0.49 H new ATOM 0 HG LEU A 87 5.300 8.609 -4.234 1.00 0.56 H new ATOM 0 HD11 LEU A 87 5.117 7.385 -6.381 1.00 1.11 H new ATOM 0 HD12 LEU A 87 6.333 8.683 -6.443 1.00 1.11 H new ATOM 0 HD13 LEU A 87 6.848 6.987 -6.284 1.00 1.11 H new ATOM 0 HD21 LEU A 87 4.662 6.184 -4.346 1.00 0.98 H new ATOM 0 HD22 LEU A 87 6.372 5.746 -4.120 1.00 0.98 H new ATOM 0 HD23 LEU A 87 5.489 6.586 -2.823 1.00 0.98 H new ATOM 1399 N LYS A 88 9.735 10.276 -2.878 1.00 0.49 N ATOM 1400 CA LYS A 88 10.613 10.701 -1.795 1.00 0.51 C ATOM 1401 C LYS A 88 10.436 12.197 -1.491 1.00 0.56 C ATOM 1402 O LYS A 88 10.267 12.578 -0.331 1.00 0.57 O ATOM 1403 CB LYS A 88 12.071 10.312 -2.089 1.00 0.62 C ATOM 1404 CG LYS A 88 12.840 10.080 -0.778 1.00 0.78 C ATOM 1405 CD LYS A 88 14.282 9.628 -1.049 1.00 0.97 C ATOM 1406 CE LYS A 88 15.095 9.435 0.243 1.00 1.37 C ATOM 1407 NZ LYS A 88 14.625 8.297 1.064 1.00 1.72 N ATOM 0 H LYS A 88 10.219 9.958 -3.718 1.00 0.49 H new ATOM 0 HA LYS A 88 10.328 10.172 -0.886 1.00 0.51 H new ATOM 0 HB2 LYS A 88 12.097 9.408 -2.698 1.00 0.62 H new ATOM 0 HB3 LYS A 88 12.555 11.100 -2.667 1.00 0.62 H new ATOM 0 HG2 LYS A 88 12.849 10.999 -0.192 1.00 0.78 H new ATOM 0 HG3 LYS A 88 12.326 9.326 -0.181 1.00 0.78 H new ATOM 0 HD2 LYS A 88 14.266 8.692 -1.607 1.00 0.97 H new ATOM 0 HD3 LYS A 88 14.778 10.367 -1.679 1.00 0.97 H new ATOM 0 HE2 LYS A 88 16.143 9.280 -0.015 1.00 1.37 H new ATOM 0 HE3 LYS A 88 15.044 10.348 0.836 1.00 1.37 H new ATOM 0 HZ1 LYS A 88 15.392 7.982 1.692 1.00 1.72 H new ATOM 0 HZ2 LYS A 88 13.809 8.595 1.636 1.00 1.72 H new ATOM 0 HZ3 LYS A 88 14.344 7.513 0.442 1.00 1.72 H new ATOM 1421 N LYS A 89 10.462 13.052 -2.520 1.00 0.68 N ATOM 1422 CA LYS A 89 10.255 14.485 -2.319 1.00 0.82 C ATOM 1423 C LYS A 89 8.878 14.772 -1.712 1.00 0.78 C ATOM 1424 O LYS A 89 8.760 15.570 -0.787 1.00 0.83 O ATOM 1425 CB LYS A 89 10.442 15.276 -3.619 1.00 1.14 C ATOM 1426 CG LYS A 89 11.909 15.292 -4.067 1.00 1.94 C ATOM 1427 CD LYS A 89 12.224 16.510 -4.951 1.00 2.48 C ATOM 1428 CE LYS A 89 11.345 16.581 -6.209 1.00 2.25 C ATOM 1429 NZ LYS A 89 11.623 17.796 -7.008 1.00 2.73 N ATOM 0 H LYS A 89 10.623 12.778 -3.489 1.00 0.68 H new ATOM 0 HA LYS A 89 11.016 14.817 -1.613 1.00 0.82 H new ATOM 0 HB2 LYS A 89 9.826 14.837 -4.404 1.00 1.14 H new ATOM 0 HB3 LYS A 89 10.094 16.299 -3.476 1.00 1.14 H new ATOM 0 HG2 LYS A 89 12.556 15.302 -3.190 1.00 1.94 H new ATOM 0 HG3 LYS A 89 12.131 14.377 -4.616 1.00 1.94 H new ATOM 0 HD2 LYS A 89 12.088 17.421 -4.367 1.00 2.48 H new ATOM 0 HD3 LYS A 89 13.272 16.475 -5.248 1.00 2.48 H new ATOM 0 HE2 LYS A 89 11.516 15.696 -6.822 1.00 2.25 H new ATOM 0 HE3 LYS A 89 10.294 16.570 -5.919 1.00 2.25 H new ATOM 0 HZ1 LYS A 89 11.010 17.807 -7.848 1.00 2.73 H new ATOM 0 HZ2 LYS A 89 11.435 18.641 -6.432 1.00 2.73 H new ATOM 0 HZ3 LYS A 89 12.619 17.795 -7.307 1.00 2.73 H new ATOM 1443 N PHE A 90 7.834 14.129 -2.233 1.00 0.81 N ATOM 1444 CA PHE A 90 6.487 14.212 -1.687 1.00 0.87 C ATOM 1445 C PHE A 90 6.516 13.816 -0.211 1.00 0.82 C ATOM 1446 O PHE A 90 6.068 14.565 0.655 1.00 0.96 O ATOM 1447 CB PHE A 90 5.562 13.294 -2.497 1.00 0.92 C ATOM 1448 CG PHE A 90 4.209 13.020 -1.869 1.00 0.92 C ATOM 1449 CD1 PHE A 90 4.062 11.949 -0.962 1.00 1.68 C ATOM 1450 CD2 PHE A 90 3.070 13.729 -2.293 1.00 1.98 C ATOM 1451 CE1 PHE A 90 2.796 11.618 -0.456 1.00 1.77 C ATOM 1452 CE2 PHE A 90 1.793 13.316 -1.876 1.00 1.98 C ATOM 1453 CZ PHE A 90 1.657 12.286 -0.931 1.00 1.08 C ATOM 0 H PHE A 90 7.904 13.530 -3.055 1.00 0.81 H new ATOM 0 HA PHE A 90 6.107 15.231 -1.757 1.00 0.87 H new ATOM 0 HB2 PHE A 90 5.405 13.739 -3.479 1.00 0.92 H new ATOM 0 HB3 PHE A 90 6.070 12.343 -2.656 1.00 0.92 H new ATOM 0 HD1 PHE A 90 4.928 11.381 -0.656 1.00 1.68 H new ATOM 0 HD2 PHE A 90 3.177 14.589 -2.938 1.00 1.98 H new ATOM 0 HE1 PHE A 90 2.698 10.851 0.298 1.00 1.77 H new ATOM 0 HE2 PHE A 90 0.913 13.792 -2.284 1.00 1.98 H new ATOM 0 HZ PHE A 90 0.677 12.009 -0.570 1.00 1.08 H new ATOM 1463 N ALA A 91 7.074 12.638 0.061 1.00 0.70 N ATOM 1464 CA ALA A 91 7.050 11.962 1.344 1.00 0.81 C ATOM 1465 C ALA A 91 7.595 12.873 2.426 1.00 0.90 C ATOM 1466 O ALA A 91 6.994 12.985 3.487 1.00 1.38 O ATOM 1467 CB ALA A 91 7.884 10.688 1.254 1.00 0.76 C ATOM 0 H ALA A 91 7.580 12.107 -0.648 1.00 0.70 H new ATOM 0 HA ALA A 91 6.022 11.704 1.600 1.00 0.81 H new ATOM 0 HB1 ALA A 91 7.870 10.175 2.216 1.00 0.76 H new ATOM 0 HB2 ALA A 91 7.468 10.034 0.488 1.00 0.76 H new ATOM 0 HB3 ALA A 91 8.911 10.943 0.994 1.00 0.76 H new ATOM 1473 N ALA A 92 8.704 13.552 2.125 1.00 0.76 N ATOM 1474 CA ALA A 92 9.328 14.535 2.998 1.00 0.92 C ATOM 1475 C ALA A 92 8.338 15.547 3.601 1.00 0.91 C ATOM 1476 O ALA A 92 8.608 16.099 4.664 1.00 1.16 O ATOM 1477 CB ALA A 92 10.413 15.255 2.198 1.00 1.02 C ATOM 0 H ALA A 92 9.202 13.426 1.244 1.00 0.76 H new ATOM 0 HA ALA A 92 9.751 14.006 3.852 1.00 0.92 H new ATOM 0 HB1 ALA A 92 10.898 15.999 2.830 1.00 1.02 H new ATOM 0 HB2 ALA A 92 11.153 14.532 1.856 1.00 1.02 H new ATOM 0 HB3 ALA A 92 9.963 15.749 1.337 1.00 1.02 H new ATOM 1483 N ASN A 93 7.212 15.815 2.928 1.00 0.71 N ATOM 1484 CA ASN A 93 6.198 16.745 3.424 1.00 0.78 C ATOM 1485 C ASN A 93 5.362 16.102 4.531 1.00 0.75 C ATOM 1486 O ASN A 93 4.936 16.783 5.462 1.00 0.77 O ATOM 1487 CB ASN A 93 5.274 17.231 2.299 1.00 0.85 C ATOM 1488 CG ASN A 93 6.024 18.018 1.229 1.00 0.93 C ATOM 1489 OD1 ASN A 93 6.068 19.243 1.260 1.00 1.67 O ATOM 1490 ND2 ASN A 93 6.619 17.321 0.267 1.00 1.52 N ATOM 0 H ASN A 93 6.982 15.394 2.028 1.00 0.71 H new ATOM 0 HA ASN A 93 6.729 17.607 3.829 1.00 0.78 H new ATOM 0 HB2 ASN A 93 4.784 16.373 1.839 1.00 0.85 H new ATOM 0 HB3 ASN A 93 4.488 17.857 2.723 1.00 0.85 H new ATOM 0 HD21 ASN A 93 7.130 17.804 -0.472 1.00 1.52 H new ATOM 0 HD22 ASN A 93 6.565 16.302 0.267 1.00 1.52 H new ATOM 1497 N TYR A 94 5.094 14.799 4.426 1.00 0.86 N ATOM 1498 CA TYR A 94 4.395 14.057 5.463 1.00 0.86 C ATOM 1499 C TYR A 94 5.396 13.736 6.582 1.00 0.89 C ATOM 1500 O TYR A 94 6.574 13.514 6.303 1.00 1.02 O ATOM 1501 CB TYR A 94 3.745 12.811 4.859 1.00 0.92 C ATOM 1502 CG TYR A 94 2.438 13.157 4.172 1.00 0.83 C ATOM 1503 CD1 TYR A 94 1.261 13.238 4.937 1.00 2.02 C ATOM 1504 CD2 TYR A 94 2.409 13.486 2.805 1.00 1.73 C ATOM 1505 CE1 TYR A 94 0.056 13.638 4.337 1.00 1.96 C ATOM 1506 CE2 TYR A 94 1.204 13.901 2.209 1.00 1.84 C ATOM 1507 CZ TYR A 94 0.032 13.996 2.980 1.00 0.92 C ATOM 1508 OH TYR A 94 -1.153 14.354 2.409 1.00 1.09 O ATOM 0 H TYR A 94 5.357 14.234 3.619 1.00 0.86 H new ATOM 0 HA TYR A 94 3.586 14.644 5.897 1.00 0.86 H new ATOM 0 HB2 TYR A 94 4.426 12.353 4.142 1.00 0.92 H new ATOM 0 HB3 TYR A 94 3.564 12.075 5.642 1.00 0.92 H new ATOM 0 HD1 TYR A 94 1.284 12.992 5.988 1.00 2.02 H new ATOM 0 HD2 TYR A 94 3.310 13.420 2.214 1.00 1.73 H new ATOM 0 HE1 TYR A 94 -0.853 13.670 4.920 1.00 1.96 H new ATOM 0 HE2 TYR A 94 1.179 14.147 1.158 1.00 1.84 H new ATOM 0 HH TYR A 94 -1.008 14.575 1.465 1.00 1.09 H new ATOM 1518 N PRO A 95 4.975 13.725 7.856 1.00 1.04 N ATOM 1519 CA PRO A 95 5.881 13.548 8.983 1.00 1.19 C ATOM 1520 C PRO A 95 6.284 12.074 9.121 1.00 1.02 C ATOM 1521 O PRO A 95 5.907 11.414 10.089 1.00 1.26 O ATOM 1522 CB PRO A 95 5.096 14.075 10.191 1.00 1.56 C ATOM 1523 CG PRO A 95 3.646 13.756 9.827 1.00 1.59 C ATOM 1524 CD PRO A 95 3.622 13.995 8.317 1.00 1.29 C ATOM 0 HA PRO A 95 6.823 14.084 8.871 1.00 1.19 H new ATOM 0 HB2 PRO A 95 5.398 13.581 11.115 1.00 1.56 H new ATOM 0 HB3 PRO A 95 5.249 15.144 10.336 1.00 1.56 H new ATOM 0 HG2 PRO A 95 3.381 12.729 10.079 1.00 1.59 H new ATOM 0 HG3 PRO A 95 2.944 14.404 10.351 1.00 1.59 H new ATOM 0 HD2 PRO A 95 2.903 13.338 7.828 1.00 1.29 H new ATOM 0 HD3 PRO A 95 3.327 15.019 8.087 1.00 1.29 H new ATOM 1532 N LEU A 96 7.031 11.549 8.143 1.00 0.78 N ATOM 1533 CA LEU A 96 7.457 10.157 8.095 1.00 0.69 C ATOM 1534 C LEU A 96 8.972 10.015 8.116 1.00 0.64 C ATOM 1535 O LEU A 96 9.712 10.998 8.094 1.00 0.68 O ATOM 1536 CB LEU A 96 6.829 9.442 6.889 1.00 0.63 C ATOM 1537 CG LEU A 96 7.274 9.851 5.477 1.00 0.57 C ATOM 1538 CD1 LEU A 96 8.607 9.202 5.074 1.00 0.64 C ATOM 1539 CD2 LEU A 96 6.167 9.372 4.530 1.00 0.67 C ATOM 0 H LEU A 96 7.360 12.097 7.348 1.00 0.78 H new ATOM 0 HA LEU A 96 7.096 9.670 9.001 1.00 0.69 H new ATOM 0 HB2 LEU A 96 7.021 8.375 7.000 1.00 0.63 H new ATOM 0 HB3 LEU A 96 5.749 9.579 6.948 1.00 0.63 H new ATOM 0 HG LEU A 96 7.429 10.929 5.434 1.00 0.57 H new ATOM 0 HD11 LEU A 96 8.878 9.522 4.068 1.00 0.64 H new ATOM 0 HD12 LEU A 96 9.386 9.505 5.774 1.00 0.64 H new ATOM 0 HD13 LEU A 96 8.504 8.117 5.094 1.00 0.64 H new ATOM 0 HD21 LEU A 96 6.426 9.635 3.505 1.00 0.67 H new ATOM 0 HD22 LEU A 96 6.061 8.290 4.612 1.00 0.67 H new ATOM 0 HD23 LEU A 96 5.225 9.850 4.800 1.00 0.67 H new ATOM 1551 N SER A 97 9.426 8.762 8.112 1.00 0.78 N ATOM 1552 CA SER A 97 10.798 8.398 7.823 1.00 0.96 C ATOM 1553 C SER A 97 10.783 7.043 7.124 1.00 0.79 C ATOM 1554 O SER A 97 9.832 6.274 7.260 1.00 0.79 O ATOM 1555 CB SER A 97 11.633 8.358 9.104 1.00 1.38 C ATOM 1556 OG SER A 97 12.962 7.969 8.793 1.00 2.51 O ATOM 0 H SER A 97 8.830 7.959 8.315 1.00 0.78 H new ATOM 0 HA SER A 97 11.259 9.142 7.174 1.00 0.96 H new ATOM 0 HB2 SER A 97 11.632 9.338 9.582 1.00 1.38 H new ATOM 0 HB3 SER A 97 11.195 7.657 9.814 1.00 1.38 H new ATOM 0 HG SER A 97 13.497 7.945 9.614 1.00 2.51 H new ATOM 1562 N PHE A 98 11.860 6.776 6.389 1.00 0.77 N ATOM 1563 CA PHE A 98 12.137 5.514 5.720 1.00 0.73 C ATOM 1564 C PHE A 98 12.448 4.414 6.742 1.00 0.58 C ATOM 1565 O PHE A 98 12.229 3.239 6.459 1.00 0.54 O ATOM 1566 CB PHE A 98 13.290 5.736 4.736 1.00 0.84 C ATOM 1567 CG PHE A 98 12.997 6.858 3.749 1.00 0.86 C ATOM 1568 CD1 PHE A 98 12.003 6.658 2.773 1.00 2.00 C ATOM 1569 CD2 PHE A 98 13.423 8.170 4.042 1.00 1.86 C ATOM 1570 CE1 PHE A 98 11.374 7.758 2.162 1.00 1.95 C ATOM 1571 CE2 PHE A 98 12.776 9.272 3.453 1.00 1.89 C ATOM 1572 CZ PHE A 98 11.734 9.066 2.531 1.00 0.84 C ATOM 0 H PHE A 98 12.595 7.467 6.239 1.00 0.77 H new ATOM 0 HA PHE A 98 11.261 5.176 5.166 1.00 0.73 H new ATOM 0 HB2 PHE A 98 14.198 5.971 5.291 1.00 0.84 H new ATOM 0 HB3 PHE A 98 13.480 4.813 4.188 1.00 0.84 H new ATOM 0 HD1 PHE A 98 11.721 5.654 2.491 1.00 2.00 H new ATOM 0 HD2 PHE A 98 14.248 8.329 4.720 1.00 1.86 H new ATOM 0 HE1 PHE A 98 10.615 7.598 1.410 1.00 1.95 H new ATOM 0 HE2 PHE A 98 13.080 10.276 3.709 1.00 1.89 H new ATOM 0 HZ PHE A 98 11.211 9.911 2.107 1.00 0.84 H new ATOM 1582 N ASP A 99 12.926 4.837 7.921 1.00 0.59 N ATOM 1583 CA ASP A 99 13.061 4.125 9.192 1.00 0.50 C ATOM 1584 C ASP A 99 12.617 2.662 9.136 1.00 0.44 C ATOM 1585 O ASP A 99 13.435 1.746 9.193 1.00 0.57 O ATOM 1586 CB ASP A 99 12.269 4.948 10.225 1.00 0.73 C ATOM 1587 CG ASP A 99 11.999 4.273 11.559 1.00 1.03 C ATOM 1588 OD1 ASP A 99 12.614 3.237 11.885 1.00 2.04 O ATOM 1589 OD2 ASP A 99 11.108 4.773 12.284 1.00 2.23 O ATOM 0 H ASP A 99 13.264 5.795 8.013 1.00 0.59 H new ATOM 0 HA ASP A 99 14.113 4.049 9.467 1.00 0.50 H new ATOM 0 HB2 ASP A 99 12.812 5.874 10.414 1.00 0.73 H new ATOM 0 HB3 ASP A 99 11.312 5.224 9.782 1.00 0.73 H new ATOM 1594 N ASN A 100 11.306 2.462 9.022 1.00 0.41 N ATOM 1595 CA ASN A 100 10.685 1.141 9.000 1.00 0.50 C ATOM 1596 C ASN A 100 9.590 1.146 7.938 1.00 0.38 C ATOM 1597 O ASN A 100 8.460 0.734 8.184 1.00 0.48 O ATOM 1598 CB ASN A 100 10.143 0.913 10.418 1.00 0.82 C ATOM 1599 CG ASN A 100 9.302 -0.340 10.660 1.00 1.30 C ATOM 1600 OD1 ASN A 100 8.303 -0.266 11.368 1.00 3.40 O ATOM 1601 ND2 ASN A 100 9.696 -1.492 10.129 1.00 0.84 N ATOM 0 H ASN A 100 10.635 3.226 8.941 1.00 0.41 H new ATOM 0 HA ASN A 100 11.371 0.334 8.742 1.00 0.50 H new ATOM 0 HB2 ASN A 100 10.991 0.886 11.102 1.00 0.82 H new ATOM 0 HB3 ASN A 100 9.541 1.780 10.691 1.00 0.82 H new ATOM 0 HD21 ASN A 100 9.164 -2.344 10.306 1.00 0.84 H new ATOM 0 HD22 ASN A 100 10.531 -1.525 9.544 1.00 0.84 H new ATOM 1608 N TRP A 101 9.950 1.589 6.732 1.00 0.36 N ATOM 1609 CA TRP A 101 8.993 1.927 5.690 1.00 0.35 C ATOM 1610 C TRP A 101 9.619 1.733 4.306 1.00 0.38 C ATOM 1611 O TRP A 101 10.456 2.528 3.876 1.00 0.44 O ATOM 1612 CB TRP A 101 8.519 3.369 5.921 1.00 0.41 C ATOM 1613 CG TRP A 101 7.251 3.800 5.254 1.00 0.39 C ATOM 1614 CD1 TRP A 101 6.731 3.315 4.105 1.00 0.40 C ATOM 1615 CD2 TRP A 101 6.294 4.793 5.732 1.00 0.43 C ATOM 1616 NE1 TRP A 101 5.518 3.915 3.864 1.00 0.46 N ATOM 1617 CE2 TRP A 101 5.202 4.845 4.823 1.00 0.47 C ATOM 1618 CE3 TRP A 101 6.233 5.649 6.851 1.00 0.52 C ATOM 1619 CZ2 TRP A 101 4.111 5.705 5.001 1.00 0.57 C ATOM 1620 CZ3 TRP A 101 5.125 6.492 7.062 1.00 0.59 C ATOM 1621 CH2 TRP A 101 4.079 6.543 6.126 1.00 0.62 C ATOM 0 H TRP A 101 10.922 1.722 6.454 1.00 0.36 H new ATOM 0 HA TRP A 101 8.128 1.265 5.732 1.00 0.35 H new ATOM 0 HB2 TRP A 101 8.399 3.515 6.995 1.00 0.41 H new ATOM 0 HB3 TRP A 101 9.314 4.040 5.595 1.00 0.41 H new ATOM 0 HD1 TRP A 101 7.196 2.572 3.474 1.00 0.40 H new ATOM 0 HE1 TRP A 101 4.922 3.695 3.066 1.00 0.46 H new ATOM 0 HE3 TRP A 101 7.050 5.658 7.558 1.00 0.52 H new ATOM 0 HZ2 TRP A 101 3.305 5.723 4.282 1.00 0.57 H new ATOM 0 HZ3 TRP A 101 5.079 7.104 7.951 1.00 0.59 H new ATOM 0 HH2 TRP A 101 3.254 7.224 6.272 1.00 0.62 H new ATOM 1632 N ASP A 102 9.180 0.693 3.592 1.00 0.38 N ATOM 1633 CA ASP A 102 9.692 0.342 2.272 1.00 0.42 C ATOM 1634 C ASP A 102 8.735 0.916 1.220 1.00 0.40 C ATOM 1635 O ASP A 102 7.713 0.316 0.885 1.00 0.45 O ATOM 1636 CB ASP A 102 9.833 -1.189 2.138 1.00 0.47 C ATOM 1637 CG ASP A 102 11.229 -1.741 2.408 1.00 0.59 C ATOM 1638 OD1 ASP A 102 12.191 -1.152 1.866 1.00 1.62 O ATOM 1639 OD2 ASP A 102 11.309 -2.787 3.098 1.00 1.43 O ATOM 0 H ASP A 102 8.448 0.064 3.923 1.00 0.38 H new ATOM 0 HA ASP A 102 10.685 0.766 2.123 1.00 0.42 H new ATOM 0 HB2 ASP A 102 9.133 -1.663 2.826 1.00 0.47 H new ATOM 0 HB3 ASP A 102 9.535 -1.478 1.130 1.00 0.47 H new ATOM 1644 N PHE A 103 9.072 2.086 0.674 1.00 0.41 N ATOM 1645 CA PHE A 103 8.347 2.624 -0.469 1.00 0.42 C ATOM 1646 C PHE A 103 8.823 1.885 -1.719 1.00 0.45 C ATOM 1647 O PHE A 103 9.979 2.066 -2.104 1.00 0.53 O ATOM 1648 CB PHE A 103 8.577 4.131 -0.619 1.00 0.47 C ATOM 1649 CG PHE A 103 7.761 4.982 0.329 1.00 0.43 C ATOM 1650 CD1 PHE A 103 6.473 5.400 -0.055 1.00 1.63 C ATOM 1651 CD2 PHE A 103 8.264 5.337 1.595 1.00 1.86 C ATOM 1652 CE1 PHE A 103 5.701 6.191 0.810 1.00 1.67 C ATOM 1653 CE2 PHE A 103 7.503 6.155 2.449 1.00 1.86 C ATOM 1654 CZ PHE A 103 6.221 6.580 2.055 1.00 0.59 C ATOM 0 H PHE A 103 9.838 2.673 1.005 1.00 0.41 H new ATOM 0 HA PHE A 103 7.277 2.478 -0.323 1.00 0.42 H new ATOM 0 HB2 PHE A 103 9.634 4.343 -0.461 1.00 0.47 H new ATOM 0 HB3 PHE A 103 8.343 4.422 -1.643 1.00 0.47 H new ATOM 0 HD1 PHE A 103 6.078 5.111 -1.018 1.00 1.63 H new ATOM 0 HD2 PHE A 103 9.234 4.981 1.910 1.00 1.86 H new ATOM 0 HE1 PHE A 103 4.708 6.500 0.518 1.00 1.67 H new ATOM 0 HE2 PHE A 103 7.902 6.457 3.406 1.00 1.86 H new ATOM 0 HZ PHE A 103 5.636 7.207 2.711 1.00 0.59 H new ATOM 1664 N LEU A 104 7.969 1.049 -2.321 1.00 0.43 N ATOM 1665 CA LEU A 104 8.315 0.175 -3.441 1.00 0.45 C ATOM 1666 C LEU A 104 7.881 0.765 -4.781 1.00 0.46 C ATOM 1667 O LEU A 104 6.816 1.368 -4.881 1.00 0.59 O ATOM 1668 CB LEU A 104 7.731 -1.228 -3.237 1.00 0.50 C ATOM 1669 CG LEU A 104 8.177 -1.893 -1.924 1.00 0.55 C ATOM 1670 CD1 LEU A 104 7.752 -3.359 -1.932 1.00 0.62 C ATOM 1671 CD2 LEU A 104 9.693 -1.846 -1.721 1.00 0.57 C ATOM 0 H LEU A 104 6.994 0.962 -2.033 1.00 0.43 H new ATOM 0 HA LEU A 104 9.402 0.092 -3.467 1.00 0.45 H new ATOM 0 HB2 LEU A 104 6.643 -1.166 -3.252 1.00 0.50 H new ATOM 0 HB3 LEU A 104 8.026 -1.861 -4.074 1.00 0.50 H new ATOM 0 HG LEU A 104 7.706 -1.338 -1.113 1.00 0.55 H new ATOM 0 HD11 LEU A 104 8.066 -3.834 -1.003 1.00 0.62 H new ATOM 0 HD12 LEU A 104 6.668 -3.423 -2.023 1.00 0.62 H new ATOM 0 HD13 LEU A 104 8.218 -3.868 -2.776 1.00 0.62 H new ATOM 0 HD21 LEU A 104 9.949 -2.330 -0.778 1.00 0.57 H new ATOM 0 HD22 LEU A 104 10.186 -2.366 -2.542 1.00 0.57 H new ATOM 0 HD23 LEU A 104 10.025 -0.808 -1.698 1.00 0.57 H new ATOM 1683 N THR A 105 8.703 0.583 -5.819 1.00 0.40 N ATOM 1684 CA THR A 105 8.430 1.134 -7.136 1.00 0.41 C ATOM 1685 C THR A 105 7.225 0.433 -7.772 1.00 0.48 C ATOM 1686 O THR A 105 6.138 0.994 -7.858 1.00 0.70 O ATOM 1687 CB THR A 105 9.694 1.000 -8.001 1.00 0.41 C ATOM 1688 OG1 THR A 105 10.140 -0.345 -8.005 1.00 0.44 O ATOM 1689 CG2 THR A 105 10.819 1.889 -7.467 1.00 0.53 C ATOM 0 H THR A 105 9.571 0.051 -5.763 1.00 0.40 H new ATOM 0 HA THR A 105 8.174 2.190 -7.054 1.00 0.41 H new ATOM 0 HB THR A 105 9.440 1.313 -9.014 1.00 0.41 H new ATOM 0 HG1 THR A 105 10.625 -0.531 -7.174 1.00 0.44 H new ATOM 0 HG21 THR A 105 11.702 1.776 -8.096 1.00 0.53 H new ATOM 0 HG22 THR A 105 10.496 2.930 -7.478 1.00 0.53 H new ATOM 0 HG23 THR A 105 11.061 1.595 -6.446 1.00 0.53 H new ATOM 1697 N GLY A 106 7.452 -0.787 -8.256 1.00 0.52 N ATOM 1698 CA GLY A 106 6.502 -1.563 -9.046 1.00 0.73 C ATOM 1699 C GLY A 106 6.548 -1.208 -10.537 1.00 0.81 C ATOM 1700 O GLY A 106 5.742 -1.718 -11.309 1.00 1.20 O ATOM 0 H GLY A 106 8.333 -1.278 -8.103 1.00 0.52 H new ATOM 0 HA2 GLY A 106 6.714 -2.625 -8.922 1.00 0.73 H new ATOM 0 HA3 GLY A 106 5.495 -1.393 -8.666 1.00 0.73 H new ATOM 1704 N TYR A 107 7.474 -0.326 -10.940 1.00 0.71 N ATOM 1705 CA TYR A 107 7.676 0.141 -12.303 1.00 0.88 C ATOM 1706 C TYR A 107 6.365 0.548 -12.984 1.00 1.07 C ATOM 1707 O TYR A 107 5.349 0.785 -12.334 1.00 1.28 O ATOM 1708 CB TYR A 107 8.492 -0.899 -13.091 1.00 1.17 C ATOM 1709 CG TYR A 107 9.548 -0.314 -14.009 1.00 1.38 C ATOM 1710 CD1 TYR A 107 10.687 0.298 -13.449 1.00 2.02 C ATOM 1711 CD2 TYR A 107 9.435 -0.431 -15.407 1.00 2.54 C ATOM 1712 CE1 TYR A 107 11.687 0.823 -14.284 1.00 2.34 C ATOM 1713 CE2 TYR A 107 10.436 0.098 -16.240 1.00 2.77 C ATOM 1714 CZ TYR A 107 11.562 0.723 -15.678 1.00 2.14 C ATOM 1715 OH TYR A 107 12.539 1.234 -16.480 1.00 2.57 O ATOM 0 H TYR A 107 8.131 0.097 -10.285 1.00 0.71 H new ATOM 0 HA TYR A 107 8.260 1.061 -12.278 1.00 0.88 H new ATOM 0 HB2 TYR A 107 8.977 -1.571 -12.384 1.00 1.17 H new ATOM 0 HB3 TYR A 107 7.807 -1.503 -13.686 1.00 1.17 H new ATOM 0 HD1 TYR A 107 10.791 0.364 -12.376 1.00 2.02 H new ATOM 0 HD2 TYR A 107 8.579 -0.927 -15.840 1.00 2.54 H new ATOM 0 HE1 TYR A 107 12.553 1.304 -13.853 1.00 2.34 H new ATOM 0 HE2 TYR A 107 10.340 0.024 -17.313 1.00 2.77 H new ATOM 0 HH TYR A 107 12.303 1.083 -17.419 1.00 2.57 H new ATOM 1725 N SER A 108 6.385 0.680 -14.309 1.00 1.37 N ATOM 1726 CA SER A 108 5.139 0.876 -15.028 1.00 1.49 C ATOM 1727 C SER A 108 4.223 -0.322 -14.816 1.00 0.90 C ATOM 1728 O SER A 108 4.674 -1.431 -14.514 1.00 0.70 O ATOM 1729 CB SER A 108 5.345 1.050 -16.530 1.00 2.10 C ATOM 1730 OG SER A 108 6.127 2.192 -16.817 1.00 3.56 O ATOM 0 H SER A 108 7.225 0.655 -14.887 1.00 1.37 H new ATOM 0 HA SER A 108 4.696 1.790 -14.632 1.00 1.49 H new ATOM 0 HB2 SER A 108 5.831 0.163 -16.937 1.00 2.10 H new ATOM 0 HB3 SER A 108 4.377 1.137 -17.023 1.00 2.10 H new ATOM 0 HG SER A 108 5.604 2.819 -17.359 1.00 3.56 H new ATOM 1736 N GLN A 109 2.946 -0.062 -15.085 1.00 1.10 N ATOM 1737 CA GLN A 109 1.820 -0.971 -15.065 1.00 1.04 C ATOM 1738 C GLN A 109 2.264 -2.392 -15.392 1.00 0.88 C ATOM 1739 O GLN A 109 2.084 -3.275 -14.573 1.00 1.05 O ATOM 1740 CB GLN A 109 0.739 -0.480 -16.038 1.00 1.37 C ATOM 1741 CG GLN A 109 0.023 0.795 -15.570 1.00 1.97 C ATOM 1742 CD GLN A 109 0.926 2.019 -15.469 1.00 1.78 C ATOM 1743 OE1 GLN A 109 1.823 2.209 -16.287 1.00 3.03 O ATOM 1744 NE2 GLN A 109 0.749 2.845 -14.458 1.00 2.31 N ATOM 0 H GLN A 109 2.654 0.880 -15.346 1.00 1.10 H new ATOM 0 HA GLN A 109 1.395 -0.989 -14.061 1.00 1.04 H new ATOM 0 HB2 GLN A 109 1.195 -0.294 -17.011 1.00 1.37 H new ATOM 0 HB3 GLN A 109 0.001 -1.270 -16.177 1.00 1.37 H new ATOM 0 HG2 GLN A 109 -0.792 1.015 -16.260 1.00 1.97 H new ATOM 0 HG3 GLN A 109 -0.427 0.608 -14.595 1.00 1.97 H new ATOM 0 HE21 GLN A 109 0.000 2.676 -13.786 1.00 2.31 H new ATOM 0 HE22 GLN A 109 1.360 3.654 -14.347 1.00 2.31 H new ATOM 1753 N SER A 110 2.908 -2.602 -16.539 1.00 0.87 N ATOM 1754 CA SER A 110 3.272 -3.922 -17.028 1.00 0.97 C ATOM 1755 C SER A 110 3.991 -4.803 -15.998 1.00 1.01 C ATOM 1756 O SER A 110 3.755 -6.008 -15.966 1.00 1.31 O ATOM 1757 CB SER A 110 4.085 -3.741 -18.307 1.00 1.18 C ATOM 1758 OG SER A 110 3.452 -2.747 -19.094 1.00 1.57 O ATOM 0 H SER A 110 3.194 -1.846 -17.161 1.00 0.87 H new ATOM 0 HA SER A 110 2.355 -4.474 -17.235 1.00 0.97 H new ATOM 0 HB2 SER A 110 5.107 -3.445 -18.070 1.00 1.18 H new ATOM 0 HB3 SER A 110 4.145 -4.681 -18.856 1.00 1.18 H new ATOM 0 HG SER A 110 3.959 -2.613 -19.922 1.00 1.57 H new ATOM 1764 N GLU A 111 4.874 -4.232 -15.172 1.00 0.89 N ATOM 1765 CA GLU A 111 5.553 -4.945 -14.116 1.00 1.01 C ATOM 1766 C GLU A 111 4.555 -5.294 -13.006 1.00 1.04 C ATOM 1767 O GLU A 111 4.335 -6.462 -12.690 1.00 1.36 O ATOM 1768 CB GLU A 111 6.670 -4.006 -13.658 1.00 0.99 C ATOM 1769 CG GLU A 111 7.713 -4.671 -12.772 1.00 1.84 C ATOM 1770 CD GLU A 111 7.554 -4.360 -11.284 1.00 3.12 C ATOM 1771 OE1 GLU A 111 6.609 -4.902 -10.677 1.00 4.27 O ATOM 1772 OE2 GLU A 111 8.399 -3.594 -10.768 1.00 3.82 O ATOM 0 H GLU A 111 5.132 -3.247 -15.230 1.00 0.89 H new ATOM 0 HA GLU A 111 5.976 -5.898 -14.432 1.00 1.01 H new ATOM 0 HB2 GLU A 111 7.165 -3.592 -14.536 1.00 0.99 H new ATOM 0 HB3 GLU A 111 6.228 -3.169 -13.117 1.00 0.99 H new ATOM 0 HG2 GLU A 111 7.661 -5.750 -12.915 1.00 1.84 H new ATOM 0 HG3 GLU A 111 8.705 -4.354 -13.095 1.00 1.84 H new ATOM 1779 N ILE A 112 3.909 -4.267 -12.450 1.00 0.87 N ATOM 1780 CA ILE A 112 3.035 -4.420 -11.293 1.00 1.10 C ATOM 1781 C ILE A 112 1.741 -5.178 -11.632 1.00 1.31 C ATOM 1782 O ILE A 112 1.134 -5.760 -10.741 1.00 1.43 O ATOM 1783 CB ILE A 112 2.804 -3.047 -10.626 1.00 1.15 C ATOM 1784 CG1 ILE A 112 1.930 -3.108 -9.362 1.00 1.51 C ATOM 1785 CG2 ILE A 112 2.238 -1.988 -11.581 1.00 1.13 C ATOM 1786 CD1 ILE A 112 2.614 -2.419 -8.180 1.00 1.10 C ATOM 0 H ILE A 112 3.979 -3.308 -12.791 1.00 0.87 H new ATOM 0 HA ILE A 112 3.530 -5.054 -10.557 1.00 1.10 H new ATOM 0 HB ILE A 112 3.808 -2.743 -10.330 1.00 1.15 H new ATOM 0 HG12 ILE A 112 0.970 -2.631 -9.558 1.00 1.51 H new ATOM 0 HG13 ILE A 112 1.724 -4.148 -9.110 1.00 1.51 H new ATOM 0 HG21 ILE A 112 2.101 -1.049 -11.044 1.00 1.13 H new ATOM 0 HG22 ILE A 112 2.932 -1.835 -12.408 1.00 1.13 H new ATOM 0 HG23 ILE A 112 1.278 -2.326 -11.971 1.00 1.13 H new ATOM 0 HD11 ILE A 112 1.971 -2.479 -7.302 1.00 1.10 H new ATOM 0 HD12 ILE A 112 3.562 -2.913 -7.970 1.00 1.10 H new ATOM 0 HD13 ILE A 112 2.797 -1.373 -8.425 1.00 1.10 H new ATOM 1798 N GLU A 113 1.304 -5.180 -12.892 1.00 1.39 N ATOM 1799 CA GLU A 113 -0.022 -5.579 -13.344 1.00 1.39 C ATOM 1800 C GLU A 113 -0.553 -6.822 -12.629 1.00 1.20 C ATOM 1801 O GLU A 113 -1.594 -6.747 -11.984 1.00 1.04 O ATOM 1802 CB GLU A 113 -0.037 -5.720 -14.877 1.00 1.66 C ATOM 1803 CG GLU A 113 -0.699 -4.499 -15.535 1.00 1.65 C ATOM 1804 CD GLU A 113 -0.476 -4.459 -17.042 1.00 2.40 C ATOM 1805 OE1 GLU A 113 -0.790 -5.481 -17.687 1.00 2.97 O ATOM 1806 OE2 GLU A 113 -0.001 -3.406 -17.524 1.00 3.28 O ATOM 0 H GLU A 113 1.902 -4.886 -13.664 1.00 1.39 H new ATOM 0 HA GLU A 113 -0.718 -4.786 -13.070 1.00 1.39 H new ATOM 0 HB2 GLU A 113 0.983 -5.828 -15.246 1.00 1.66 H new ATOM 0 HB3 GLU A 113 -0.575 -6.625 -15.157 1.00 1.66 H new ATOM 0 HG2 GLU A 113 -1.769 -4.514 -15.329 1.00 1.65 H new ATOM 0 HG3 GLU A 113 -0.301 -3.588 -15.087 1.00 1.65 H new ATOM 1813 N GLU A 114 0.152 -7.951 -12.720 1.00 1.36 N ATOM 1814 CA GLU A 114 -0.279 -9.200 -12.106 1.00 1.36 C ATOM 1815 C GLU A 114 -0.363 -9.077 -10.580 1.00 1.15 C ATOM 1816 O GLU A 114 -1.349 -9.492 -9.962 1.00 1.14 O ATOM 1817 CB GLU A 114 0.658 -10.318 -12.540 1.00 1.63 C ATOM 1818 CG GLU A 114 0.108 -11.700 -12.170 1.00 1.91 C ATOM 1819 CD GLU A 114 0.993 -12.822 -12.696 1.00 1.97 C ATOM 1820 OE1 GLU A 114 2.228 -12.668 -12.588 1.00 2.72 O ATOM 1821 OE2 GLU A 114 0.415 -13.807 -13.203 1.00 2.30 O ATOM 0 H GLU A 114 1.037 -8.021 -13.222 1.00 1.36 H new ATOM 0 HA GLU A 114 -1.287 -9.439 -12.446 1.00 1.36 H new ATOM 0 HB2 GLU A 114 0.812 -10.265 -13.618 1.00 1.63 H new ATOM 0 HB3 GLU A 114 1.632 -10.178 -12.072 1.00 1.63 H new ATOM 0 HG2 GLU A 114 0.026 -11.780 -11.086 1.00 1.91 H new ATOM 0 HG3 GLU A 114 -0.898 -11.811 -12.575 1.00 1.91 H new ATOM 1828 N PHE A 115 0.679 -8.492 -9.983 1.00 1.04 N ATOM 1829 CA PHE A 115 0.763 -8.281 -8.548 1.00 0.91 C ATOM 1830 C PHE A 115 -0.454 -7.473 -8.096 1.00 0.70 C ATOM 1831 O PHE A 115 -1.236 -7.958 -7.278 1.00 0.70 O ATOM 1832 CB PHE A 115 2.099 -7.612 -8.189 1.00 0.93 C ATOM 1833 CG PHE A 115 2.181 -7.106 -6.763 1.00 0.86 C ATOM 1834 CD1 PHE A 115 1.995 -7.987 -5.685 1.00 2.14 C ATOM 1835 CD2 PHE A 115 2.412 -5.741 -6.514 1.00 1.62 C ATOM 1836 CE1 PHE A 115 1.989 -7.492 -4.370 1.00 2.09 C ATOM 1837 CE2 PHE A 115 2.377 -5.242 -5.204 1.00 1.71 C ATOM 1838 CZ PHE A 115 2.122 -6.112 -4.131 1.00 0.91 C ATOM 0 H PHE A 115 1.493 -8.150 -10.494 1.00 1.04 H new ATOM 0 HA PHE A 115 0.745 -9.232 -8.015 1.00 0.91 H new ATOM 0 HB2 PHE A 115 2.906 -8.326 -8.355 1.00 0.93 H new ATOM 0 HB3 PHE A 115 2.268 -6.777 -8.869 1.00 0.93 H new ATOM 0 HD1 PHE A 115 1.857 -9.043 -5.866 1.00 2.14 H new ATOM 0 HD2 PHE A 115 2.618 -5.073 -7.337 1.00 1.62 H new ATOM 0 HE1 PHE A 115 1.882 -8.174 -3.539 1.00 2.09 H new ATOM 0 HE2 PHE A 115 2.546 -4.191 -5.020 1.00 1.71 H new ATOM 0 HZ PHE A 115 2.029 -5.723 -3.128 1.00 0.91 H new ATOM 1848 N ALA A 116 -0.646 -6.284 -8.683 1.00 0.63 N ATOM 1849 CA ALA A 116 -1.825 -5.463 -8.487 1.00 0.65 C ATOM 1850 C ALA A 116 -3.084 -6.304 -8.648 1.00 0.77 C ATOM 1851 O ALA A 116 -3.947 -6.255 -7.780 1.00 0.83 O ATOM 1852 CB ALA A 116 -1.831 -4.286 -9.464 1.00 1.10 C ATOM 0 H ALA A 116 0.034 -5.867 -9.318 1.00 0.63 H new ATOM 0 HA ALA A 116 -1.805 -5.061 -7.474 1.00 0.65 H new ATOM 0 HB1 ALA A 116 -2.724 -3.682 -9.301 1.00 1.10 H new ATOM 0 HB2 ALA A 116 -0.944 -3.674 -9.301 1.00 1.10 H new ATOM 0 HB3 ALA A 116 -1.830 -4.662 -10.487 1.00 1.10 H new ATOM 1858 N LEU A 117 -3.203 -7.063 -9.741 1.00 0.89 N ATOM 1859 CA LEU A 117 -4.373 -7.874 -10.047 1.00 1.04 C ATOM 1860 C LEU A 117 -4.803 -8.692 -8.846 1.00 0.90 C ATOM 1861 O LEU A 117 -5.911 -8.534 -8.331 1.00 0.88 O ATOM 1862 CB LEU A 117 -4.131 -8.792 -11.257 1.00 1.45 C ATOM 1863 CG LEU A 117 -5.298 -8.897 -12.250 1.00 1.75 C ATOM 1864 CD1 LEU A 117 -6.617 -9.267 -11.563 1.00 1.70 C ATOM 1865 CD2 LEU A 117 -5.447 -7.618 -13.077 1.00 1.98 C ATOM 0 H LEU A 117 -2.471 -7.129 -10.449 1.00 0.89 H new ATOM 0 HA LEU A 117 -5.178 -7.185 -10.304 1.00 1.04 H new ATOM 0 HB2 LEU A 117 -3.252 -8.434 -11.793 1.00 1.45 H new ATOM 0 HB3 LEU A 117 -3.896 -9.792 -10.892 1.00 1.45 H new ATOM 0 HG LEU A 117 -5.054 -9.712 -12.932 1.00 1.75 H new ATOM 0 HD11 LEU A 117 -7.410 -9.329 -12.308 1.00 1.70 H new ATOM 0 HD12 LEU A 117 -6.510 -10.231 -11.066 1.00 1.70 H new ATOM 0 HD13 LEU A 117 -6.870 -8.505 -10.826 1.00 1.70 H new ATOM 0 HD21 LEU A 117 -6.282 -7.727 -13.769 1.00 1.98 H new ATOM 0 HD22 LEU A 117 -5.635 -6.775 -12.412 1.00 1.98 H new ATOM 0 HD23 LEU A 117 -4.531 -7.440 -13.640 1.00 1.98 H new ATOM 1877 N LYS A 118 -3.914 -9.584 -8.423 1.00 1.05 N ATOM 1878 CA LYS A 118 -4.232 -10.515 -7.366 1.00 1.24 C ATOM 1879 C LYS A 118 -4.378 -9.766 -6.043 1.00 1.15 C ATOM 1880 O LYS A 118 -5.295 -10.060 -5.275 1.00 1.34 O ATOM 1881 CB LYS A 118 -3.155 -11.595 -7.319 1.00 1.54 C ATOM 1882 CG LYS A 118 -3.265 -12.654 -8.427 1.00 1.77 C ATOM 1883 CD LYS A 118 -4.598 -13.425 -8.469 1.00 3.00 C ATOM 1884 CE LYS A 118 -5.106 -13.942 -7.110 1.00 4.97 C ATOM 1885 NZ LYS A 118 -4.206 -14.922 -6.469 1.00 5.89 N ATOM 0 H LYS A 118 -2.971 -9.676 -8.800 1.00 1.05 H new ATOM 0 HA LYS A 118 -5.186 -11.006 -7.556 1.00 1.24 H new ATOM 0 HB2 LYS A 118 -2.177 -11.118 -7.386 1.00 1.54 H new ATOM 0 HB3 LYS A 118 -3.201 -12.094 -6.351 1.00 1.54 H new ATOM 0 HG2 LYS A 118 -3.116 -12.166 -9.390 1.00 1.77 H new ATOM 0 HG3 LYS A 118 -2.453 -13.371 -8.304 1.00 1.77 H new ATOM 0 HD2 LYS A 118 -5.360 -12.776 -8.899 1.00 3.00 H new ATOM 0 HD3 LYS A 118 -4.486 -14.274 -9.143 1.00 3.00 H new ATOM 0 HE2 LYS A 118 -5.243 -13.095 -6.438 1.00 4.97 H new ATOM 0 HE3 LYS A 118 -6.085 -14.400 -7.249 1.00 4.97 H new ATOM 0 HZ1 LYS A 118 -4.697 -15.375 -5.672 1.00 5.89 H new ATOM 0 HZ2 LYS A 118 -3.931 -15.647 -7.163 1.00 5.89 H new ATOM 0 HZ3 LYS A 118 -3.355 -14.436 -6.121 1.00 5.89 H new ATOM 1899 N SER A 119 -3.503 -8.786 -5.792 1.00 0.96 N ATOM 1900 CA SER A 119 -3.508 -8.054 -4.542 1.00 1.05 C ATOM 1901 C SER A 119 -4.806 -7.265 -4.386 1.00 1.10 C ATOM 1902 O SER A 119 -5.594 -7.521 -3.479 1.00 1.28 O ATOM 1903 CB SER A 119 -2.250 -7.169 -4.440 1.00 0.96 C ATOM 1904 OG SER A 119 -2.302 -5.987 -5.215 1.00 2.67 O ATOM 0 H SER A 119 -2.782 -8.488 -6.449 1.00 0.96 H new ATOM 0 HA SER A 119 -3.471 -8.756 -3.709 1.00 1.05 H new ATOM 0 HB2 SER A 119 -2.095 -6.898 -3.396 1.00 0.96 H new ATOM 0 HB3 SER A 119 -1.383 -7.754 -4.749 1.00 0.96 H new ATOM 0 HG SER A 119 -2.738 -5.277 -4.700 1.00 2.67 H new ATOM 1910 N PHE A 120 -4.985 -6.261 -5.246 1.00 1.04 N ATOM 1911 CA PHE A 120 -5.915 -5.153 -5.043 1.00 1.26 C ATOM 1912 C PHE A 120 -6.739 -4.844 -6.295 1.00 1.52 C ATOM 1913 O PHE A 120 -7.595 -3.972 -6.211 1.00 2.53 O ATOM 1914 CB PHE A 120 -5.168 -3.863 -4.638 1.00 1.24 C ATOM 1915 CG PHE A 120 -4.201 -3.890 -3.463 1.00 1.24 C ATOM 1916 CD1 PHE A 120 -4.282 -4.858 -2.446 1.00 1.72 C ATOM 1917 CD2 PHE A 120 -3.242 -2.866 -3.348 1.00 2.86 C ATOM 1918 CE1 PHE A 120 -3.256 -4.968 -1.492 1.00 1.70 C ATOM 1919 CE2 PHE A 120 -2.316 -2.880 -2.291 1.00 2.93 C ATOM 1920 CZ PHE A 120 -2.276 -3.968 -1.405 1.00 1.38 C ATOM 0 H PHE A 120 -4.473 -6.196 -6.126 1.00 1.04 H new ATOM 0 HA PHE A 120 -6.584 -5.473 -4.244 1.00 1.26 H new ATOM 0 HB2 PHE A 120 -4.611 -3.521 -5.511 1.00 1.24 H new ATOM 0 HB3 PHE A 120 -5.921 -3.104 -4.423 1.00 1.24 H new ATOM 0 HD1 PHE A 120 -5.135 -5.519 -2.398 1.00 1.72 H new ATOM 0 HD2 PHE A 120 -3.218 -2.067 -4.074 1.00 2.86 H new ATOM 0 HE1 PHE A 120 -3.222 -5.819 -0.828 1.00 1.70 H new ATOM 0 HE2 PHE A 120 -1.634 -2.053 -2.160 1.00 2.93 H new ATOM 0 HZ PHE A 120 -1.496 -4.035 -0.661 1.00 1.38 H new ATOM 1930 N LYS A 121 -6.442 -5.454 -7.449 1.00 1.08 N ATOM 1931 CA LYS A 121 -6.861 -5.124 -8.820 1.00 1.55 C ATOM 1932 C LYS A 121 -6.709 -3.669 -9.271 1.00 1.82 C ATOM 1933 O LYS A 121 -7.184 -3.280 -10.337 1.00 3.01 O ATOM 1934 CB LYS A 121 -8.165 -5.817 -9.256 1.00 2.08 C ATOM 1935 CG LYS A 121 -9.350 -5.610 -8.314 1.00 2.31 C ATOM 1936 CD LYS A 121 -9.786 -4.142 -8.190 1.00 2.57 C ATOM 1937 CE LYS A 121 -10.767 -3.972 -7.021 1.00 2.55 C ATOM 1938 NZ LYS A 121 -10.142 -4.340 -5.731 1.00 3.32 N ATOM 0 H LYS A 121 -5.839 -6.277 -7.447 1.00 1.08 H new ATOM 0 HA LYS A 121 -6.079 -5.591 -9.419 1.00 1.55 H new ATOM 0 HB2 LYS A 121 -8.439 -5.453 -10.246 1.00 2.08 H new ATOM 0 HB3 LYS A 121 -7.977 -6.887 -9.350 1.00 2.08 H new ATOM 0 HG2 LYS A 121 -10.193 -6.202 -8.669 1.00 2.31 H new ATOM 0 HG3 LYS A 121 -9.088 -5.988 -7.326 1.00 2.31 H new ATOM 0 HD2 LYS A 121 -8.913 -3.508 -8.035 1.00 2.57 H new ATOM 0 HD3 LYS A 121 -10.256 -3.816 -9.118 1.00 2.57 H new ATOM 0 HE2 LYS A 121 -11.109 -2.938 -6.979 1.00 2.55 H new ATOM 0 HE3 LYS A 121 -11.647 -4.592 -7.190 1.00 2.55 H new ATOM 0 HZ1 LYS A 121 -10.734 -3.996 -4.948 1.00 3.32 H new ATOM 0 HZ2 LYS A 121 -10.054 -5.375 -5.670 1.00 3.32 H new ATOM 0 HZ3 LYS A 121 -9.198 -3.908 -5.667 1.00 3.32 H new ATOM 1952 N ALA A 122 -6.005 -2.870 -8.483 1.00 1.19 N ATOM 1953 CA ALA A 122 -5.822 -1.454 -8.729 1.00 1.45 C ATOM 1954 C ALA A 122 -4.657 -1.217 -9.693 1.00 1.35 C ATOM 1955 O ALA A 122 -3.664 -0.595 -9.317 1.00 2.30 O ATOM 1956 CB ALA A 122 -5.595 -0.753 -7.389 1.00 1.76 C ATOM 0 H ALA A 122 -5.537 -3.198 -7.638 1.00 1.19 H new ATOM 0 HA ALA A 122 -6.712 -1.040 -9.202 1.00 1.45 H new ATOM 0 HB1 ALA A 122 -5.455 0.315 -7.556 1.00 1.76 H new ATOM 0 HB2 ALA A 122 -6.461 -0.909 -6.745 1.00 1.76 H new ATOM 0 HB3 ALA A 122 -4.707 -1.164 -6.909 1.00 1.76 H new ATOM 1962 N ILE A 123 -4.766 -1.684 -10.942 1.00 1.63 N ATOM 1963 CA ILE A 123 -3.901 -1.136 -11.987 1.00 1.52 C ATOM 1964 C ILE A 123 -4.415 0.278 -12.251 1.00 1.24 C ATOM 1965 O ILE A 123 -5.613 0.530 -12.121 1.00 2.11 O ATOM 1966 CB ILE A 123 -3.873 -1.959 -13.291 1.00 2.71 C ATOM 1967 CG1 ILE A 123 -3.820 -3.478 -13.056 1.00 4.23 C ATOM 1968 CG2 ILE A 123 -2.666 -1.537 -14.148 1.00 3.54 C ATOM 1969 CD1 ILE A 123 -4.395 -4.223 -14.263 1.00 5.50 C ATOM 0 H ILE A 123 -5.416 -2.409 -11.244 1.00 1.63 H new ATOM 0 HA ILE A 123 -2.867 -1.156 -11.641 1.00 1.52 H new ATOM 0 HB ILE A 123 -4.809 -1.749 -13.808 1.00 2.71 H new ATOM 0 HG12 ILE A 123 -2.790 -3.790 -12.884 1.00 4.23 H new ATOM 0 HG13 ILE A 123 -4.385 -3.734 -12.159 1.00 4.23 H new ATOM 0 HG21 ILE A 123 -2.651 -2.121 -15.068 1.00 3.54 H new ATOM 0 HG22 ILE A 123 -2.746 -0.478 -14.392 1.00 3.54 H new ATOM 0 HG23 ILE A 123 -1.745 -1.713 -13.591 1.00 3.54 H new ATOM 0 HD11 ILE A 123 -4.351 -5.297 -14.082 1.00 5.50 H new ATOM 0 HD12 ILE A 123 -5.432 -3.923 -14.416 1.00 5.50 H new ATOM 0 HD13 ILE A 123 -3.812 -3.980 -15.152 1.00 5.50 H new ATOM 2201 N SER A 138 -6.040 2.954 0.120 1.00 1.78 N ATOM 2202 CA SER A 138 -6.600 2.380 1.340 1.00 1.35 C ATOM 2203 C SER A 138 -5.520 1.506 1.984 1.00 1.16 C ATOM 2204 O SER A 138 -4.588 1.092 1.293 1.00 1.38 O ATOM 2205 CB SER A 138 -7.851 1.559 0.997 1.00 1.27 C ATOM 2206 OG SER A 138 -8.790 2.336 0.273 1.00 1.58 O ATOM 0 HA SER A 138 -6.900 3.160 2.039 1.00 1.35 H new ATOM 0 HB2 SER A 138 -7.567 0.686 0.409 1.00 1.27 H new ATOM 0 HB3 SER A 138 -8.310 1.190 1.914 1.00 1.27 H new ATOM 0 HG SER A 138 -9.418 2.756 0.897 1.00 1.58 H new ATOM 2212 N PHE A 139 -5.632 1.226 3.285 1.00 0.90 N ATOM 2213 CA PHE A 139 -4.683 0.357 3.972 1.00 0.81 C ATOM 2214 C PHE A 139 -5.021 -1.100 3.664 1.00 0.75 C ATOM 2215 O PHE A 139 -6.200 -1.424 3.546 1.00 0.77 O ATOM 2216 CB PHE A 139 -4.786 0.540 5.487 1.00 0.89 C ATOM 2217 CG PHE A 139 -3.934 1.651 6.052 1.00 0.89 C ATOM 2218 CD1 PHE A 139 -2.533 1.512 6.046 1.00 2.02 C ATOM 2219 CD2 PHE A 139 -4.533 2.683 6.793 1.00 2.07 C ATOM 2220 CE1 PHE A 139 -1.740 2.358 6.836 1.00 1.85 C ATOM 2221 CE2 PHE A 139 -3.744 3.492 7.626 1.00 2.27 C ATOM 2222 CZ PHE A 139 -2.351 3.318 7.657 1.00 1.05 C ATOM 0 H PHE A 139 -6.374 1.591 3.882 1.00 0.90 H new ATOM 0 HA PHE A 139 -3.679 0.612 3.632 1.00 0.81 H new ATOM 0 HB2 PHE A 139 -5.827 0.733 5.745 1.00 0.89 H new ATOM 0 HB3 PHE A 139 -4.506 -0.395 5.971 1.00 0.89 H new ATOM 0 HD1 PHE A 139 -2.068 0.754 5.433 1.00 2.02 H new ATOM 0 HD2 PHE A 139 -5.597 2.854 6.722 1.00 2.07 H new ATOM 0 HE1 PHE A 139 -0.664 2.271 6.812 1.00 1.85 H new ATOM 0 HE2 PHE A 139 -4.208 4.248 8.243 1.00 2.27 H new ATOM 0 HZ PHE A 139 -1.748 3.925 8.315 1.00 1.05 H new ATOM 2232 N TYR A 140 -4.000 -1.960 3.597 1.00 0.75 N ATOM 2233 CA TYR A 140 -4.105 -3.402 3.406 1.00 0.80 C ATOM 2234 C TYR A 140 -3.088 -4.088 4.337 1.00 0.88 C ATOM 2235 O TYR A 140 -1.899 -4.113 4.038 1.00 1.36 O ATOM 2236 CB TYR A 140 -3.831 -3.728 1.923 1.00 0.86 C ATOM 2237 CG TYR A 140 -5.055 -3.688 1.021 1.00 0.92 C ATOM 2238 CD1 TYR A 140 -5.663 -2.465 0.687 1.00 1.62 C ATOM 2239 CD2 TYR A 140 -5.643 -4.887 0.576 1.00 2.42 C ATOM 2240 CE1 TYR A 140 -6.937 -2.453 0.091 1.00 1.68 C ATOM 2241 CE2 TYR A 140 -6.900 -4.877 -0.042 1.00 2.66 C ATOM 2242 CZ TYR A 140 -7.590 -3.666 -0.179 1.00 1.55 C ATOM 2243 OH TYR A 140 -8.933 -3.686 -0.387 1.00 2.13 O ATOM 0 H TYR A 140 -3.032 -1.650 3.679 1.00 0.75 H new ATOM 0 HA TYR A 140 -5.102 -3.766 3.653 1.00 0.80 H new ATOM 0 HB2 TYR A 140 -3.093 -3.022 1.541 1.00 0.86 H new ATOM 0 HB3 TYR A 140 -3.384 -4.720 1.861 1.00 0.86 H new ATOM 0 HD1 TYR A 140 -5.152 -1.535 0.888 1.00 1.62 H new ATOM 0 HD2 TYR A 140 -5.121 -5.822 0.712 1.00 2.42 H new ATOM 0 HE1 TYR A 140 -7.411 -1.515 -0.158 1.00 1.68 H new ATOM 0 HE2 TYR A 140 -7.333 -5.795 -0.410 1.00 2.66 H new ATOM 0 HH TYR A 140 -9.394 -3.839 0.464 1.00 2.13 H new ATOM 2253 N LEU A 141 -3.520 -4.650 5.471 1.00 0.54 N ATOM 2254 CA LEU A 141 -2.658 -5.415 6.374 1.00 0.51 C ATOM 2255 C LEU A 141 -2.458 -6.809 5.801 1.00 0.47 C ATOM 2256 O LEU A 141 -3.376 -7.634 5.802 1.00 0.44 O ATOM 2257 CB LEU A 141 -3.252 -5.463 7.786 1.00 0.52 C ATOM 2258 CG LEU A 141 -2.490 -6.370 8.783 1.00 0.50 C ATOM 2259 CD1 LEU A 141 -2.670 -5.786 10.188 1.00 0.73 C ATOM 2260 CD2 LEU A 141 -3.025 -7.814 8.809 1.00 0.77 C ATOM 0 H LEU A 141 -4.487 -4.585 5.789 1.00 0.54 H new ATOM 0 HA LEU A 141 -1.687 -4.926 6.457 1.00 0.51 H new ATOM 0 HB2 LEU A 141 -3.280 -4.450 8.187 1.00 0.52 H new ATOM 0 HB3 LEU A 141 -4.284 -5.808 7.719 1.00 0.52 H new ATOM 0 HG LEU A 141 -1.447 -6.402 8.467 1.00 0.50 H new ATOM 0 HD11 LEU A 141 -2.142 -6.408 10.911 1.00 0.73 H new ATOM 0 HD12 LEU A 141 -2.266 -4.774 10.216 1.00 0.73 H new ATOM 0 HD13 LEU A 141 -3.731 -5.760 10.438 1.00 0.73 H new ATOM 0 HD21 LEU A 141 -2.452 -8.402 9.526 1.00 0.77 H new ATOM 0 HD22 LEU A 141 -4.075 -7.808 9.102 1.00 0.77 H new ATOM 0 HD23 LEU A 141 -2.928 -8.256 7.817 1.00 0.77 H new ATOM 2272 N VAL A 142 -1.243 -7.058 5.315 1.00 0.47 N ATOM 2273 CA VAL A 142 -0.886 -8.293 4.662 1.00 0.43 C ATOM 2274 C VAL A 142 -0.379 -9.271 5.714 1.00 0.43 C ATOM 2275 O VAL A 142 0.539 -8.968 6.478 1.00 0.49 O ATOM 2276 CB VAL A 142 0.149 -8.046 3.564 1.00 0.47 C ATOM 2277 CG1 VAL A 142 0.312 -9.340 2.758 1.00 0.51 C ATOM 2278 CG2 VAL A 142 -0.269 -6.908 2.626 1.00 0.59 C ATOM 0 H VAL A 142 -0.475 -6.389 5.370 1.00 0.47 H new ATOM 0 HA VAL A 142 -1.760 -8.724 4.174 1.00 0.43 H new ATOM 0 HB VAL A 142 1.089 -7.753 4.032 1.00 0.47 H new ATOM 0 HG11 VAL A 142 1.047 -9.186 1.968 1.00 0.51 H new ATOM 0 HG12 VAL A 142 0.650 -10.139 3.418 1.00 0.51 H new ATOM 0 HG13 VAL A 142 -0.645 -9.616 2.315 1.00 0.51 H new ATOM 0 HG21 VAL A 142 0.495 -6.767 1.862 1.00 0.59 H new ATOM 0 HG22 VAL A 142 -1.217 -7.159 2.150 1.00 0.59 H new ATOM 0 HG23 VAL A 142 -0.383 -5.988 3.199 1.00 0.59 H new ATOM 2288 N GLY A 143 -1.009 -10.444 5.756 1.00 0.46 N ATOM 2289 CA GLY A 143 -0.630 -11.515 6.645 1.00 0.51 C ATOM 2290 C GLY A 143 0.648 -12.215 6.191 1.00 0.51 C ATOM 2291 O GLY A 143 1.309 -11.795 5.241 1.00 0.58 O ATOM 0 H GLY A 143 -1.806 -10.669 5.161 1.00 0.46 H new ATOM 0 HA2 GLY A 143 -0.487 -11.118 7.650 1.00 0.51 H new ATOM 0 HA3 GLY A 143 -1.440 -12.242 6.702 1.00 0.51 H new ATOM 2295 N PRO A 144 0.974 -13.321 6.866 1.00 0.61 N ATOM 2296 CA PRO A 144 2.249 -13.986 6.766 1.00 0.67 C ATOM 2297 C PRO A 144 2.384 -14.687 5.418 1.00 0.73 C ATOM 2298 O PRO A 144 3.488 -14.763 4.892 1.00 1.04 O ATOM 2299 CB PRO A 144 2.264 -14.946 7.955 1.00 0.81 C ATOM 2300 CG PRO A 144 0.801 -15.348 8.110 1.00 0.94 C ATOM 2301 CD PRO A 144 0.082 -14.048 7.746 1.00 0.78 C ATOM 0 HA PRO A 144 3.101 -13.307 6.805 1.00 0.67 H new ATOM 0 HB2 PRO A 144 2.899 -15.811 7.764 1.00 0.81 H new ATOM 0 HB3 PRO A 144 2.645 -14.463 8.855 1.00 0.81 H new ATOM 0 HG2 PRO A 144 0.529 -16.167 7.444 1.00 0.94 H new ATOM 0 HG3 PRO A 144 0.571 -15.673 9.125 1.00 0.94 H new ATOM 0 HD2 PRO A 144 -0.868 -14.254 7.252 1.00 0.78 H new ATOM 0 HD3 PRO A 144 -0.143 -13.465 8.639 1.00 0.78 H new ATOM 2309 N ASP A 145 1.276 -15.189 4.862 1.00 0.81 N ATOM 2310 CA ASP A 145 1.229 -15.891 3.587 1.00 0.84 C ATOM 2311 C ASP A 145 1.459 -14.920 2.427 1.00 0.90 C ATOM 2312 O ASP A 145 2.054 -15.288 1.417 1.00 1.54 O ATOM 2313 CB ASP A 145 -0.131 -16.599 3.362 1.00 1.27 C ATOM 2314 CG ASP A 145 -0.985 -16.862 4.594 1.00 1.78 C ATOM 2315 OD1 ASP A 145 -1.211 -15.898 5.356 1.00 3.11 O ATOM 2316 OD2 ASP A 145 -1.520 -17.985 4.720 1.00 2.67 O ATOM 0 H ASP A 145 0.361 -15.112 5.306 1.00 0.81 H new ATOM 0 HA ASP A 145 2.019 -16.641 3.619 1.00 0.84 H new ATOM 0 HB2 ASP A 145 -0.716 -15.997 2.667 1.00 1.27 H new ATOM 0 HB3 ASP A 145 0.061 -17.554 2.873 1.00 1.27 H new ATOM 2321 N GLY A 146 0.897 -13.711 2.545 1.00 0.72 N ATOM 2322 CA GLY A 146 0.643 -12.807 1.430 1.00 0.77 C ATOM 2323 C GLY A 146 -0.846 -12.453 1.313 1.00 0.73 C ATOM 2324 O GLY A 146 -1.202 -11.530 0.585 1.00 0.92 O ATOM 0 H GLY A 146 0.601 -13.330 3.444 1.00 0.72 H new ATOM 0 HA2 GLY A 146 1.225 -11.895 1.562 1.00 0.77 H new ATOM 0 HA3 GLY A 146 0.981 -13.269 0.503 1.00 0.77 H new ATOM 2328 N LYS A 147 -1.733 -13.159 2.025 1.00 0.79 N ATOM 2329 CA LYS A 147 -3.151 -12.818 2.047 1.00 0.73 C ATOM 2330 C LYS A 147 -3.414 -11.656 3.003 1.00 0.61 C ATOM 2331 O LYS A 147 -2.933 -11.657 4.136 1.00 0.67 O ATOM 2332 CB LYS A 147 -4.024 -14.036 2.340 1.00 0.81 C ATOM 2333 CG LYS A 147 -3.941 -14.449 3.808 1.00 0.84 C ATOM 2334 CD LYS A 147 -4.284 -15.928 3.996 1.00 0.88 C ATOM 2335 CE LYS A 147 -4.309 -16.269 5.495 1.00 1.37 C ATOM 2336 NZ LYS A 147 -3.943 -17.676 5.741 1.00 1.69 N ATOM 0 H LYS A 147 -1.488 -13.970 2.593 1.00 0.79 H new ATOM 0 HA LYS A 147 -3.435 -12.482 1.050 1.00 0.73 H new ATOM 0 HB2 LYS A 147 -5.059 -13.812 2.083 1.00 0.81 H new ATOM 0 HB3 LYS A 147 -3.711 -14.868 1.709 1.00 0.81 H new ATOM 0 HG2 LYS A 147 -2.936 -14.257 4.185 1.00 0.84 H new ATOM 0 HG3 LYS A 147 -4.625 -13.838 4.398 1.00 0.84 H new ATOM 0 HD2 LYS A 147 -5.253 -16.146 3.548 1.00 0.88 H new ATOM 0 HD3 LYS A 147 -3.549 -16.549 3.484 1.00 0.88 H new ATOM 0 HE2 LYS A 147 -3.619 -15.615 6.028 1.00 1.37 H new ATOM 0 HE3 LYS A 147 -5.304 -16.077 5.895 1.00 1.37 H new ATOM 0 HZ1 LYS A 147 -3.626 -17.785 6.725 1.00 1.69 H new ATOM 0 HZ2 LYS A 147 -4.770 -18.284 5.575 1.00 1.69 H new ATOM 0 HZ3 LYS A 147 -3.175 -17.953 5.097 1.00 1.69 H new ATOM 2350 N VAL A 148 -4.183 -10.667 2.558 1.00 0.53 N ATOM 2351 CA VAL A 148 -4.614 -9.565 3.397 1.00 0.48 C ATOM 2352 C VAL A 148 -5.801 -10.026 4.225 1.00 0.48 C ATOM 2353 O VAL A 148 -6.741 -10.596 3.668 1.00 0.56 O ATOM 2354 CB VAL A 148 -4.977 -8.353 2.535 1.00 0.53 C ATOM 2355 CG1 VAL A 148 -5.373 -7.147 3.397 1.00 0.96 C ATOM 2356 CG2 VAL A 148 -3.816 -7.999 1.596 1.00 1.13 C ATOM 0 H VAL A 148 -4.524 -10.612 1.598 1.00 0.53 H new ATOM 0 HA VAL A 148 -3.807 -9.261 4.064 1.00 0.48 H new ATOM 0 HB VAL A 148 -5.844 -8.618 1.930 1.00 0.53 H new ATOM 0 HG11 VAL A 148 -5.624 -6.305 2.752 1.00 0.96 H new ATOM 0 HG12 VAL A 148 -6.237 -7.405 4.009 1.00 0.96 H new ATOM 0 HG13 VAL A 148 -4.539 -6.872 4.043 1.00 0.96 H new ATOM 0 HG21 VAL A 148 -4.089 -7.135 0.990 1.00 1.13 H new ATOM 0 HG22 VAL A 148 -2.930 -7.763 2.186 1.00 1.13 H new ATOM 0 HG23 VAL A 148 -3.603 -8.847 0.945 1.00 1.13 H new ATOM 2366 N LEU A 149 -5.732 -9.778 5.537 1.00 0.47 N ATOM 2367 CA LEU A 149 -6.758 -10.148 6.500 1.00 0.50 C ATOM 2368 C LEU A 149 -7.593 -8.955 6.952 1.00 0.51 C ATOM 2369 O LEU A 149 -8.767 -9.134 7.266 1.00 0.63 O ATOM 2370 CB LEU A 149 -6.114 -10.831 7.700 1.00 0.55 C ATOM 2371 CG LEU A 149 -5.476 -12.159 7.262 1.00 0.64 C ATOM 2372 CD1 LEU A 149 -3.955 -12.090 7.368 1.00 1.20 C ATOM 2373 CD2 LEU A 149 -6.013 -13.288 8.132 1.00 0.78 C ATOM 0 H LEU A 149 -4.937 -9.301 5.963 1.00 0.47 H new ATOM 0 HA LEU A 149 -7.440 -10.839 6.004 1.00 0.50 H new ATOM 0 HB2 LEU A 149 -5.357 -10.180 8.138 1.00 0.55 H new ATOM 0 HB3 LEU A 149 -6.862 -11.013 8.471 1.00 0.55 H new ATOM 0 HG LEU A 149 -5.734 -12.348 6.220 1.00 0.64 H new ATOM 0 HD11 LEU A 149 -3.525 -13.041 7.053 1.00 1.20 H new ATOM 0 HD12 LEU A 149 -3.581 -11.292 6.726 1.00 1.20 H new ATOM 0 HD13 LEU A 149 -3.671 -11.888 8.401 1.00 1.20 H new ATOM 0 HD21 LEU A 149 -5.562 -14.231 7.823 1.00 0.78 H new ATOM 0 HD22 LEU A 149 -5.766 -13.092 9.175 1.00 0.78 H new ATOM 0 HD23 LEU A 149 -7.096 -13.350 8.021 1.00 0.78 H new ATOM 2385 N LYS A 150 -6.995 -7.762 6.995 1.00 0.46 N ATOM 2386 CA LYS A 150 -7.648 -6.523 7.401 1.00 0.50 C ATOM 2387 C LYS A 150 -7.294 -5.417 6.404 1.00 0.51 C ATOM 2388 O LYS A 150 -6.131 -5.307 6.024 1.00 0.55 O ATOM 2389 CB LYS A 150 -7.165 -6.133 8.805 1.00 0.70 C ATOM 2390 CG LYS A 150 -7.894 -6.850 9.951 1.00 0.84 C ATOM 2391 CD LYS A 150 -9.295 -6.307 10.290 1.00 1.48 C ATOM 2392 CE LYS A 150 -9.315 -4.850 10.797 1.00 2.64 C ATOM 2393 NZ LYS A 150 -9.302 -3.868 9.696 1.00 4.14 N ATOM 0 H LYS A 150 -6.016 -7.632 6.741 1.00 0.46 H new ATOM 0 HA LYS A 150 -8.729 -6.661 7.418 1.00 0.50 H new ATOM 0 HB2 LYS A 150 -6.099 -6.345 8.881 1.00 0.70 H new ATOM 0 HB3 LYS A 150 -7.286 -5.057 8.931 1.00 0.70 H new ATOM 0 HG2 LYS A 150 -7.985 -7.906 9.696 1.00 0.84 H new ATOM 0 HG3 LYS A 150 -7.274 -6.790 10.846 1.00 0.84 H new ATOM 0 HD2 LYS A 150 -9.922 -6.377 9.401 1.00 1.48 H new ATOM 0 HD3 LYS A 150 -9.745 -6.948 11.048 1.00 1.48 H new ATOM 0 HE2 LYS A 150 -10.204 -4.694 11.408 1.00 2.64 H new ATOM 0 HE3 LYS A 150 -8.452 -4.681 11.441 1.00 2.64 H new ATOM 0 HZ1 LYS A 150 -8.450 -3.276 9.769 1.00 4.14 H new ATOM 0 HZ2 LYS A 150 -9.299 -4.369 8.784 1.00 4.14 H new ATOM 0 HZ3 LYS A 150 -10.148 -3.266 9.758 1.00 4.14 H new ATOM 2407 N ASP A 151 -8.269 -4.579 6.054 1.00 0.59 N ATOM 2408 CA ASP A 151 -8.099 -3.287 5.398 1.00 0.64 C ATOM 2409 C ASP A 151 -8.300 -2.182 6.449 1.00 1.00 C ATOM 2410 O ASP A 151 -8.460 -2.475 7.636 1.00 1.72 O ATOM 2411 CB ASP A 151 -9.071 -3.144 4.212 1.00 0.82 C ATOM 2412 CG ASP A 151 -8.734 -4.018 3.009 1.00 1.10 C ATOM 2413 OD1 ASP A 151 -7.613 -4.564 2.974 1.00 1.97 O ATOM 2414 OD2 ASP A 151 -9.596 -4.106 2.104 1.00 2.04 O ATOM 0 H ASP A 151 -9.250 -4.796 6.231 1.00 0.59 H new ATOM 0 HA ASP A 151 -7.095 -3.202 4.983 1.00 0.64 H new ATOM 0 HB2 ASP A 151 -10.077 -3.388 4.552 1.00 0.82 H new ATOM 0 HB3 ASP A 151 -9.086 -2.101 3.895 1.00 0.82 H new ATOM 2419 N TYR A 152 -8.187 -0.910 6.050 1.00 0.77 N ATOM 2420 CA TYR A 152 -8.704 0.246 6.782 1.00 0.82 C ATOM 2421 C TYR A 152 -8.763 1.427 5.804 1.00 0.74 C ATOM 2422 O TYR A 152 -8.066 1.404 4.786 1.00 0.83 O ATOM 2423 CB TYR A 152 -7.910 0.554 8.063 1.00 1.10 C ATOM 2424 CG TYR A 152 -8.459 1.714 8.873 1.00 2.08 C ATOM 2425 CD1 TYR A 152 -9.799 1.693 9.306 1.00 2.85 C ATOM 2426 CD2 TYR A 152 -7.651 2.826 9.172 1.00 3.70 C ATOM 2427 CE1 TYR A 152 -10.352 2.815 9.944 1.00 4.47 C ATOM 2428 CE2 TYR A 152 -8.195 3.934 9.843 1.00 5.17 C ATOM 2429 CZ TYR A 152 -9.551 3.935 10.215 1.00 5.42 C ATOM 2430 OH TYR A 152 -10.092 5.014 10.845 1.00 7.14 O ATOM 0 H TYR A 152 -7.718 -0.652 5.182 1.00 0.77 H new ATOM 0 HA TYR A 152 -9.707 0.029 7.150 1.00 0.82 H new ATOM 0 HB2 TYR A 152 -7.895 -0.337 8.690 1.00 1.10 H new ATOM 0 HB3 TYR A 152 -6.877 0.771 7.793 1.00 1.10 H new ATOM 0 HD1 TYR A 152 -10.403 0.812 9.147 1.00 2.85 H new ATOM 0 HD2 TYR A 152 -6.610 2.828 8.885 1.00 3.70 H new ATOM 0 HE1 TYR A 152 -11.394 2.816 10.226 1.00 4.47 H new ATOM 0 HE2 TYR A 152 -7.571 4.785 10.073 1.00 5.17 H new ATOM 0 HH TYR A 152 -9.406 5.704 10.959 1.00 7.14 H new ATOM 2440 N ASN A 153 -9.550 2.471 6.099 1.00 0.78 N ATOM 2441 CA ASN A 153 -9.788 3.563 5.174 1.00 0.90 C ATOM 2442 C ASN A 153 -9.804 4.909 5.902 1.00 1.37 C ATOM 2443 O ASN A 153 -10.781 5.645 5.853 1.00 2.70 O ATOM 2444 CB ASN A 153 -11.110 3.298 4.453 1.00 1.19 C ATOM 2445 CG ASN A 153 -11.067 4.006 3.113 1.00 1.88 C ATOM 2446 OD1 ASN A 153 -10.473 3.508 2.158 1.00 2.95 O ATOM 2447 ND2 ASN A 153 -11.600 5.213 3.063 1.00 1.74 N ATOM 0 H ASN A 153 -10.036 2.572 6.990 1.00 0.78 H new ATOM 0 HA ASN A 153 -8.980 3.616 4.445 1.00 0.90 H new ATOM 0 HB2 ASN A 153 -11.259 2.227 4.313 1.00 1.19 H new ATOM 0 HB3 ASN A 153 -11.948 3.661 5.048 1.00 1.19 H new ATOM 0 HD21 ASN A 153 -11.527 5.768 2.210 1.00 1.74 H new ATOM 0 HD22 ASN A 153 -12.085 5.591 3.877 1.00 1.74 H new ATOM 2520 N PRO A 159 -14.278 1.235 5.899 1.00 1.20 N ATOM 2521 CA PRO A 159 -12.961 0.721 6.252 1.00 0.98 C ATOM 2522 C PRO A 159 -12.375 -0.192 5.185 1.00 1.02 C ATOM 2523 O PRO A 159 -11.172 -0.420 5.195 1.00 1.41 O ATOM 2524 CB PRO A 159 -13.135 -0.029 7.575 1.00 1.13 C ATOM 2525 CG PRO A 159 -14.616 -0.406 7.584 1.00 1.20 C ATOM 2526 CD PRO A 159 -15.274 0.749 6.830 1.00 1.27 C ATOM 0 HA PRO A 159 -12.254 1.546 6.341 1.00 0.98 H new ATOM 0 HB2 PRO A 159 -12.497 -0.911 7.622 1.00 1.13 H new ATOM 0 HB3 PRO A 159 -12.876 0.598 8.428 1.00 1.13 H new ATOM 0 HG2 PRO A 159 -14.791 -1.362 7.090 1.00 1.20 H new ATOM 0 HG3 PRO A 159 -15.002 -0.496 8.599 1.00 1.20 H new ATOM 0 HD2 PRO A 159 -16.168 0.413 6.305 1.00 1.27 H new ATOM 0 HD3 PRO A 159 -15.584 1.537 7.516 1.00 1.27 H new ATOM 2534 N TYR A 160 -13.232 -0.735 4.317 1.00 0.95 N ATOM 2535 CA TYR A 160 -13.014 -1.725 3.295 1.00 1.16 C ATOM 2536 C TYR A 160 -13.045 -3.113 3.907 1.00 1.38 C ATOM 2537 O TYR A 160 -13.520 -3.996 3.223 1.00 1.48 O ATOM 2538 CB TYR A 160 -11.748 -1.503 2.460 1.00 1.59 C ATOM 2539 CG TYR A 160 -11.803 -0.539 1.292 1.00 1.73 C ATOM 2540 CD1 TYR A 160 -12.767 0.481 1.198 1.00 2.28 C ATOM 2541 CD2 TYR A 160 -10.874 -0.714 0.253 1.00 2.86 C ATOM 2542 CE1 TYR A 160 -12.839 1.276 0.039 1.00 2.62 C ATOM 2543 CE2 TYR A 160 -10.954 0.071 -0.906 1.00 3.05 C ATOM 2544 CZ TYR A 160 -11.925 1.080 -1.011 1.00 2.41 C ATOM 2545 OH TYR A 160 -12.035 1.803 -2.168 1.00 2.94 O ATOM 0 H TYR A 160 -14.210 -0.446 4.328 1.00 0.95 H new ATOM 0 HA TYR A 160 -13.833 -1.622 2.583 1.00 1.16 H new ATOM 0 HB2 TYR A 160 -10.964 -1.159 3.135 1.00 1.59 H new ATOM 0 HB3 TYR A 160 -11.434 -2.472 2.073 1.00 1.59 H new ATOM 0 HD1 TYR A 160 -13.452 0.654 2.015 1.00 2.28 H new ATOM 0 HD2 TYR A 160 -10.095 -1.456 0.347 1.00 2.86 H new ATOM 0 HE1 TYR A 160 -13.599 2.039 -0.044 1.00 2.62 H new ATOM 0 HE2 TYR A 160 -10.266 -0.101 -1.721 1.00 3.05 H new ATOM 0 HH TYR A 160 -11.321 1.541 -2.786 1.00 2.94 H new ATOM 2555 N ASP A 161 -12.800 -3.313 5.204 1.00 1.60 N ATOM 2556 CA ASP A 161 -12.867 -4.657 5.772 1.00 1.95 C ATOM 2557 C ASP A 161 -14.203 -5.311 5.456 1.00 1.66 C ATOM 2558 O ASP A 161 -14.264 -6.396 4.888 1.00 1.67 O ATOM 2559 CB ASP A 161 -12.751 -4.594 7.289 1.00 2.53 C ATOM 2560 CG ASP A 161 -11.429 -4.102 7.790 1.00 3.04 C ATOM 2561 OD1 ASP A 161 -10.426 -4.815 7.578 1.00 3.64 O ATOM 2562 OD2 ASP A 161 -11.395 -3.059 8.479 1.00 3.71 O ATOM 0 H ASP A 161 -12.558 -2.577 5.867 1.00 1.60 H new ATOM 0 HA ASP A 161 -12.048 -5.232 5.340 1.00 1.95 H new ATOM 0 HB2 ASP A 161 -13.536 -3.944 7.674 1.00 2.53 H new ATOM 0 HB3 ASP A 161 -12.933 -5.589 7.696 1.00 2.53 H new ATOM 2567 N ASP A 162 -15.256 -4.577 5.799 1.00 1.53 N ATOM 2568 CA ASP A 162 -16.646 -4.969 5.703 1.00 1.59 C ATOM 2569 C ASP A 162 -16.934 -5.234 4.234 1.00 1.22 C ATOM 2570 O ASP A 162 -17.003 -6.375 3.799 1.00 1.23 O ATOM 2571 CB ASP A 162 -17.506 -3.846 6.306 1.00 1.77 C ATOM 2572 CG ASP A 162 -18.942 -3.881 5.810 1.00 2.40 C ATOM 2573 OD1 ASP A 162 -19.688 -4.781 6.243 1.00 3.55 O ATOM 2574 OD2 ASP A 162 -19.247 -2.997 4.981 1.00 3.00 O ATOM 0 H ASP A 162 -15.148 -3.635 6.174 1.00 1.53 H new ATOM 0 HA ASP A 162 -16.878 -5.876 6.260 1.00 1.59 H new ATOM 0 HB2 ASP A 162 -17.498 -3.931 7.393 1.00 1.77 H new ATOM 0 HB3 ASP A 162 -17.063 -2.881 6.059 1.00 1.77 H new ATOM 2579 N ILE A 163 -17.016 -4.151 3.473 1.00 1.05 N ATOM 2580 CA ILE A 163 -17.209 -4.098 2.033 1.00 0.97 C ATOM 2581 C ILE A 163 -16.425 -5.201 1.299 1.00 0.87 C ATOM 2582 O ILE A 163 -16.995 -6.056 0.625 1.00 0.95 O ATOM 2583 CB ILE A 163 -16.812 -2.701 1.524 1.00 1.02 C ATOM 2584 CG1 ILE A 163 -17.410 -1.585 2.397 1.00 1.14 C ATOM 2585 CG2 ILE A 163 -17.267 -2.521 0.069 1.00 1.39 C ATOM 2586 CD1 ILE A 163 -16.378 -1.001 3.376 1.00 1.04 C ATOM 0 H ILE A 163 -16.944 -3.218 3.878 1.00 1.05 H new ATOM 0 HA ILE A 163 -18.262 -4.279 1.819 1.00 0.97 H new ATOM 0 HB ILE A 163 -15.726 -2.626 1.581 1.00 1.02 H new ATOM 0 HG12 ILE A 163 -17.792 -0.790 1.757 1.00 1.14 H new ATOM 0 HG13 ILE A 163 -18.258 -1.979 2.957 1.00 1.14 H new ATOM 0 HG21 ILE A 163 -16.981 -1.529 -0.282 1.00 1.39 H new ATOM 0 HG22 ILE A 163 -16.793 -3.277 -0.557 1.00 1.39 H new ATOM 0 HG23 ILE A 163 -18.350 -2.628 0.011 1.00 1.39 H new ATOM 0 HD11 ILE A 163 -16.845 -0.217 3.972 1.00 1.04 H new ATOM 0 HD12 ILE A 163 -16.015 -1.790 4.035 1.00 1.04 H new ATOM 0 HD13 ILE A 163 -15.542 -0.582 2.816 1.00 1.04 H new ATOM 2598 N ILE A 164 -15.096 -5.166 1.375 1.00 0.90 N ATOM 2599 CA ILE A 164 -14.224 -6.076 0.670 1.00 1.04 C ATOM 2600 C ILE A 164 -14.440 -7.502 1.158 1.00 0.97 C ATOM 2601 O ILE A 164 -14.631 -8.369 0.313 1.00 0.98 O ATOM 2602 CB ILE A 164 -12.766 -5.599 0.758 1.00 1.37 C ATOM 2603 CG1 ILE A 164 -12.510 -4.460 -0.236 1.00 1.66 C ATOM 2604 CG2 ILE A 164 -11.778 -6.733 0.486 1.00 1.63 C ATOM 2605 CD1 ILE A 164 -13.479 -3.281 -0.176 1.00 1.63 C ATOM 0 H ILE A 164 -14.593 -4.485 1.944 1.00 0.90 H new ATOM 0 HA ILE A 164 -14.473 -6.081 -0.391 1.00 1.04 H new ATOM 0 HB ILE A 164 -12.610 -5.242 1.776 1.00 1.37 H new ATOM 0 HG12 ILE A 164 -11.501 -4.082 -0.072 1.00 1.66 H new ATOM 0 HG13 ILE A 164 -12.535 -4.873 -1.244 1.00 1.66 H new ATOM 0 HG21 ILE A 164 -10.759 -6.353 0.558 1.00 1.63 H new ATOM 0 HG22 ILE A 164 -11.923 -7.525 1.220 1.00 1.63 H new ATOM 0 HG23 ILE A 164 -11.947 -7.131 -0.515 1.00 1.63 H new ATOM 0 HD11 ILE A 164 -13.197 -2.540 -0.924 1.00 1.63 H new ATOM 0 HD12 ILE A 164 -14.492 -3.632 -0.376 1.00 1.63 H new ATOM 0 HD13 ILE A 164 -13.441 -2.829 0.815 1.00 1.63 H new ATOM 2617 N SER A 165 -14.424 -7.769 2.470 1.00 1.07 N ATOM 2618 CA SER A 165 -14.708 -9.112 2.972 1.00 1.24 C ATOM 2619 C SER A 165 -16.038 -9.588 2.402 1.00 1.11 C ATOM 2620 O SER A 165 -16.118 -10.709 1.906 1.00 1.17 O ATOM 2621 CB SER A 165 -14.751 -9.152 4.507 1.00 1.64 C ATOM 2622 OG SER A 165 -14.968 -10.470 4.976 1.00 2.50 O ATOM 0 H SER A 165 -14.219 -7.079 3.193 1.00 1.07 H new ATOM 0 HA SER A 165 -13.903 -9.773 2.651 1.00 1.24 H new ATOM 0 HB2 SER A 165 -13.814 -8.769 4.910 1.00 1.64 H new ATOM 0 HB3 SER A 165 -15.545 -8.498 4.869 1.00 1.64 H new ATOM 0 HG SER A 165 -14.105 -10.915 5.113 1.00 2.50 H new ATOM 2628 N ASP A 166 -17.062 -8.733 2.416 1.00 1.09 N ATOM 2629 CA ASP A 166 -18.379 -9.105 1.919 1.00 1.27 C ATOM 2630 C ASP A 166 -18.277 -9.533 0.456 1.00 1.19 C ATOM 2631 O ASP A 166 -18.564 -10.678 0.101 1.00 1.32 O ATOM 2632 CB ASP A 166 -19.369 -7.951 2.095 1.00 1.41 C ATOM 2633 CG ASP A 166 -20.705 -8.330 1.472 1.00 1.74 C ATOM 2634 OD1 ASP A 166 -21.478 -9.032 2.158 1.00 2.37 O ATOM 2635 OD2 ASP A 166 -20.904 -7.955 0.296 1.00 2.52 O ATOM 0 H ASP A 166 -17.000 -7.778 2.768 1.00 1.09 H new ATOM 0 HA ASP A 166 -18.754 -9.948 2.499 1.00 1.27 H new ATOM 0 HB2 ASP A 166 -19.500 -7.728 3.154 1.00 1.41 H new ATOM 0 HB3 ASP A 166 -18.979 -7.048 1.625 1.00 1.41 H new ATOM 2640 N VAL A 167 -17.805 -8.627 -0.398 1.00 1.09 N ATOM 2641 CA VAL A 167 -17.800 -8.844 -1.832 1.00 1.27 C ATOM 2642 C VAL A 167 -16.842 -9.985 -2.214 1.00 1.11 C ATOM 2643 O VAL A 167 -17.125 -10.755 -3.130 1.00 1.28 O ATOM 2644 CB VAL A 167 -17.503 -7.511 -2.545 1.00 1.50 C ATOM 2645 CG1 VAL A 167 -17.564 -7.660 -4.069 1.00 1.96 C ATOM 2646 CG2 VAL A 167 -18.568 -6.455 -2.197 1.00 1.73 C ATOM 0 H VAL A 167 -17.418 -7.728 -0.111 1.00 1.09 H new ATOM 0 HA VAL A 167 -18.783 -9.174 -2.168 1.00 1.27 H new ATOM 0 HB VAL A 167 -16.508 -7.213 -2.216 1.00 1.50 H new ATOM 0 HG11 VAL A 167 -17.349 -6.699 -4.537 1.00 1.96 H new ATOM 0 HG12 VAL A 167 -16.826 -8.394 -4.393 1.00 1.96 H new ATOM 0 HG13 VAL A 167 -18.560 -7.992 -4.363 1.00 1.96 H new ATOM 0 HG21 VAL A 167 -18.337 -5.522 -2.712 1.00 1.73 H new ATOM 0 HG22 VAL A 167 -19.549 -6.810 -2.512 1.00 1.73 H new ATOM 0 HG23 VAL A 167 -18.572 -6.284 -1.121 1.00 1.73 H new ATOM 2656 N LYS A 168 -15.669 -10.093 -1.581 1.00 0.91 N ATOM 2657 CA LYS A 168 -14.725 -11.191 -1.801 1.00 0.92 C ATOM 2658 C LYS A 168 -15.242 -12.507 -1.227 1.00 0.90 C ATOM 2659 O LYS A 168 -14.922 -13.574 -1.764 1.00 0.96 O ATOM 2660 CB LYS A 168 -13.323 -10.855 -1.272 1.00 1.19 C ATOM 2661 CG LYS A 168 -12.418 -10.224 -2.344 1.00 1.85 C ATOM 2662 CD LYS A 168 -12.884 -8.849 -2.846 1.00 2.58 C ATOM 2663 CE LYS A 168 -13.243 -8.818 -4.343 1.00 3.05 C ATOM 2664 NZ LYS A 168 -14.495 -9.533 -4.668 1.00 4.12 N ATOM 0 H LYS A 168 -15.346 -9.412 -0.894 1.00 0.91 H new ATOM 0 HA LYS A 168 -14.638 -11.322 -2.880 1.00 0.92 H new ATOM 0 HB2 LYS A 168 -13.412 -10.170 -0.429 1.00 1.19 H new ATOM 0 HB3 LYS A 168 -12.854 -11.764 -0.896 1.00 1.19 H new ATOM 0 HG2 LYS A 168 -11.411 -10.126 -1.939 1.00 1.85 H new ATOM 0 HG3 LYS A 168 -12.355 -10.904 -3.194 1.00 1.85 H new ATOM 0 HD2 LYS A 168 -13.754 -8.538 -2.268 1.00 2.58 H new ATOM 0 HD3 LYS A 168 -12.098 -8.119 -2.656 1.00 2.58 H new ATOM 0 HE2 LYS A 168 -13.333 -7.780 -4.665 1.00 3.05 H new ATOM 0 HE3 LYS A 168 -12.425 -9.258 -4.913 1.00 3.05 H new ATOM 0 HZ1 LYS A 168 -14.891 -9.155 -5.552 1.00 4.12 H new ATOM 0 HZ2 LYS A 168 -14.296 -10.547 -4.784 1.00 4.12 H new ATOM 0 HZ3 LYS A 168 -15.180 -9.401 -3.897 1.00 4.12 H new ATOM 2678 N SER A 169 -16.045 -12.446 -0.165 1.00 1.04 N ATOM 2679 CA SER A 169 -16.702 -13.627 0.347 1.00 1.35 C ATOM 2680 C SER A 169 -17.682 -14.117 -0.716 1.00 1.45 C ATOM 2681 O SER A 169 -17.547 -15.220 -1.243 1.00 1.56 O ATOM 2682 CB SER A 169 -17.362 -13.369 1.710 1.00 1.70 C ATOM 2683 OG SER A 169 -17.980 -14.547 2.185 1.00 2.06 O ATOM 0 H SER A 169 -16.250 -11.589 0.350 1.00 1.04 H new ATOM 0 HA SER A 169 -15.972 -14.413 0.540 1.00 1.35 H new ATOM 0 HB2 SER A 169 -16.614 -13.029 2.426 1.00 1.70 H new ATOM 0 HB3 SER A 169 -18.101 -12.573 1.619 1.00 1.70 H new ATOM 0 HG SER A 169 -18.396 -14.371 3.055 1.00 2.06 H new ATOM 2689 N ALA A 170 -18.610 -13.234 -1.089 1.00 1.56 N ATOM 2690 CA ALA A 170 -19.573 -13.434 -2.161 1.00 1.84 C ATOM 2691 C ALA A 170 -18.908 -13.923 -3.451 1.00 1.75 C ATOM 2692 O ALA A 170 -19.491 -14.746 -4.149 1.00 2.00 O ATOM 2693 CB ALA A 170 -20.355 -12.139 -2.400 1.00 2.02 C ATOM 0 H ALA A 170 -18.711 -12.328 -0.632 1.00 1.56 H new ATOM 0 HA ALA A 170 -20.265 -14.218 -1.852 1.00 1.84 H new ATOM 0 HB1 ALA A 170 -21.075 -12.292 -3.204 1.00 2.02 H new ATOM 0 HB2 ALA A 170 -20.882 -11.859 -1.488 1.00 2.02 H new ATOM 0 HB3 ALA A 170 -19.664 -11.343 -2.679 1.00 2.02 H new ATOM 2699 N SER A 171 -17.703 -13.427 -3.775 1.00 1.51 N ATOM 2700 CA SER A 171 -16.954 -13.918 -4.930 1.00 1.58 C ATOM 2701 C SER A 171 -16.818 -15.445 -4.880 1.00 1.56 C ATOM 2702 O SER A 171 -17.322 -16.118 -5.772 1.00 1.97 O ATOM 2703 CB SER A 171 -15.575 -13.248 -5.053 1.00 1.63 C ATOM 2704 OG SER A 171 -15.686 -11.835 -5.090 1.00 2.20 O ATOM 0 H SER A 171 -17.233 -12.689 -3.252 1.00 1.51 H new ATOM 0 HA SER A 171 -17.521 -13.649 -5.821 1.00 1.58 H new ATOM 0 HB2 SER A 171 -14.949 -13.543 -4.211 1.00 1.63 H new ATOM 0 HB3 SER A 171 -15.078 -13.599 -5.957 1.00 1.63 H new ATOM 0 HG SER A 171 -16.218 -11.529 -4.326 1.00 2.20 H new ATOM 2710 N THR A 172 -16.116 -15.971 -3.866 1.00 1.39 N ATOM 2711 CA THR A 172 -15.902 -17.403 -3.624 1.00 1.56 C ATOM 2712 C THR A 172 -14.973 -17.583 -2.423 1.00 1.61 C ATOM 2713 O THR A 172 -14.074 -18.420 -2.426 1.00 1.61 O ATOM 2714 CB THR A 172 -15.346 -18.105 -4.874 1.00 1.99 C ATOM 2715 OG1 THR A 172 -15.056 -19.468 -4.638 1.00 2.52 O ATOM 2716 CG2 THR A 172 -14.102 -17.407 -5.438 1.00 2.93 C ATOM 0 H THR A 172 -15.664 -15.385 -3.164 1.00 1.39 H new ATOM 0 HA THR A 172 -16.861 -17.870 -3.400 1.00 1.56 H new ATOM 0 HB THR A 172 -16.141 -18.041 -5.617 1.00 1.99 H new ATOM 0 HG1 THR A 172 -14.537 -19.554 -3.811 1.00 2.52 H new ATOM 0 HG21 THR A 172 -13.751 -17.944 -6.319 1.00 2.93 H new ATOM 0 HG22 THR A 172 -14.353 -16.383 -5.713 1.00 2.93 H new ATOM 0 HG23 THR A 172 -13.316 -17.397 -4.683 1.00 2.93 H new