USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1188 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 120 HIS : no HE2:sc= -1.5 X(o=-3.9,f=-4.2) USER MOD Set 1.2: A 124 HIS : no HD1:sc= -1.41 K(o=-3.9,f=-6.4) USER MOD Set 1.3: A 130 HIS : no HD1:sc= -1.04 X(o=-3.9,f=-3.9) USER MOD Set 2.1: A 105 THR OG1 : rot 120:sc= 0.525 USER MOD Set 2.2: A 108 SER OG : rot -28:sc= 0.476 USER MOD Set 3.1: A 61 MET CE :methyl -118:sc= 0 (180deg=0) USER MOD Set 3.2: A 69 HIS : no HE2:sc= -0.281 X(o=-1.4,f=-1.7) USER MOD Set 3.3: A 84 HIS : no HD1:sc= -1.06 X(o=-1.4,f=-1.3) USER MOD Set 3.4: A 97 HIS : no HD1:sc= -0.0622 K(o=-1.4,f=-2.2) USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= 0.972 (180deg=0.294) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0358 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -42:sc= 0.602 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -167:sc= 0.447 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 108:sc= 0.868 USER MOD Single : A 28 HIS : no HE2:sc= -0.226 K(o=-0.23,f=-3.5!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.8!) USER MOD Single : A 41 MET CE :methyl 177:sc= -1.06 (180deg=-1.15) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.112 K(o=0.11,f=-2.9) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.119) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0282 K(o=-0.028,f=-0.67) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.123 K(o=-0.12,f=-11!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 86:sc=-0.00984 USER MOD Single : A 125 SER OG : rot -70:sc= 1.25 USER MOD Single : A 128 MET CE :methyl 170:sc= -1.44 (180deg=-1.78) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 138 MET CE :methyl -166:sc= -4.28! (180deg=-4.85!) USER MOD Single : A 139 TYR OH : rot 110:sc= 1.21 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 180:sc= -0.0121 USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 148 GLN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 149 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.15) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= -0.0303 USER MOD Single : A 154 GLN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot -30:sc= -0.171 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -12.477 0.564 8.610 1.00 -0.66 N ATOM 110 CA PRO A 8 -11.919 0.285 7.303 1.00 0.36 C ATOM 111 C PRO A 8 -13.013 -0.130 6.318 1.00 0.57 C ATOM 112 O PRO A 8 -14.176 -0.285 6.707 1.00 -0.57 O ATOM 113 CB PRO A 8 -10.899 -0.803 7.575 1.00 0.00 C ATOM 114 CG PRO A 8 -11.398 -1.580 8.780 1.00 0.00 C ATOM 115 CD PRO A 8 -12.309 -0.583 9.500 1.00 0.30 C ATOM 0 HA PRO A 8 -11.455 1.149 6.828 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -10.792 -1.458 6.710 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.917 -0.372 7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.942 -2.477 8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.575 -1.903 9.417 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.273 -1.038 9.729 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -11.869 -0.274 10.448 1.00 0.30 H new ATOM 123 N LYS A 9 -12.598 -0.321 5.053 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.422 -0.675 3.902 1.00 0.36 C ATOM 125 C LYS A 9 -14.092 0.597 3.382 1.00 0.57 C ATOM 126 O LYS A 9 -14.894 1.213 4.085 1.00 -0.57 O ATOM 127 CB LYS A 9 -14.464 -1.762 4.240 1.00 0.00 C ATOM 128 CG LYS A 9 -14.794 -2.621 3.018 1.00 0.00 C ATOM 129 CD LYS A 9 -16.120 -3.378 3.160 1.00 0.00 C ATOM 130 CE LYS A 9 -16.004 -4.439 4.252 1.00 0.50 C ATOM 131 NZ LYS A 9 -17.065 -5.463 4.176 1.00 -0.85 N ATOM 0 H LYS A 9 -11.615 -0.224 4.800 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.786 -1.104 3.128 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -14.083 -2.397 5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.374 -1.292 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.838 -1.985 2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.988 -3.337 2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.922 -2.681 3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.383 -3.848 2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.031 -4.925 4.177 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -16.044 -3.954 5.228 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -16.737 -6.337 4.634 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -17.917 -5.116 4.661 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -17.289 -5.658 3.179 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.754 0.999 2.155 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.385 2.142 1.508 1.00 0.36 C ATOM 147 C TRP A 10 -15.905 1.962 1.380 1.00 0.57 C ATOM 148 O TRP A 10 -16.453 0.863 1.520 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.719 2.424 0.160 1.00 0.18 C ATOM 150 CG TRP A 10 -12.243 2.685 0.208 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.276 1.752 0.049 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.535 3.947 0.432 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.040 2.358 0.068 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.137 3.713 0.282 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -11.923 5.267 0.753 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.176 4.726 0.429 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -10.967 6.284 0.942 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.597 6.015 0.790 1.00 -0.15 C ATOM 0 H TRP A 10 -13.039 0.542 1.588 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.237 3.016 2.142 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -13.898 1.574 -0.498 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.208 3.287 -0.293 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.448 0.693 -0.074 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.158 1.862 -0.061 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -12.972 5.501 0.855 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.129 4.516 0.267 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.291 7.280 1.206 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -8.870 6.797 0.950 1.00 -0.15 H new ATOM 169 N THR A 11 -16.598 3.075 1.122 1.00 -0.73 N ATOM 170 CA THR A 11 -18.057 3.125 1.074 1.00 0.36 C ATOM 171 C THR A 11 -18.607 2.369 -0.145 1.00 0.57 C ATOM 172 O THR A 11 -19.681 1.768 -0.069 1.00 -0.57 O ATOM 173 CB THR A 11 -18.514 4.598 1.070 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.166 5.218 -0.149 1.00 -0.68 O ATOM 175 CG2 THR A 11 -17.862 5.434 2.181 1.00 0.00 C ATOM 0 H THR A 11 -16.154 3.975 0.939 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.456 2.628 1.958 1.00 0.36 H new ATOM 0 HB THR A 11 -19.593 4.566 1.224 1.00 0.28 H new ATOM 0 HG1 THR A 11 -18.464 6.152 -0.138 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -18.225 6.460 2.124 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.119 5.012 3.152 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.779 5.424 2.056 1.00 0.00 H new ATOM 183 N SER A 12 -17.837 2.378 -1.239 1.00 -0.73 N ATOM 184 CA SER A 12 -18.110 1.741 -2.514 1.00 0.36 C ATOM 185 C SER A 12 -16.937 0.813 -2.817 1.00 0.57 C ATOM 186 O SER A 12 -15.793 1.105 -2.462 1.00 -0.57 O ATOM 187 CB SER A 12 -18.252 2.842 -3.584 1.00 0.28 C ATOM 188 OG SER A 12 -18.429 2.336 -4.893 1.00 -0.68 O ATOM 0 H SER A 12 -16.943 2.869 -1.247 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.032 1.160 -2.499 1.00 0.36 H new ATOM 0 HB2 SER A 12 -19.101 3.477 -3.330 1.00 0.28 H new ATOM 0 HB3 SER A 12 -17.364 3.474 -3.564 1.00 0.28 H new ATOM 0 HG SER A 12 -18.514 3.082 -5.523 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.211 -0.270 -3.550 1.00 -0.73 N ATOM 195 CA LYS A 13 -16.182 -1.160 -4.082 1.00 0.36 C ATOM 196 C LYS A 13 -15.401 -0.517 -5.233 1.00 0.57 C ATOM 197 O LYS A 13 -14.597 -1.211 -5.850 1.00 -0.57 O ATOM 198 CB LYS A 13 -16.808 -2.489 -4.539 1.00 0.00 C ATOM 199 CG LYS A 13 -17.761 -2.284 -5.731 1.00 0.00 C ATOM 200 CD LYS A 13 -18.250 -3.597 -6.346 1.00 0.00 C ATOM 201 CE LYS A 13 -17.450 -3.933 -7.611 1.00 0.50 C ATOM 202 NZ LYS A 13 -18.098 -5.007 -8.389 1.00 -0.85 N ATOM 0 H LYS A 13 -18.161 -0.553 -3.791 1.00 -0.73 H new ATOM 0 HA LYS A 13 -15.474 -1.354 -3.277 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -16.019 -3.187 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.353 -2.940 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.622 -1.701 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.253 -1.699 -6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.149 -4.404 -5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.309 -3.518 -6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.353 -3.041 -8.230 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -16.441 -4.240 -7.335 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -17.532 -5.211 -9.238 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -18.168 -5.865 -7.805 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -19.051 -4.703 -8.673 1.00 -0.85 H new ATOM 216 N VAL A 14 -15.676 0.749 -5.579 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.011 1.468 -6.650 1.00 0.36 C ATOM 218 C VAL A 14 -14.387 2.710 -6.031 1.00 0.57 C ATOM 219 O VAL A 14 -15.096 3.651 -5.663 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.964 1.818 -7.807 1.00 0.00 C ATOM 221 CG1 VAL A 14 -15.123 2.278 -9.010 1.00 0.00 C ATOM 222 CG2 VAL A 14 -16.852 0.641 -8.234 1.00 0.00 C ATOM 0 H VAL A 14 -16.386 1.306 -5.104 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.245 0.838 -7.102 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.630 2.606 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -15.783 2.530 -9.840 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.539 3.155 -8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.451 1.475 -9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.500 0.953 -9.053 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -16.225 -0.187 -8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.463 0.321 -7.390 1.00 0.00 H new ATOM 232 N VAL A 15 -13.058 2.699 -5.929 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.290 3.713 -5.217 1.00 0.36 C ATOM 234 C VAL A 15 -11.417 4.445 -6.236 1.00 0.57 C ATOM 235 O VAL A 15 -10.928 3.825 -7.181 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.457 3.017 -4.123 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.721 4.048 -3.275 1.00 0.00 C ATOM 238 CG2 VAL A 15 -12.327 2.170 -3.187 1.00 0.00 C ATOM 0 H VAL A 15 -12.478 1.972 -6.347 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.932 4.446 -4.728 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.751 2.367 -4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.138 3.539 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.054 4.632 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.444 4.712 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.697 1.699 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.063 2.808 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.840 1.400 -3.764 1.00 0.00 H new ATOM 248 N THR A 16 -11.213 5.755 -6.077 1.00 -0.73 N ATOM 249 CA THR A 16 -10.447 6.520 -7.052 1.00 0.36 C ATOM 250 C THR A 16 -8.995 6.679 -6.587 1.00 0.57 C ATOM 251 O THR A 16 -8.717 6.720 -5.389 1.00 -0.57 O ATOM 252 CB THR A 16 -11.157 7.837 -7.419 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.381 8.699 -6.319 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.506 7.577 -8.099 1.00 0.00 C ATOM 0 H THR A 16 -11.565 6.300 -5.290 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.397 5.966 -7.990 1.00 0.36 H new ATOM 0 HB THR A 16 -10.467 8.333 -8.102 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.690 8.175 -5.551 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.979 8.528 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.348 7.004 -9.013 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.151 7.014 -7.424 1.00 0.00 H new ATOM 262 N TYR A 17 -8.048 6.831 -7.518 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.648 7.083 -7.193 1.00 0.36 C ATOM 264 C TYR A 17 -6.107 8.259 -8.009 1.00 0.57 C ATOM 265 O TYR A 17 -6.644 8.590 -9.071 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.827 5.793 -7.370 1.00 0.14 C ATOM 267 CG TYR A 17 -5.714 5.281 -8.789 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -4.759 5.833 -9.664 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -6.556 4.243 -9.229 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -4.652 5.361 -10.980 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -6.480 3.792 -10.559 1.00 -0.15 C ATOM 272 CZ TYR A 17 -5.519 4.341 -11.437 1.00 0.08 C ATOM 273 OH TYR A 17 -5.422 3.884 -12.718 1.00 -0.53 O ATOM 0 H TYR A 17 -8.235 6.782 -8.519 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.561 7.374 -6.146 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.822 5.967 -6.984 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.274 5.012 -6.755 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -4.107 6.622 -9.321 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -7.261 3.793 -8.545 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -3.908 5.776 -11.644 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -7.156 3.026 -10.909 1.00 -0.15 H new ATOM 0 HH TYR A 17 -6.091 3.183 -12.867 1.00 -0.53 H new ATOM 283 N ARG A 18 -5.033 8.888 -7.515 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.318 9.948 -8.231 1.00 0.36 C ATOM 285 C ARG A 18 -2.834 9.848 -7.933 1.00 0.57 C ATOM 286 O ARG A 18 -2.403 9.987 -6.793 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.832 11.364 -7.903 1.00 0.00 C ATOM 288 CG ARG A 18 -5.038 11.698 -6.423 1.00 0.00 C ATOM 289 CD ARG A 18 -5.020 13.192 -6.108 1.00 0.33 C ATOM 290 NE ARG A 18 -5.382 13.416 -4.694 1.00 -0.84 N ATOM 291 CZ ARG A 18 -5.099 14.493 -3.947 1.00 1.20 C ATOM 292 NH1 ARG A 18 -4.487 15.551 -4.489 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -5.434 14.495 -2.653 1.00 -0.97 N ATOM 0 H ARG A 18 -4.634 8.673 -6.601 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.504 9.795 -9.294 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -4.129 12.085 -8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.781 11.509 -8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.991 11.281 -6.098 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.260 11.206 -5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.030 13.602 -6.307 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -5.719 13.717 -6.758 1.00 0.33 H new ATOM 0 HE ARG A 18 -5.905 12.670 -4.235 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -4.232 15.542 -5.477 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -4.275 16.367 -3.915 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -5.899 13.684 -2.245 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -5.225 15.308 -2.073 1.00 -0.97 H new ATOM 307 N ILE A 19 -2.025 9.635 -8.958 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.589 9.601 -8.777 1.00 0.36 C ATOM 309 C ILE A 19 -0.133 11.076 -8.880 1.00 0.57 C ATOM 310 O ILE A 19 0.139 11.589 -9.970 1.00 -0.57 O ATOM 311 CB ILE A 19 0.038 8.585 -9.753 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.638 7.186 -9.761 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.514 8.389 -9.394 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.551 6.541 -11.148 1.00 0.00 C ATOM 0 H ILE A 19 -2.339 9.484 -9.917 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.249 9.229 -7.811 1.00 0.36 H new ATOM 0 HB ILE A 19 -0.103 9.011 -10.746 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.156 6.541 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.683 7.282 -9.466 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.963 7.671 -10.081 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.037 9.342 -9.472 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.594 8.014 -8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.032 5.563 -11.125 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.055 7.176 -11.877 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.495 6.424 -11.430 1.00 0.00 H new ATOM 326 N VAL A 20 -0.186 11.785 -7.736 1.00 -0.73 N ATOM 327 CA VAL A 20 0.216 13.190 -7.556 1.00 0.36 C ATOM 328 C VAL A 20 1.651 13.409 -8.040 1.00 0.57 C ATOM 329 O VAL A 20 1.977 14.454 -8.602 1.00 -0.57 O ATOM 330 CB VAL A 20 0.046 13.606 -6.061 1.00 0.00 C ATOM 331 CG1 VAL A 20 1.301 14.122 -5.326 1.00 0.00 C ATOM 332 CG2 VAL A 20 -1.040 14.677 -5.900 1.00 0.00 C ATOM 0 H VAL A 20 -0.528 11.370 -6.869 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.432 13.825 -8.161 1.00 0.36 H new ATOM 0 HB VAL A 20 -0.219 12.657 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.042 14.375 -4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.068 13.347 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.681 15.009 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.134 14.945 -4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.768 15.561 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.992 14.287 -6.261 1.00 0.00 H new ATOM 342 N SER A 21 2.509 12.424 -7.787 1.00 -0.73 N ATOM 343 CA SER A 21 3.919 12.421 -8.115 1.00 0.36 C ATOM 344 C SER A 21 4.290 10.949 -8.287 1.00 0.57 C ATOM 345 O SER A 21 3.534 10.071 -7.872 1.00 -0.57 O ATOM 346 CB SER A 21 4.690 13.184 -7.015 1.00 0.28 C ATOM 347 OG SER A 21 6.012 12.732 -6.818 1.00 -0.68 O ATOM 0 H SER A 21 2.217 11.564 -7.323 1.00 -0.73 H new ATOM 0 HA SER A 21 4.178 12.943 -9.036 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.714 14.243 -7.272 1.00 0.28 H new ATOM 0 HB3 SER A 21 4.144 13.096 -6.076 1.00 0.28 H new ATOM 0 HG SER A 21 6.367 13.112 -5.988 1.00 -0.68 H new ATOM 353 N TYR A 22 5.441 10.688 -8.900 1.00 -0.73 N ATOM 354 CA TYR A 22 5.914 9.371 -9.298 1.00 0.36 C ATOM 355 C TYR A 22 7.369 9.257 -8.817 1.00 0.57 C ATOM 356 O TYR A 22 7.961 10.256 -8.406 1.00 -0.57 O ATOM 357 CB TYR A 22 5.814 9.223 -10.828 1.00 0.14 C ATOM 358 CG TYR A 22 4.422 9.361 -11.443 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.800 10.621 -11.528 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.763 8.238 -11.979 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.515 10.750 -12.082 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.488 8.358 -12.562 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.850 9.617 -12.604 1.00 0.08 C ATOM 364 OH TYR A 22 0.597 9.746 -13.126 1.00 -0.53 O ATOM 0 H TYR A 22 6.100 11.428 -9.143 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.312 8.576 -8.858 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.463 9.970 -11.285 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.211 8.246 -11.102 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.316 11.497 -11.164 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.243 7.271 -11.942 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.034 11.717 -12.109 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.998 7.489 -12.976 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.283 8.873 -13.442 1.00 -0.53 H new ATOM 374 N THR A 23 7.940 8.051 -8.873 1.00 -0.73 N ATOM 375 CA THR A 23 9.362 7.833 -8.613 1.00 0.36 C ATOM 376 C THR A 23 10.231 8.376 -9.769 1.00 0.57 C ATOM 377 O THR A 23 9.745 9.054 -10.680 1.00 -0.57 O ATOM 378 CB THR A 23 9.603 6.337 -8.323 1.00 0.28 C ATOM 379 OG1 THR A 23 10.885 6.137 -7.757 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.509 5.459 -9.575 1.00 0.00 C ATOM 0 H THR A 23 7.428 7.199 -9.100 1.00 -0.73 H new ATOM 0 HA THR A 23 9.666 8.394 -7.729 1.00 0.36 H new ATOM 0 HB THR A 23 8.815 6.044 -7.629 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.792 5.917 -6.806 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.688 4.419 -9.304 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.515 5.554 -10.012 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.257 5.779 -10.301 1.00 0.00 H new ATOM 388 N ARG A 24 11.518 8.008 -9.748 1.00 -0.73 N ATOM 389 CA ARG A 24 12.517 8.416 -10.729 1.00 0.36 C ATOM 390 C ARG A 24 13.276 7.240 -11.352 1.00 0.57 C ATOM 391 O ARG A 24 13.484 7.254 -12.564 1.00 -0.57 O ATOM 392 CB ARG A 24 13.498 9.374 -10.040 1.00 0.00 C ATOM 393 CG ARG A 24 14.027 10.458 -10.990 1.00 0.00 C ATOM 394 CD ARG A 24 13.588 11.829 -10.479 1.00 0.33 C ATOM 395 NE ARG A 24 14.262 12.907 -11.206 1.00 -0.84 N ATOM 396 CZ ARG A 24 13.845 14.176 -11.248 1.00 1.20 C ATOM 397 NH1 ARG A 24 12.732 14.557 -10.618 1.00 -0.97 N ATOM 398 NH2 ARG A 24 14.558 15.067 -11.932 1.00 -0.97 N ATOM 0 H ARG A 24 11.899 7.399 -9.023 1.00 -0.73 H new ATOM 0 HA ARG A 24 11.998 8.904 -11.554 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.003 9.848 -9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.337 8.804 -9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.114 10.409 -11.048 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.646 10.293 -11.998 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.509 11.932 -10.589 1.00 0.33 H new ATOM 0 HD3 ARG A 24 13.809 11.911 -9.415 1.00 0.33 H new ATOM 0 HE ARG A 24 15.112 12.672 -11.718 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 12.184 13.875 -10.093 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 12.429 15.530 -10.661 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 15.409 14.777 -12.414 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 14.254 16.040 -11.974 1.00 -0.97 H new ATOM 412 N ASP A 25 13.699 6.246 -10.548 1.00 -0.73 N ATOM 413 CA ASP A 25 14.476 5.091 -11.036 1.00 0.36 C ATOM 414 C ASP A 25 13.639 4.327 -12.078 1.00 0.57 C ATOM 415 O ASP A 25 14.134 3.991 -13.158 1.00 -0.57 O ATOM 416 CB ASP A 25 14.926 4.192 -9.852 1.00 0.06 C ATOM 417 CG ASP A 25 16.059 3.171 -10.169 1.00 0.66 C ATOM 418 OD1 ASP A 25 17.073 3.193 -9.491 1.00 -0.57 O ATOM 419 OD2 ASP A 25 15.887 2.307 -11.165 1.00 -0.65 O ATOM 0 H ASP A 25 13.513 6.221 -9.546 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.389 5.433 -11.523 1.00 0.36 H new ATOM 0 HB2 ASP A 25 15.260 4.836 -9.038 1.00 0.06 H new ATOM 0 HB3 ASP A 25 14.058 3.642 -9.488 1.00 0.06 H new ATOM 425 N LEU A 26 12.333 4.162 -11.800 1.00 -0.73 N ATOM 426 CA LEU A 26 11.388 3.490 -12.685 1.00 0.36 C ATOM 427 C LEU A 26 10.468 4.497 -13.383 1.00 0.57 C ATOM 428 O LEU A 26 10.170 5.551 -12.825 1.00 -0.57 O ATOM 429 CB LEU A 26 10.541 2.445 -11.927 1.00 0.00 C ATOM 430 CG LEU A 26 11.277 1.166 -11.494 1.00 0.00 C ATOM 431 CD1 LEU A 26 12.330 0.657 -12.497 1.00 0.00 C ATOM 432 CD2 LEU A 26 11.926 1.361 -10.128 1.00 0.00 C ATOM 0 H LEU A 26 11.906 4.501 -10.938 1.00 -0.73 H new ATOM 0 HA LEU A 26 11.978 2.971 -13.441 1.00 0.36 H new ATOM 0 HB2 LEU A 26 10.125 2.919 -11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.700 2.160 -12.560 1.00 0.00 H new ATOM 0 HG LEU A 26 10.506 0.397 -11.449 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.797 -0.248 -12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.848 0.435 -13.449 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.091 1.423 -12.645 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.443 0.446 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.642 2.181 -10.179 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.158 1.595 -9.390 1.00 0.00 H new ATOM 444 N PRO A 27 9.997 4.180 -14.604 1.00 -0.66 N ATOM 445 CA PRO A 27 9.153 5.079 -15.375 1.00 0.36 C ATOM 446 C PRO A 27 7.713 5.132 -14.843 1.00 0.57 C ATOM 447 O PRO A 27 7.223 4.197 -14.212 1.00 -0.57 O ATOM 448 CB PRO A 27 9.226 4.561 -16.815 1.00 0.00 C ATOM 449 CG PRO A 27 9.591 3.082 -16.698 1.00 0.00 C ATOM 450 CD PRO A 27 10.283 2.955 -15.343 1.00 0.30 C ATOM 0 HA PRO A 27 9.499 6.110 -15.304 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.273 4.691 -17.328 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.974 5.106 -17.391 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.704 2.451 -16.749 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.250 2.772 -17.509 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.915 2.083 -14.802 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.357 2.822 -15.469 1.00 0.30 H new ATOM 458 N HIS A 28 7.004 6.218 -15.165 1.00 -0.73 N ATOM 459 CA HIS A 28 5.644 6.494 -14.693 1.00 0.36 C ATOM 460 C HIS A 28 4.637 5.432 -15.149 1.00 0.57 C ATOM 461 O HIS A 28 3.748 5.044 -14.391 1.00 -0.57 O ATOM 462 CB HIS A 28 5.179 7.864 -15.214 1.00 0.17 C ATOM 463 CG HIS A 28 6.192 8.970 -15.067 1.00 0.18 C ATOM 464 ND1 HIS A 28 6.305 9.845 -14.015 1.00 -0.70 N ATOM 465 CD2 HIS A 28 7.190 9.275 -15.954 1.00 0.20 C ATOM 466 CE1 HIS A 28 7.371 10.633 -14.247 1.00 0.65 C ATOM 467 NE2 HIS A 28 7.945 10.319 -15.421 1.00 -0.70 N ATOM 0 H HIS A 28 7.369 6.948 -15.777 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.680 6.483 -13.604 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.917 7.767 -16.268 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.270 8.149 -14.685 1.00 0.17 H new ATOM 0 HD1 HIS A 28 5.690 9.890 -13.202 1.00 -0.70 H new ATOM 0 HD2 HIS A 28 7.363 8.790 -16.903 1.00 0.20 H new ATOM 0 HE1 HIS A 28 7.717 11.410 -13.582 1.00 0.65 H new ATOM 476 N ILE A 29 4.788 4.948 -16.388 1.00 -0.73 N ATOM 477 CA ILE A 29 3.982 3.853 -16.910 1.00 0.36 C ATOM 478 C ILE A 29 4.189 2.601 -16.050 1.00 0.57 C ATOM 479 O ILE A 29 3.218 1.926 -15.727 1.00 -0.57 O ATOM 480 CB ILE A 29 4.288 3.623 -18.413 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.354 2.569 -19.047 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.756 3.244 -18.685 1.00 0.00 C ATOM 483 CD1 ILE A 29 1.940 3.109 -19.292 1.00 0.00 C ATOM 0 H ILE A 29 5.474 5.309 -17.051 1.00 -0.73 H new ATOM 0 HA ILE A 29 2.924 4.108 -16.851 1.00 0.36 H new ATOM 0 HB ILE A 29 4.101 4.588 -18.885 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.780 2.233 -19.992 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.299 1.698 -18.394 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.902 3.097 -19.755 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.409 4.044 -18.336 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.998 2.322 -18.156 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.325 2.328 -19.739 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.500 3.420 -18.344 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.989 3.963 -19.967 1.00 0.00 H new ATOM 495 N THR A 30 5.431 2.326 -15.635 1.00 -0.73 N ATOM 496 CA THR A 30 5.753 1.219 -14.750 1.00 0.36 C ATOM 497 C THR A 30 5.181 1.497 -13.363 1.00 0.57 C ATOM 498 O THR A 30 4.645 0.569 -12.785 1.00 -0.57 O ATOM 499 CB THR A 30 7.269 0.961 -14.758 1.00 0.28 C ATOM 500 OG1 THR A 30 7.619 0.389 -16.006 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.796 0.032 -13.666 1.00 0.00 C ATOM 0 H THR A 30 6.244 2.876 -15.912 1.00 -0.73 H new ATOM 0 HA THR A 30 5.290 0.296 -15.101 1.00 0.36 H new ATOM 0 HB THR A 30 7.723 1.934 -14.573 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.584 0.219 -16.029 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.876 -0.076 -13.770 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.566 0.454 -12.687 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.323 -0.945 -13.760 1.00 0.00 H new ATOM 509 N VAL A 31 5.210 2.731 -12.842 1.00 -0.73 N ATOM 510 CA VAL A 31 4.569 3.057 -11.564 1.00 0.36 C ATOM 511 C VAL A 31 3.089 2.680 -11.609 1.00 0.57 C ATOM 512 O VAL A 31 2.656 1.923 -10.747 1.00 -0.57 O ATOM 513 CB VAL A 31 4.782 4.544 -11.216 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.890 5.066 -10.077 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.245 4.796 -10.845 1.00 0.00 C ATOM 0 H VAL A 31 5.673 3.522 -13.289 1.00 -0.73 H new ATOM 0 HA VAL A 31 5.032 2.473 -10.768 1.00 0.36 H new ATOM 0 HB VAL A 31 4.499 5.091 -12.116 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.106 6.119 -9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.842 4.952 -10.354 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.089 4.497 -9.169 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.382 5.850 -10.601 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.512 4.186 -9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.885 4.532 -11.687 1.00 0.00 H new ATOM 525 N ASP A 32 2.332 3.154 -12.607 1.00 -0.73 N ATOM 526 CA ASP A 32 0.902 2.841 -12.732 1.00 0.36 C ATOM 527 C ASP A 32 0.684 1.349 -12.992 1.00 0.57 C ATOM 528 O ASP A 32 -0.191 0.747 -12.376 1.00 -0.57 O ATOM 529 CB ASP A 32 0.286 3.686 -13.855 1.00 0.06 C ATOM 530 CG ASP A 32 -1.207 3.413 -14.095 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.491 2.587 -14.947 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -2.097 4.192 -13.488 1.00 -0.65 O ATOM 0 H ASP A 32 2.690 3.760 -13.345 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.408 3.084 -11.792 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.418 4.741 -13.616 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.832 3.498 -14.779 1.00 0.06 H new ATOM 538 N ARG A 33 1.507 0.720 -13.843 1.00 -0.73 N ATOM 539 CA ARG A 33 1.404 -0.712 -14.123 1.00 0.36 C ATOM 540 C ARG A 33 1.658 -1.545 -12.884 1.00 0.57 C ATOM 541 O ARG A 33 0.894 -2.474 -12.620 1.00 -0.57 O ATOM 542 CB ARG A 33 2.400 -1.131 -15.218 1.00 0.00 C ATOM 543 CG ARG A 33 1.814 -0.991 -16.625 1.00 0.00 C ATOM 544 CD ARG A 33 0.628 -1.953 -16.799 1.00 0.33 C ATOM 545 NE ARG A 33 0.845 -2.912 -17.891 1.00 -0.84 N ATOM 546 CZ ARG A 33 0.325 -4.146 -17.961 1.00 1.20 C ATOM 547 NH1 ARG A 33 -0.472 -4.628 -17.004 1.00 -0.97 N ATOM 548 NH2 ARG A 33 0.628 -4.930 -18.990 1.00 -0.97 N ATOM 0 H ARG A 33 2.257 1.189 -14.351 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.385 -0.892 -14.466 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.300 -0.521 -15.140 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.702 -2.166 -15.054 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.488 0.036 -16.791 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.580 -1.207 -17.370 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.464 -2.496 -15.868 1.00 0.33 H new ATOM 0 HD3 ARG A 33 -0.277 -1.379 -16.997 1.00 0.33 H new ATOM 0 HE ARG A 33 1.442 -2.613 -18.662 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -0.700 -4.053 -16.193 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -0.853 -5.571 -17.084 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 1.253 -4.592 -19.722 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 0.235 -5.870 -19.048 1.00 -0.97 H new ATOM 562 N LEU A 34 2.720 -1.225 -12.143 1.00 -0.73 N ATOM 563 CA LEU A 34 3.044 -1.868 -10.888 1.00 0.36 C ATOM 564 C LEU A 34 1.912 -1.591 -9.920 1.00 0.57 C ATOM 565 O LEU A 34 1.455 -2.549 -9.329 1.00 -0.57 O ATOM 566 CB LEU A 34 4.405 -1.408 -10.332 1.00 0.00 C ATOM 567 CG LEU A 34 5.622 -2.231 -10.820 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.619 -2.604 -12.310 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.910 -1.518 -10.410 1.00 0.00 C ATOM 0 H LEU A 34 3.384 -0.499 -12.411 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.146 -2.942 -11.042 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.558 -0.364 -10.605 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.369 -1.451 -9.243 1.00 0.00 H new ATOM 0 HG LEU A 34 5.552 -3.199 -10.324 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.516 -3.178 -12.543 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.736 -3.203 -12.533 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.603 -1.696 -12.912 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.770 -2.094 -10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.936 -0.526 -10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.944 -1.424 -9.325 1.00 0.00 H new ATOM 581 N VAL A 35 1.385 -0.365 -9.806 1.00 -0.73 N ATOM 582 CA VAL A 35 0.222 -0.088 -8.962 1.00 0.36 C ATOM 583 C VAL A 35 -0.957 -0.982 -9.355 1.00 0.57 C ATOM 584 O VAL A 35 -1.540 -1.604 -8.474 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.114 1.429 -8.948 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.562 1.817 -9.286 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.249 2.003 -7.572 1.00 0.00 C ATOM 0 H VAL A 35 1.751 0.454 -10.292 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.462 -0.342 -7.930 1.00 0.36 H new ATOM 0 HB VAL A 35 0.480 1.853 -9.758 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.668 2.901 -9.242 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.807 1.469 -10.289 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.239 1.357 -8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.018 3.068 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.326 1.490 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.313 1.859 -7.387 1.00 0.00 H new ATOM 597 N SER A 36 -1.274 -1.104 -10.649 1.00 -0.73 N ATOM 598 CA SER A 36 -2.397 -1.900 -11.120 1.00 0.36 C ATOM 599 C SER A 36 -2.157 -3.365 -10.773 1.00 0.57 C ATOM 600 O SER A 36 -3.029 -4.000 -10.198 1.00 -0.57 O ATOM 601 CB SER A 36 -2.589 -1.716 -12.638 1.00 0.28 C ATOM 602 OG SER A 36 -3.955 -1.632 -13.002 1.00 -0.68 O ATOM 0 H SER A 36 -0.752 -0.648 -11.397 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.310 -1.566 -10.628 1.00 0.36 H new ATOM 0 HB2 SER A 36 -2.074 -0.811 -12.960 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.126 -2.551 -13.164 1.00 0.28 H new ATOM 0 HG SER A 36 -4.028 -1.514 -13.972 1.00 -0.68 H new ATOM 608 N LYS A 37 -0.969 -3.907 -11.073 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.630 -5.309 -10.834 1.00 0.36 C ATOM 610 C LYS A 37 -0.497 -5.624 -9.338 1.00 0.57 C ATOM 611 O LYS A 37 -0.911 -6.707 -8.923 1.00 -0.57 O ATOM 612 CB LYS A 37 0.667 -5.620 -11.597 1.00 0.00 C ATOM 613 CG LYS A 37 0.405 -5.798 -13.108 1.00 0.00 C ATOM 614 CD LYS A 37 1.580 -5.302 -13.966 1.00 0.00 C ATOM 615 CE LYS A 37 2.026 -6.354 -14.981 1.00 0.50 C ATOM 616 NZ LYS A 37 3.364 -6.028 -15.507 1.00 -0.85 N ATOM 0 H LYS A 37 -0.209 -3.373 -11.494 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.437 -5.945 -11.197 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.383 -4.813 -11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.118 -6.527 -11.195 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.221 -6.851 -13.321 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.499 -5.255 -13.384 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.288 -4.392 -14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.418 -5.043 -13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.043 -7.337 -14.511 1.00 0.50 H new ATOM 0 HE3 LYS A 37 1.309 -6.405 -15.800 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 3.652 -6.752 -16.195 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 3.337 -5.099 -15.973 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 4.048 -6.003 -14.724 1.00 -0.85 H new ATOM 630 N ALA A 38 0.043 -4.693 -8.547 1.00 -0.73 N ATOM 631 CA ALA A 38 0.168 -4.745 -7.095 1.00 0.36 C ATOM 632 C ALA A 38 -1.214 -4.745 -6.457 1.00 0.57 C ATOM 633 O ALA A 38 -1.517 -5.601 -5.627 1.00 -0.57 O ATOM 634 CB ALA A 38 0.944 -3.509 -6.617 1.00 0.00 C ATOM 0 H ALA A 38 0.428 -3.830 -8.932 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.696 -5.654 -6.808 1.00 0.36 H new ATOM 0 HB1 ALA A 38 1.043 -3.539 -5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.935 -3.503 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.406 -2.607 -6.908 1.00 0.00 H new ATOM 640 N LEU A 39 -2.083 -3.826 -6.887 1.00 -0.73 N ATOM 641 CA LEU A 39 -3.465 -3.797 -6.444 1.00 0.36 C ATOM 642 C LEU A 39 -4.219 -5.009 -6.940 1.00 0.57 C ATOM 643 O LEU A 39 -5.069 -5.508 -6.211 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.173 -2.526 -6.922 1.00 0.00 C ATOM 645 CG LEU A 39 -3.867 -1.342 -5.996 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.298 -0.037 -6.666 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.609 -1.528 -4.664 1.00 0.00 C ATOM 0 H LEU A 39 -1.843 -3.088 -7.549 1.00 -0.73 H new ATOM 0 HA LEU A 39 -3.454 -3.806 -5.354 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -3.855 -2.289 -7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.249 -2.696 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.795 -1.298 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.079 0.801 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.755 0.088 -7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.368 -0.069 -6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.392 -0.687 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.682 -1.576 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.281 -2.453 -4.191 1.00 0.00 H new ATOM 659 N ASN A 40 -3.896 -5.528 -8.130 1.00 -0.73 N ATOM 660 CA ASN A 40 -4.490 -6.764 -8.606 1.00 0.36 C ATOM 661 C ASN A 40 -4.159 -7.894 -7.642 1.00 0.57 C ATOM 662 O ASN A 40 -4.995 -8.764 -7.459 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.031 -7.145 -10.025 1.00 0.06 C ATOM 664 CG ASN A 40 -5.113 -7.877 -10.827 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.309 -7.821 -10.532 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -4.703 -8.572 -11.882 1.00 -0.80 N ATOM 0 H ASN A 40 -3.227 -5.106 -8.774 1.00 -0.73 H new ATOM 0 HA ASN A 40 -5.567 -6.603 -8.652 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -3.737 -6.242 -10.561 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.146 -7.778 -9.957 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -5.381 -9.068 -12.460 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -3.710 -8.609 -12.114 1.00 -0.80 H new ATOM 673 N MET A 41 -2.976 -7.887 -7.009 1.00 -0.73 N ATOM 674 CA MET A 41 -2.643 -8.893 -6.011 1.00 0.36 C ATOM 675 C MET A 41 -3.448 -8.754 -4.723 1.00 0.57 C ATOM 676 O MET A 41 -3.561 -9.764 -4.055 1.00 -0.57 O ATOM 677 CB MET A 41 -1.151 -8.916 -5.662 1.00 0.00 C ATOM 678 CG MET A 41 -0.293 -9.417 -6.818 1.00 0.23 C ATOM 679 SD MET A 41 1.295 -10.113 -6.297 1.00 -0.46 S ATOM 680 CE MET A 41 2.391 -8.822 -6.921 1.00 0.23 C ATOM 0 H MET A 41 -2.244 -7.197 -7.175 1.00 -0.73 H new ATOM 0 HA MET A 41 -2.910 -9.837 -6.487 1.00 0.36 H new ATOM 0 HB2 MET A 41 -0.830 -7.912 -5.383 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.994 -9.554 -4.793 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.849 -10.175 -7.369 1.00 0.23 H new ATOM 0 HG3 MET A 41 -0.110 -8.592 -7.507 1.00 0.23 H new ATOM 0 HE1 MET A 41 3.420 -9.053 -6.644 1.00 0.23 H new ATOM 0 HE2 MET A 41 2.311 -8.770 -8.007 1.00 0.23 H new ATOM 0 HE3 MET A 41 2.106 -7.863 -6.490 1.00 0.23 H new ATOM 690 N TRP A 42 -3.988 -7.575 -4.381 1.00 -0.73 N ATOM 691 CA TRP A 42 -4.959 -7.401 -3.291 1.00 0.36 C ATOM 692 C TRP A 42 -6.389 -7.695 -3.770 1.00 0.57 C ATOM 693 O TRP A 42 -7.226 -8.204 -3.029 1.00 -0.57 O ATOM 694 CB TRP A 42 -4.878 -5.952 -2.767 1.00 0.18 C ATOM 695 CG TRP A 42 -4.008 -5.748 -1.567 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.662 -5.701 -1.564 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.404 -5.572 -0.175 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.197 -5.557 -0.270 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.234 -5.568 0.640 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.645 -5.436 0.479 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.297 -5.535 2.043 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.726 -5.378 1.883 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.556 -5.451 2.661 1.00 -0.15 C ATOM 0 H TRP A 42 -3.759 -6.704 -4.860 1.00 -0.73 H new ATOM 0 HA TRP A 42 -4.716 -8.104 -2.494 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -4.513 -5.313 -3.571 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -5.886 -5.615 -2.525 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.038 -5.766 -2.443 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.213 -5.456 -0.020 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.550 -5.375 -0.107 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.395 -5.573 2.635 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.688 -5.277 2.364 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.626 -5.442 3.739 1.00 -0.15 H new ATOM 714 N GLY A 43 -6.698 -7.364 -5.027 1.00 -0.73 N ATOM 715 CA GLY A 43 -7.992 -7.628 -5.639 1.00 0.36 C ATOM 716 C GLY A 43 -8.155 -9.101 -6.041 1.00 0.57 C ATOM 717 O GLY A 43 -9.259 -9.577 -6.318 1.00 -0.57 O ATOM 0 H GLY A 43 -6.042 -6.898 -5.653 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -8.784 -7.354 -4.942 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.110 -6.998 -6.520 1.00 0.36 H new ATOM 721 N LYS A 44 -7.058 -9.861 -6.061 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.102 -11.299 -6.261 1.00 0.36 C ATOM 723 C LYS A 44 -7.897 -11.986 -5.150 1.00 0.57 C ATOM 724 O LYS A 44 -8.483 -13.032 -5.428 1.00 -0.57 O ATOM 725 CB LYS A 44 -5.686 -11.887 -6.411 1.00 0.00 C ATOM 726 CG LYS A 44 -5.273 -11.983 -7.896 1.00 0.00 C ATOM 727 CD LYS A 44 -4.279 -13.120 -8.155 1.00 0.00 C ATOM 728 CE LYS A 44 -4.204 -13.436 -9.660 1.00 0.50 C ATOM 729 NZ LYS A 44 -2.950 -12.980 -10.302 1.00 -0.85 N ATOM 0 H LYS A 44 -6.116 -9.490 -5.938 1.00 -0.73 H new ATOM 0 HA LYS A 44 -7.626 -11.493 -7.197 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -4.972 -11.264 -5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.651 -12.877 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.162 -12.135 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.829 -11.038 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.292 -12.840 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.584 -14.010 -7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.304 -14.512 -9.802 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -5.050 -12.968 -10.163 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -2.968 -13.225 -11.312 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -2.861 -11.949 -10.198 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -2.138 -13.445 -9.847 1.00 -0.85 H new ATOM 743 N GLU A 45 -7.983 -11.396 -3.952 1.00 -0.73 N ATOM 744 CA GLU A 45 -8.776 -11.936 -2.856 1.00 0.36 C ATOM 745 C GLU A 45 -10.124 -11.211 -2.727 1.00 0.57 C ATOM 746 O GLU A 45 -11.094 -11.855 -2.325 1.00 -0.57 O ATOM 747 CB GLU A 45 -7.998 -11.871 -1.531 1.00 0.00 C ATOM 748 CG GLU A 45 -6.647 -12.612 -1.516 1.00 0.06 C ATOM 749 CD GLU A 45 -5.550 -11.932 -2.346 1.00 0.66 C ATOM 750 OE1 GLU A 45 -5.697 -10.747 -2.597 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -4.593 -12.713 -2.840 1.00 -0.65 O ATOM 0 H GLU A 45 -7.500 -10.528 -3.721 1.00 -0.73 H new ATOM 0 HA GLU A 45 -8.980 -12.982 -3.084 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -7.821 -10.824 -1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.626 -12.282 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.305 -12.701 -0.485 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.796 -13.625 -1.891 1.00 0.06 H new ATOM 759 N ILE A 46 -10.217 -9.918 -3.096 1.00 -0.73 N ATOM 760 CA ILE A 46 -11.469 -9.146 -3.026 1.00 0.36 C ATOM 761 C ILE A 46 -11.846 -8.575 -4.395 1.00 0.57 C ATOM 762 O ILE A 46 -11.025 -7.906 -5.010 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.430 -8.023 -1.963 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.233 -7.045 -2.081 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.481 -8.731 -0.610 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.311 -5.811 -1.172 1.00 0.00 C ATOM 0 H ILE A 46 -9.425 -9.382 -3.451 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.240 -9.850 -2.714 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.281 -7.357 -2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.316 -7.588 -1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.157 -6.711 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.457 -7.990 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.400 -9.312 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.623 -9.396 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.430 -5.189 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.207 -5.238 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.352 -6.129 -0.130 1.00 0.00 H new ATOM 778 N PRO A 47 -13.097 -8.732 -4.863 1.00 -0.66 N ATOM 779 CA PRO A 47 -13.560 -8.189 -6.141 1.00 0.36 C ATOM 780 C PRO A 47 -13.772 -6.658 -6.084 1.00 0.57 C ATOM 781 O PRO A 47 -14.777 -6.117 -6.553 1.00 -0.57 O ATOM 782 CB PRO A 47 -14.811 -9.009 -6.481 1.00 0.00 C ATOM 783 CG PRO A 47 -15.364 -9.467 -5.132 1.00 0.00 C ATOM 784 CD PRO A 47 -14.161 -9.464 -4.192 1.00 0.30 C ATOM 0 HA PRO A 47 -12.823 -8.287 -6.938 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -15.541 -8.408 -7.023 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -14.564 -9.860 -7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.145 -8.795 -4.776 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -15.807 -10.460 -5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.415 -8.992 -3.243 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -13.845 -10.483 -3.967 1.00 0.30 H new ATOM 792 N LEU A 48 -12.831 -5.941 -5.464 1.00 -0.73 N ATOM 793 CA LEU A 48 -12.800 -4.494 -5.387 1.00 0.36 C ATOM 794 C LEU A 48 -12.182 -3.952 -6.671 1.00 0.57 C ATOM 795 O LEU A 48 -11.295 -4.574 -7.256 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.004 -4.082 -4.146 1.00 0.00 C ATOM 797 CG LEU A 48 -12.263 -2.613 -3.752 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.195 -2.496 -2.243 1.00 0.00 C ATOM 799 CD2 LEU A 48 -11.235 -1.628 -4.305 1.00 0.00 C ATOM 0 H LEU A 48 -12.043 -6.378 -4.986 1.00 -0.73 H new ATOM 0 HA LEU A 48 -13.804 -4.079 -5.293 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.270 -4.733 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.940 -4.224 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.238 -2.360 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.376 -1.462 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.952 -3.139 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.208 -2.803 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.489 -0.618 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.244 -1.889 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.237 -1.673 -5.394 1.00 0.00 H new ATOM 811 N HIS A 49 -12.674 -2.799 -7.113 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.290 -2.172 -8.362 1.00 0.36 C ATOM 813 C HIS A 49 -11.860 -0.735 -8.063 1.00 0.57 C ATOM 814 O HIS A 49 -12.144 -0.180 -7.001 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.467 -2.234 -9.349 1.00 0.17 C ATOM 816 CG HIS A 49 -13.910 -3.636 -9.742 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.342 -4.646 -8.905 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -13.964 -4.145 -11.013 1.00 0.20 C ATOM 819 CE1 HIS A 49 -14.617 -5.724 -9.650 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.440 -5.460 -10.954 1.00 -0.70 N ATOM 0 H HIS A 49 -13.370 -2.264 -6.594 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.453 -2.693 -8.826 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.317 -1.712 -8.910 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.191 -1.691 -10.253 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -14.436 -4.582 -7.891 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -13.685 -3.618 -11.913 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -14.938 -6.677 -9.255 1.00 0.65 H new ATOM 829 N PHE A 50 -11.153 -0.113 -9.001 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.507 1.163 -8.759 1.00 0.36 C ATOM 831 C PHE A 50 -10.609 1.966 -10.050 1.00 0.57 C ATOM 832 O PHE A 50 -10.725 1.394 -11.140 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.046 1.002 -8.271 1.00 0.14 C ATOM 834 CG PHE A 50 -8.704 -0.291 -7.532 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.614 -1.500 -8.253 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.479 -0.302 -6.141 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.382 -2.716 -7.587 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.198 -1.514 -5.482 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.173 -2.724 -6.200 1.00 -0.15 C ATOM 0 H PHE A 50 -11.015 -0.480 -9.943 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.007 1.693 -7.948 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.388 1.083 -9.136 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.813 1.840 -7.614 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -8.724 -1.491 -9.327 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.522 0.620 -5.580 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.365 -3.642 -8.142 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.001 -1.515 -4.420 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -7.993 -3.656 -5.685 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.604 3.291 -9.920 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.710 4.221 -11.035 1.00 0.36 C ATOM 851 C ARG A 51 -9.702 5.345 -10.843 1.00 0.57 C ATOM 852 O ARG A 51 -9.126 5.501 -9.769 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.149 4.782 -11.146 1.00 0.00 C ATOM 854 CG ARG A 51 -12.867 4.303 -12.412 1.00 0.00 C ATOM 855 CD ARG A 51 -13.466 2.903 -12.240 1.00 0.33 C ATOM 856 NE ARG A 51 -13.862 2.334 -13.534 1.00 -0.84 N ATOM 857 CZ ARG A 51 -13.021 1.767 -14.413 1.00 1.20 C ATOM 858 NH1 ARG A 51 -11.737 1.539 -14.103 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -13.493 1.431 -15.615 1.00 -0.97 N ATOM 0 H ARG A 51 -10.524 3.755 -9.015 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.490 3.697 -11.965 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.723 4.479 -10.270 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.113 5.871 -11.142 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.659 5.007 -12.667 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.165 4.297 -13.246 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.738 2.249 -11.759 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.333 2.954 -11.581 1.00 0.33 H new ATOM 0 HE ARG A 51 -14.850 2.372 -13.784 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -11.381 1.798 -13.183 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -11.116 1.107 -14.787 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -14.471 1.607 -15.846 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -12.876 0.999 -16.303 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.549 6.180 -11.864 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.671 7.336 -11.816 1.00 0.36 C ATOM 875 C LYS A 52 -9.513 8.603 -11.923 1.00 0.57 C ATOM 876 O LYS A 52 -10.680 8.554 -12.322 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.625 7.182 -12.928 1.00 0.00 C ATOM 878 CG LYS A 52 -6.429 8.119 -12.710 1.00 0.00 C ATOM 879 CD LYS A 52 -5.202 7.733 -13.542 1.00 0.00 C ATOM 880 CE LYS A 52 -5.123 8.479 -14.882 1.00 0.50 C ATOM 881 NZ LYS A 52 -6.137 8.045 -15.870 1.00 -0.85 N ATOM 0 H LYS A 52 -10.036 6.070 -12.754 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.130 7.411 -10.873 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.278 6.149 -12.962 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.084 7.396 -13.893 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.724 9.138 -12.960 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.160 8.115 -11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.300 7.938 -12.965 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.222 6.660 -13.731 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.241 9.547 -14.700 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -4.130 8.336 -15.308 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -5.930 8.477 -16.793 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -6.113 7.009 -15.960 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -7.081 8.344 -15.552 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.910 9.734 -11.566 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.520 11.056 -11.629 1.00 0.36 C ATOM 897 C VAL A 53 -8.998 11.814 -12.852 1.00 0.57 C ATOM 898 O VAL A 53 -8.043 11.381 -13.500 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.248 11.813 -10.316 1.00 0.00 C ATOM 900 CG1 VAL A 53 -9.884 11.060 -9.143 1.00 0.00 C ATOM 901 CG2 VAL A 53 -7.748 12.013 -10.056 1.00 0.00 C ATOM 0 H VAL A 53 -7.953 9.754 -11.214 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.600 10.964 -11.741 1.00 0.36 H new ATOM 0 HB VAL A 53 -9.695 12.803 -10.411 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.689 11.599 -8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.960 10.985 -9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.456 10.060 -9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.610 12.552 -9.118 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.257 11.042 -9.992 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.311 12.588 -10.872 1.00 0.00 H new ATOM 911 N VAL A 54 -9.598 12.973 -13.141 1.00 -0.73 N ATOM 912 CA VAL A 54 -9.351 13.744 -14.365 1.00 0.36 C ATOM 913 C VAL A 54 -8.716 15.107 -14.052 1.00 0.57 C ATOM 914 O VAL A 54 -9.021 16.105 -14.714 1.00 -0.57 O ATOM 915 CB VAL A 54 -10.641 13.836 -15.210 1.00 0.00 C ATOM 916 CG1 VAL A 54 -11.028 12.446 -15.741 1.00 0.00 C ATOM 917 CG2 VAL A 54 -11.828 14.445 -14.440 1.00 0.00 C ATOM 0 H VAL A 54 -10.280 13.410 -12.521 1.00 -0.73 H new ATOM 0 HA VAL A 54 -8.617 13.219 -14.976 1.00 0.36 H new ATOM 0 HB VAL A 54 -10.420 14.508 -16.039 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.939 12.524 -16.335 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.222 12.056 -16.362 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -11.198 11.771 -14.903 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.703 14.482 -15.089 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.049 13.831 -13.567 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -11.573 15.455 -14.118 1.00 0.00 H new ATOM 927 N TRP A 55 -7.843 15.101 -13.028 1.00 -0.73 N ATOM 928 CA TRP A 55 -7.106 16.226 -12.444 1.00 0.36 C ATOM 929 C TRP A 55 -7.919 16.806 -11.286 1.00 0.57 C ATOM 930 O TRP A 55 -8.942 17.454 -11.504 1.00 -0.57 O ATOM 931 CB TRP A 55 -6.765 17.308 -13.474 1.00 0.18 C ATOM 932 CG TRP A 55 -5.719 18.281 -13.056 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -5.900 19.357 -12.261 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -4.314 18.282 -13.428 1.00 0.00 C ATOM 935 NE1 TRP A 55 -4.714 20.053 -12.156 1.00 0.03 N ATOM 936 CE2 TRP A 55 -3.699 19.437 -12.861 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -3.504 17.422 -14.195 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -2.343 19.734 -13.069 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -2.143 17.703 -14.401 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -1.563 18.857 -13.844 1.00 -0.15 C ATOM 0 H TRP A 55 -7.619 14.229 -12.549 1.00 -0.73 H new ATOM 0 HA TRP A 55 -6.151 15.852 -12.075 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -6.438 16.821 -14.393 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -7.675 17.859 -13.712 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -6.829 19.630 -11.782 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -4.601 20.916 -11.624 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -3.936 16.533 -14.631 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -1.905 20.623 -12.640 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -1.539 17.029 -14.990 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -0.518 19.070 -14.012 1.00 -0.15 H new ATOM 951 N GLY A 56 -7.475 16.572 -10.051 1.00 -0.73 N ATOM 952 CA GLY A 56 -8.221 16.953 -8.868 1.00 0.36 C ATOM 953 C GLY A 56 -7.778 16.089 -7.703 1.00 0.57 C ATOM 954 O GLY A 56 -6.585 16.030 -7.392 1.00 -0.57 O ATOM 0 H GLY A 56 -6.587 16.112 -9.850 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -8.053 18.006 -8.641 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -9.290 16.831 -9.042 1.00 0.36 H new ATOM 958 N THR A 57 -8.739 15.411 -7.070 1.00 -0.73 N ATOM 959 CA THR A 57 -8.521 14.683 -5.829 1.00 0.36 C ATOM 960 C THR A 57 -9.244 13.338 -5.884 1.00 0.57 C ATOM 961 O THR A 57 -10.333 13.233 -6.449 1.00 -0.57 O ATOM 962 CB THR A 57 -8.943 15.539 -4.614 1.00 0.28 C ATOM 963 OG1 THR A 57 -10.297 15.933 -4.678 1.00 -0.68 O ATOM 964 CG2 THR A 57 -8.100 16.816 -4.502 1.00 0.00 C ATOM 0 H THR A 57 -9.698 15.355 -7.413 1.00 -0.73 H new ATOM 0 HA THR A 57 -7.458 14.476 -5.707 1.00 0.36 H new ATOM 0 HB THR A 57 -8.786 14.900 -3.745 1.00 0.28 H new ATOM 0 HG1 THR A 57 -10.519 16.470 -3.889 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -8.426 17.392 -3.636 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.049 16.549 -4.386 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.225 17.415 -5.404 1.00 0.00 H new ATOM 972 N ALA A 58 -8.611 12.313 -5.301 1.00 -0.73 N ATOM 973 CA ALA A 58 -9.064 10.932 -5.273 1.00 0.36 C ATOM 974 C ALA A 58 -8.892 10.370 -3.859 1.00 0.57 C ATOM 975 O ALA A 58 -8.422 11.061 -2.949 1.00 -0.57 O ATOM 976 CB ALA A 58 -8.250 10.086 -6.262 1.00 0.00 C ATOM 0 H ALA A 58 -7.724 12.439 -4.813 1.00 -0.73 H new ATOM 0 HA ALA A 58 -10.115 10.897 -5.559 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.599 9.054 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.376 10.482 -7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.195 10.121 -5.988 1.00 0.00 H new ATOM 982 N ASP A 59 -9.219 9.088 -3.704 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.176 8.397 -2.426 1.00 0.36 C ATOM 984 C ASP A 59 -7.763 7.895 -2.125 1.00 0.57 C ATOM 985 O ASP A 59 -7.309 8.022 -0.989 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.125 7.205 -2.487 1.00 0.06 C ATOM 987 CG ASP A 59 -11.583 7.569 -2.774 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.035 7.264 -3.865 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.245 8.201 -1.809 1.00 -0.65 O ATOM 0 H ASP A 59 -9.525 8.496 -4.476 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.473 9.089 -1.638 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -9.777 6.518 -3.258 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.077 6.670 -1.539 1.00 0.06 H new ATOM 995 N ILE A 60 -7.056 7.386 -3.141 1.00 -0.73 N ATOM 996 CA ILE A 60 -5.731 6.786 -3.029 1.00 0.36 C ATOM 997 C ILE A 60 -4.767 7.663 -3.833 1.00 0.57 C ATOM 998 O ILE A 60 -4.458 7.403 -4.998 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.772 5.326 -3.519 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -6.747 4.418 -2.734 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.378 4.689 -3.463 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.373 3.333 -3.620 1.00 0.00 C ATOM 0 H ILE A 60 -7.409 7.383 -4.098 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.388 6.745 -1.995 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.135 5.391 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.215 3.947 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.538 5.029 -2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.434 3.659 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.695 5.252 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.013 4.703 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.050 2.722 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.929 3.802 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.586 2.703 -4.035 1.00 0.00 H new ATOM 1014 N MET A 61 -4.334 8.773 -3.249 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.292 9.585 -3.833 1.00 0.36 C ATOM 1016 C MET A 61 -1.948 8.942 -3.550 1.00 0.57 C ATOM 1017 O MET A 61 -1.629 8.695 -2.394 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.365 11.014 -3.302 1.00 0.00 C ATOM 1019 CG MET A 61 -2.327 11.960 -3.909 1.00 0.23 C ATOM 1020 SD MET A 61 -0.975 12.392 -2.776 1.00 -0.46 S ATOM 1021 CE MET A 61 -1.862 13.595 -1.751 1.00 0.23 C ATOM 0 H MET A 61 -4.696 9.128 -2.364 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.427 9.642 -4.913 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.361 11.412 -3.496 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.235 10.995 -2.220 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.906 11.497 -4.802 1.00 0.23 H new ATOM 0 HG3 MET A 61 -2.826 12.875 -4.229 1.00 0.23 H new ATOM 0 HE1 MET A 61 -1.386 14.571 -1.841 1.00 0.23 H new ATOM 0 HE2 MET A 61 -2.897 13.664 -2.085 1.00 0.23 H new ATOM 0 HE3 MET A 61 -1.837 13.274 -0.710 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.150 8.710 -4.588 1.00 -0.73 N ATOM 1032 CA ILE A 62 0.218 8.235 -4.447 1.00 0.36 C ATOM 1033 C ILE A 62 1.106 9.417 -4.835 1.00 0.57 C ATOM 1034 O ILE A 62 0.948 9.980 -5.919 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.449 6.971 -5.309 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.561 5.837 -4.987 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.873 6.442 -5.092 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.489 5.556 -6.175 1.00 0.00 C ATOM 0 H ILE A 62 -1.439 8.848 -5.556 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.453 7.918 -3.431 1.00 0.36 H new ATOM 0 HB ILE A 62 0.302 7.267 -6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.018 4.929 -4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.156 6.115 -4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.028 5.552 -5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.593 7.208 -5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.011 6.189 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.183 4.757 -5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.050 6.458 -6.420 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.895 5.253 -7.037 1.00 0.00 H new ATOM 1050 N GLY A 63 2.025 9.818 -3.957 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.940 10.918 -4.229 1.00 0.36 C ATOM 1052 C GLY A 63 4.316 10.644 -3.650 1.00 0.57 C ATOM 1053 O GLY A 63 4.467 9.781 -2.792 1.00 -0.57 O ATOM 0 H GLY A 63 2.153 9.389 -3.041 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 3.019 11.071 -5.305 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.541 11.840 -3.805 1.00 0.36 H new ATOM 1057 N PHE A 64 5.329 11.377 -4.108 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.710 11.148 -3.714 1.00 0.36 C ATOM 1059 C PHE A 64 7.354 12.504 -3.444 1.00 0.57 C ATOM 1060 O PHE A 64 7.001 13.497 -4.090 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.518 10.357 -4.767 1.00 0.14 C ATOM 1062 CG PHE A 64 6.950 9.031 -5.253 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.721 9.003 -5.924 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.646 7.821 -5.059 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 5.129 7.797 -6.309 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 7.050 6.601 -5.428 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.774 6.590 -6.025 1.00 -0.15 C ATOM 0 H PHE A 64 5.210 12.148 -4.765 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.715 10.529 -2.817 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.655 11.001 -5.636 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.508 10.165 -4.354 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.220 9.933 -6.149 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.636 7.830 -4.627 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.179 7.798 -6.823 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 7.572 5.672 -5.253 1.00 -0.15 H new ATOM 0 HZ PHE A 64 5.295 5.651 -6.263 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.297 12.518 -2.499 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.992 13.697 -2.003 1.00 0.36 C ATOM 1079 C ALA A 65 10.464 13.374 -1.741 1.00 0.57 C ATOM 1080 O ALA A 65 10.889 12.247 -1.934 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.312 14.154 -0.712 1.00 0.00 C ATOM 0 H ALA A 65 8.608 11.662 -2.039 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.948 14.493 -2.747 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.820 15.037 -0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.269 14.396 -0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.361 13.355 0.028 1.00 0.00 H new ATOM 1087 N ARG A 66 11.240 14.359 -1.283 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.688 14.257 -1.099 1.00 0.36 C ATOM 1089 C ARG A 66 13.053 14.912 0.233 1.00 0.57 C ATOM 1090 O ARG A 66 13.512 16.059 0.306 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.422 14.802 -2.338 1.00 0.00 C ATOM 1092 CG ARG A 66 13.167 16.299 -2.613 1.00 0.00 C ATOM 1093 CD ARG A 66 12.909 16.628 -4.088 1.00 0.33 C ATOM 1094 NE ARG A 66 11.475 16.888 -4.332 1.00 -0.84 N ATOM 1095 CZ ARG A 66 10.801 16.700 -5.478 1.00 1.20 C ATOM 1096 NH1 ARG A 66 11.407 16.166 -6.535 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 9.515 17.058 -5.542 1.00 -0.97 N ATOM 0 H ARG A 66 10.868 15.273 -1.023 1.00 -0.73 H new ATOM 0 HA ARG A 66 13.021 13.222 -1.027 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.493 14.644 -2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.116 14.226 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.310 16.625 -2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.028 16.873 -2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.494 17.501 -4.377 1.00 0.33 H new ATOM 0 HD3 ARG A 66 13.243 15.799 -4.712 1.00 0.33 H new ATOM 0 HE ARG A 66 10.938 17.250 -3.544 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 12.389 15.897 -6.478 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 10.889 16.026 -7.403 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 9.059 17.468 -4.727 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 8.990 16.921 -6.406 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.674 14.234 1.315 1.00 -0.73 N ATOM 1112 CA GLY A 67 12.889 14.699 2.674 1.00 0.36 C ATOM 1113 C GLY A 67 11.625 15.353 3.215 1.00 0.57 C ATOM 1114 O GLY A 67 10.988 14.791 4.088 1.00 -0.57 O ATOM 0 H GLY A 67 12.201 13.331 1.265 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.175 13.862 3.311 1.00 0.36 H new ATOM 0 HA3 GLY A 67 13.713 15.412 2.696 1.00 0.36 H new ATOM 1118 N ALA A 68 11.169 16.480 2.660 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.991 17.165 3.186 1.00 0.36 C ATOM 1120 C ALA A 68 8.970 17.410 2.089 1.00 0.57 C ATOM 1121 O ALA A 68 9.289 17.373 0.899 1.00 -0.57 O ATOM 1122 CB ALA A 68 10.397 18.458 3.904 1.00 0.00 C ATOM 0 H ALA A 68 11.596 16.933 1.852 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.512 16.522 3.924 1.00 0.36 H new ATOM 0 HB1 ALA A 68 9.507 18.955 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.066 18.220 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.907 19.119 3.203 1.00 0.00 H new ATOM 1128 N HIS A 69 7.723 17.626 2.519 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.582 17.847 1.656 1.00 0.36 C ATOM 1130 C HIS A 69 5.496 18.582 2.447 1.00 0.57 C ATOM 1131 O HIS A 69 5.446 18.508 3.680 1.00 -0.57 O ATOM 1132 CB HIS A 69 6.087 16.512 1.064 1.00 0.17 C ATOM 1133 CG HIS A 69 5.889 15.345 2.012 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.826 14.744 2.830 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 4.753 14.591 2.114 1.00 0.20 C ATOM 1136 CE1 HIS A 69 6.244 13.693 3.433 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.974 13.554 3.023 1.00 -0.70 N ATOM 0 H HIS A 69 7.483 17.651 3.510 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.863 18.473 0.809 1.00 0.36 H new ATOM 0 HB2 HIS A 69 5.138 16.700 0.563 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.797 16.203 0.297 1.00 0.17 H new ATOM 0 HD1 HIS A 69 7.792 15.046 2.955 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 3.833 14.769 1.578 1.00 0.20 H new ATOM 0 HE1 HIS A 69 6.732 13.049 4.149 1.00 0.65 H new ATOM 1146 N GLY A 70 4.637 19.299 1.713 1.00 -0.73 N ATOM 1147 CA GLY A 70 3.555 20.128 2.235 1.00 0.36 C ATOM 1148 C GLY A 70 2.332 19.314 2.641 1.00 0.57 C ATOM 1149 O GLY A 70 1.229 19.603 2.190 1.00 -0.57 O ATOM 0 H GLY A 70 4.683 19.315 0.694 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 3.916 20.688 3.098 1.00 0.36 H new ATOM 0 HA3 GLY A 70 3.266 20.858 1.479 1.00 0.36 H new ATOM 1153 N ASP A 71 2.552 18.291 3.467 1.00 -0.73 N ATOM 1154 CA ASP A 71 1.532 17.355 3.909 1.00 0.36 C ATOM 1155 C ASP A 71 1.253 17.609 5.386 1.00 0.57 C ATOM 1156 O ASP A 71 0.275 18.272 5.718 1.00 -0.57 O ATOM 1157 CB ASP A 71 2.039 15.934 3.629 1.00 0.06 C ATOM 1158 CG ASP A 71 1.295 14.859 4.419 1.00 0.66 C ATOM 1159 OD1 ASP A 71 0.077 14.843 4.353 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.056 14.004 5.096 1.00 -0.65 O ATOM 0 H ASP A 71 3.473 18.090 3.855 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.591 17.483 3.374 1.00 0.36 H new ATOM 0 HB2 ASP A 71 1.942 15.725 2.564 1.00 0.06 H new ATOM 0 HB3 ASP A 71 3.101 15.881 3.869 1.00 0.06 H new ATOM 1166 N SER A 72 2.147 17.140 6.262 1.00 -0.73 N ATOM 1167 CA SER A 72 1.999 17.196 7.713 1.00 0.36 C ATOM 1168 C SER A 72 3.239 16.611 8.391 1.00 0.57 C ATOM 1169 O SER A 72 3.681 17.131 9.416 1.00 -0.57 O ATOM 1170 CB SER A 72 0.757 16.389 8.136 1.00 0.28 C ATOM 1171 OG SER A 72 0.176 16.914 9.310 1.00 -0.68 O ATOM 0 H SER A 72 3.018 16.698 5.968 1.00 -0.73 H new ATOM 0 HA SER A 72 1.883 18.236 8.017 1.00 0.36 H new ATOM 0 HB2 SER A 72 0.023 16.398 7.330 1.00 0.28 H new ATOM 0 HB3 SER A 72 1.036 15.348 8.301 1.00 0.28 H new ATOM 0 HG SER A 72 -0.611 16.382 9.552 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.819 15.551 7.802 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.933 14.814 8.383 1.00 0.36 C ATOM 1179 C TYR A 73 6.022 14.667 7.324 1.00 0.57 C ATOM 1180 O TYR A 73 5.910 13.799 6.456 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.462 13.446 8.894 1.00 0.14 C ATOM 1182 CG TYR A 73 3.386 13.534 9.957 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.698 14.025 11.240 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 2.063 13.168 9.644 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.690 14.149 12.211 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 1.050 13.290 10.610 1.00 -0.15 C ATOM 1187 CZ TYR A 73 1.358 13.779 11.902 1.00 0.08 C ATOM 1188 OH TYR A 73 0.384 13.885 12.850 1.00 -0.53 O ATOM 0 H TYR A 73 3.517 15.185 6.899 1.00 -0.73 H new ATOM 0 HA TYR A 73 5.336 15.356 9.238 1.00 0.36 H new ATOM 0 HB2 TYR A 73 4.084 12.864 8.054 1.00 0.14 H new ATOM 0 HB3 TYR A 73 5.317 12.904 9.298 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.713 14.306 11.478 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.826 12.793 8.659 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 2.931 14.527 13.194 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 0.036 13.010 10.366 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.472 13.591 12.474 1.00 -0.53 H new ATOM 1198 N PRO A 74 7.068 15.508 7.346 1.00 -0.66 N ATOM 1199 CA PRO A 74 8.178 15.337 6.436 1.00 0.36 C ATOM 1200 C PRO A 74 8.892 14.010 6.752 1.00 0.57 C ATOM 1201 O PRO A 74 9.008 13.606 7.912 1.00 -0.57 O ATOM 1202 CB PRO A 74 9.034 16.595 6.603 1.00 0.00 C ATOM 1203 CG PRO A 74 8.682 17.172 7.971 1.00 0.00 C ATOM 1204 CD PRO A 74 7.342 16.536 8.339 1.00 0.30 C ATOM 0 HA PRO A 74 7.895 15.250 5.387 1.00 0.36 H new ATOM 0 HB2 PRO A 74 10.095 16.354 6.544 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.826 17.315 5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.448 16.932 8.709 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.605 18.259 7.933 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.383 16.104 9.339 1.00 0.30 H new ATOM 0 HD3 PRO A 74 6.550 17.285 8.347 1.00 0.30 H new ATOM 1212 N PHE A 75 9.325 13.328 5.687 1.00 -0.73 N ATOM 1213 CA PHE A 75 10.232 12.193 5.751 1.00 0.36 C ATOM 1214 C PHE A 75 11.585 12.602 6.348 1.00 0.57 C ATOM 1215 O PHE A 75 11.863 13.762 6.657 1.00 -0.57 O ATOM 1216 CB PHE A 75 10.433 11.594 4.339 1.00 0.14 C ATOM 1217 CG PHE A 75 9.246 10.845 3.794 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.843 9.655 4.426 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.572 11.304 2.646 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.725 8.958 3.952 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.455 10.602 2.170 1.00 -0.15 C ATOM 1222 CZ PHE A 75 7.023 9.447 2.842 1.00 -0.15 C ATOM 0 H PHE A 75 9.043 13.561 4.735 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.788 11.438 6.400 1.00 0.36 H new ATOM 0 HB2 PHE A 75 10.683 12.401 3.650 1.00 0.14 H new ATOM 0 HB3 PHE A 75 11.289 10.920 4.365 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.395 9.280 5.275 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.913 12.192 2.135 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.405 8.049 4.439 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.930 10.948 1.292 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.139 8.929 2.499 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.446 11.600 6.489 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.791 11.682 7.026 1.00 0.36 C ATOM 1234 C ASP A 76 14.831 11.734 5.893 1.00 0.57 C ATOM 1235 O ASP A 76 15.819 12.452 6.065 1.00 -0.57 O ATOM 1236 CB ASP A 76 14.016 10.405 7.868 1.00 0.06 C ATOM 1237 CG ASP A 76 13.766 9.149 7.030 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.625 8.940 6.650 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 14.788 8.391 6.642 1.00 -0.65 O ATOM 0 H ASP A 76 12.203 10.649 6.212 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.904 12.586 7.624 1.00 0.36 H new ATOM 0 HB2 ASP A 76 15.036 10.393 8.253 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.349 10.411 8.730 1.00 0.06 H new ATOM 1245 N GLY A 77 14.656 11.010 4.773 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.669 10.874 3.722 1.00 0.36 C ATOM 1247 C GLY A 77 16.121 9.412 3.526 1.00 0.57 C ATOM 1248 O GLY A 77 15.320 8.510 3.731 1.00 -0.57 O ATOM 0 H GLY A 77 13.796 10.499 4.574 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 15.268 11.256 2.783 1.00 0.36 H new ATOM 0 HA3 GLY A 77 16.534 11.488 3.973 1.00 0.36 H new ATOM 1252 N PRO A 78 17.371 9.142 3.104 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.887 7.797 2.824 1.00 0.36 C ATOM 1254 C PRO A 78 18.143 6.971 4.105 1.00 0.57 C ATOM 1255 O PRO A 78 19.273 6.897 4.588 1.00 -0.57 O ATOM 1256 CB PRO A 78 19.121 8.017 1.939 1.00 0.00 C ATOM 1257 CG PRO A 78 19.616 9.420 2.296 1.00 0.00 C ATOM 1258 CD PRO A 78 18.390 10.146 2.848 1.00 0.30 C ATOM 0 HA PRO A 78 17.158 7.177 2.302 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.887 7.266 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.867 7.945 0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 78 20.416 9.380 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 78 20.016 9.932 1.421 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.641 10.681 3.764 1.00 0.30 H new ATOM 0 HD3 PRO A 78 18.029 10.887 2.135 1.00 0.30 H new ATOM 1266 N GLY A 79 17.095 6.357 4.670 1.00 -0.73 N ATOM 1267 CA GLY A 79 17.147 5.479 5.838 1.00 0.36 C ATOM 1268 C GLY A 79 15.749 5.299 6.444 1.00 0.57 C ATOM 1269 O GLY A 79 14.775 5.725 5.846 1.00 -0.57 O ATOM 0 H GLY A 79 16.148 6.466 4.307 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.552 4.509 5.552 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.821 5.898 6.585 1.00 0.36 H new ATOM 1273 N ASN A 80 15.638 4.726 7.648 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.416 4.713 8.478 1.00 0.36 C ATOM 1275 C ASN A 80 13.115 4.449 7.673 1.00 0.57 C ATOM 1276 O ASN A 80 13.084 3.540 6.849 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.341 6.004 9.335 1.00 0.06 C ATOM 1278 CG ASN A 80 15.643 6.460 10.001 1.00 0.57 C ATOM 1279 OD1 ASN A 80 16.583 5.696 10.188 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 15.717 7.734 10.370 1.00 -0.80 N ATOM 0 H ASN A 80 16.419 4.241 8.091 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.491 3.858 9.150 1.00 0.36 H new ATOM 0 HB2 ASN A 80 13.981 6.814 8.701 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.594 5.853 10.114 1.00 0.06 H new ATOM 0 HD21 ASN A 80 16.564 8.088 10.815 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 14.927 8.359 10.208 1.00 -0.80 H new ATOM 1287 N THR A 81 12.026 5.185 7.950 1.00 -0.73 N ATOM 1288 CA THR A 81 10.752 5.176 7.230 1.00 0.36 C ATOM 1289 C THR A 81 10.952 5.564 5.752 1.00 0.57 C ATOM 1290 O THR A 81 11.441 6.647 5.462 1.00 -0.57 O ATOM 1291 CB THR A 81 9.807 6.184 7.924 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.871 6.044 9.332 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.339 6.045 7.509 1.00 0.00 C ATOM 0 H THR A 81 12.016 5.841 8.731 1.00 -0.73 H new ATOM 0 HA THR A 81 10.323 4.174 7.250 1.00 0.36 H new ATOM 0 HB THR A 81 10.159 7.165 7.604 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.268 6.691 9.753 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.740 6.786 8.038 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.248 6.205 6.435 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.983 5.045 7.759 1.00 0.00 H new ATOM 1301 N LEU A 82 10.536 4.720 4.805 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.719 4.925 3.367 1.00 0.36 C ATOM 1303 C LEU A 82 9.472 5.489 2.673 1.00 0.57 C ATOM 1304 O LEU A 82 9.584 6.170 1.651 1.00 -0.57 O ATOM 1305 CB LEU A 82 11.088 3.588 2.708 1.00 0.00 C ATOM 1306 CG LEU A 82 12.426 2.997 3.204 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.304 1.948 4.312 1.00 0.00 C ATOM 1308 CD2 LEU A 82 13.117 2.314 2.036 1.00 0.00 C ATOM 0 H LEU A 82 10.049 3.851 5.024 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.516 5.660 3.252 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.291 2.868 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.141 3.728 1.628 1.00 0.00 H new ATOM 0 HG LEU A 82 12.978 3.842 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.297 1.595 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.820 2.392 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.708 1.108 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.064 1.891 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.480 1.518 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.303 3.043 1.247 1.00 0.00 H new ATOM 1320 N ALA A 83 8.279 5.194 3.198 1.00 -0.73 N ATOM 1321 CA ALA A 83 7.008 5.664 2.672 1.00 0.36 C ATOM 1322 C ALA A 83 5.980 5.601 3.805 1.00 0.57 C ATOM 1323 O ALA A 83 6.204 4.903 4.796 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.607 4.804 1.464 1.00 0.00 C ATOM 0 H ALA A 83 8.175 4.604 4.024 1.00 -0.73 H new ATOM 0 HA ALA A 83 7.073 6.694 2.321 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.654 5.155 1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.372 4.883 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.510 3.764 1.774 1.00 0.00 H new ATOM 1330 N HIS A 84 4.886 6.352 3.707 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.824 6.318 4.702 1.00 0.36 C ATOM 1332 C HIS A 84 2.481 6.477 4.009 1.00 0.57 C ATOM 1333 O HIS A 84 2.384 7.106 2.955 1.00 -0.57 O ATOM 1334 CB HIS A 84 4.036 7.394 5.790 1.00 0.17 C ATOM 1335 CG HIS A 84 3.976 8.845 5.350 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.894 9.821 5.678 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 2.950 9.487 4.699 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.436 10.998 5.218 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.260 10.845 4.598 1.00 -0.70 N ATOM 0 H HIS A 84 4.713 6.999 2.937 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.844 5.354 5.211 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.284 7.244 6.565 1.00 0.17 H new ATOM 0 HB3 HIS A 84 5.008 7.221 6.252 1.00 0.17 H new ATOM 0 HD2 HIS A 84 2.051 9.018 4.327 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.949 11.941 5.333 1.00 0.65 H new ATOM 0 HE2 HIS A 84 2.704 11.571 4.145 1.00 -0.70 H new ATOM 1348 N ALA A 85 1.421 6.000 4.660 1.00 -0.73 N ATOM 1349 CA ALA A 85 0.073 6.059 4.137 1.00 0.36 C ATOM 1350 C ALA A 85 -0.908 6.241 5.279 1.00 0.57 C ATOM 1351 O ALA A 85 -0.575 5.992 6.442 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.222 4.770 3.366 1.00 0.00 C ATOM 0 H ALA A 85 1.484 5.558 5.577 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.029 6.906 3.459 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.236 4.808 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.486 4.668 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.126 3.915 4.036 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.125 6.651 4.927 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.173 6.949 5.887 1.00 0.36 C ATOM 1360 C PHE A 86 -4.336 5.974 5.663 1.00 0.57 C ATOM 1361 O PHE A 86 -4.538 5.479 4.554 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.590 8.425 5.735 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.455 9.407 5.438 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.322 9.509 6.269 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.513 10.188 4.270 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.272 10.387 5.931 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.476 11.074 3.936 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.353 11.178 4.770 1.00 -0.15 C ATOM 0 H PHE A 86 -2.409 6.785 3.957 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.826 6.817 6.912 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.326 8.495 4.934 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.087 8.739 6.653 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.258 8.913 7.167 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.370 10.105 3.618 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.599 10.453 6.566 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.543 11.673 3.040 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.445 11.862 4.522 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.110 5.704 6.718 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.301 4.857 6.659 1.00 0.36 C ATOM 1380 C ALA A 87 -7.362 5.471 5.737 1.00 0.57 C ATOM 1381 O ALA A 87 -7.337 6.686 5.559 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.896 4.781 8.061 1.00 0.00 C ATOM 0 H ALA A 87 -4.923 6.074 7.650 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.018 3.875 6.280 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.787 4.154 8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.163 4.352 8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.163 5.783 8.398 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.327 4.700 5.205 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.382 5.241 4.362 1.00 0.36 C ATOM 1390 C PRO A 88 -10.363 6.105 5.150 1.00 0.57 C ATOM 1391 O PRO A 88 -10.490 6.000 6.372 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.097 4.040 3.753 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.770 2.865 4.655 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.521 3.278 5.429 1.00 0.30 C ATOM 0 HA PRO A 88 -8.958 5.892 3.598 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.173 4.208 3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.757 3.857 2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.597 2.648 5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.589 1.962 4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.641 3.069 6.492 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.653 2.713 5.089 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.110 6.932 4.419 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.066 7.863 4.984 1.00 0.36 C ATOM 1404 C GLY A 89 -12.606 8.726 3.857 1.00 0.57 C ATOM 1405 O GLY A 89 -13.027 8.187 2.837 1.00 -0.57 O ATOM 0 H GLY A 89 -11.061 6.969 3.401 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -12.878 7.325 5.474 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.590 8.483 5.744 1.00 0.36 H new ATOM 1409 N THR A 90 -12.538 10.046 4.028 1.00 -0.73 N ATOM 1410 CA THR A 90 -13.038 11.035 3.083 1.00 0.36 C ATOM 1411 C THR A 90 -12.024 12.178 3.086 1.00 0.57 C ATOM 1412 O THR A 90 -12.002 12.990 4.006 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.458 11.459 3.515 1.00 0.28 C ATOM 1414 OG1 THR A 90 -15.352 10.398 3.247 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -15.004 12.704 2.804 1.00 0.00 C ATOM 0 H THR A 90 -12.119 10.467 4.857 1.00 -0.73 H new ATOM 0 HA THR A 90 -13.133 10.659 2.064 1.00 0.36 H new ATOM 0 HB THR A 90 -14.380 11.702 4.575 1.00 0.28 H new ATOM 0 HG1 THR A 90 -16.257 10.656 3.519 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -16.006 12.924 3.173 1.00 0.00 H new ATOM 0 HG22 THR A 90 -14.350 13.553 3.003 1.00 0.00 H new ATOM 0 HG23 THR A 90 -15.045 12.521 1.730 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.127 12.207 2.096 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.153 13.280 1.936 1.00 0.36 C ATOM 1425 C GLY A 91 -8.757 12.698 2.000 1.00 0.57 C ATOM 1426 O GLY A 91 -8.488 11.770 1.245 1.00 -0.57 O ATOM 0 H GLY A 91 -11.059 11.482 1.382 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.305 13.787 0.983 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.285 14.027 2.719 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.899 13.219 2.891 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.525 12.747 3.093 1.00 0.36 C ATOM 1432 C LEU A 92 -6.469 11.227 3.312 1.00 0.57 C ATOM 1433 O LEU A 92 -5.542 10.575 2.848 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.896 13.490 4.288 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.386 13.188 4.467 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.517 14.353 3.984 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -4.064 12.853 5.926 1.00 0.00 C ATOM 0 H LEU A 92 -8.149 13.996 3.503 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.955 12.962 2.189 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -6.032 14.563 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.426 13.214 5.199 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.154 12.319 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.465 14.105 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.708 14.535 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.759 15.249 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.999 12.645 6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.329 13.699 6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.635 11.976 6.233 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.465 10.645 3.987 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.531 9.206 4.188 1.00 0.36 C ATOM 1451 C GLY A 93 -7.251 8.423 2.896 1.00 0.57 C ATOM 1452 O GLY A 93 -7.713 8.815 1.822 1.00 -0.57 O ATOM 0 H GLY A 93 -8.240 11.160 4.404 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.809 8.914 4.951 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.518 8.939 4.565 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.455 7.355 3.002 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.038 6.477 1.917 1.00 0.36 C ATOM 1458 C GLY A 94 -4.834 6.974 1.132 1.00 0.57 C ATOM 1459 O GLY A 94 -4.170 6.147 0.493 1.00 -0.57 O ATOM 0 H GLY A 94 -6.065 7.068 3.900 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -5.807 5.495 2.329 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -6.875 6.346 1.231 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.568 8.288 1.175 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.463 8.896 0.449 1.00 0.36 C ATOM 1465 C ASP A 95 -2.163 8.411 1.092 1.00 0.57 C ATOM 1466 O ASP A 95 -2.117 8.049 2.275 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.611 10.442 0.423 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.929 10.852 -0.261 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.318 10.217 -1.228 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.686 11.847 0.193 1.00 -0.65 O ATOM 0 H ASP A 95 -5.119 8.953 1.718 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.458 8.594 -0.598 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.587 10.832 1.441 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.768 10.884 -0.107 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.111 8.359 0.281 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.162 7.782 0.635 1.00 0.36 C ATOM 1478 C ALA A 96 1.268 8.581 -0.030 1.00 0.57 C ATOM 1479 O ALA A 96 1.126 9.108 -1.141 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.203 6.309 0.210 1.00 0.00 C ATOM 0 H ALA A 96 -1.131 8.732 -0.668 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.305 7.820 1.715 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.167 5.879 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.593 5.762 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.063 6.238 -0.869 1.00 0.00 H new ATOM 1486 N HIS A 97 2.401 8.645 0.657 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.560 9.385 0.223 1.00 0.36 C ATOM 1488 C HIS A 97 4.775 8.492 0.348 1.00 0.57 C ATOM 1489 O HIS A 97 4.810 7.579 1.169 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.725 10.682 1.021 1.00 0.17 C ATOM 1491 CG HIS A 97 2.698 11.744 0.716 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.195 12.654 1.629 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 2.148 12.013 -0.508 1.00 0.20 C ATOM 1494 CE1 HIS A 97 1.344 13.457 0.958 1.00 0.65 C ATOM 1495 NE2 HIS A 97 1.312 13.091 -0.340 1.00 -0.70 N ATOM 0 H HIS A 97 2.534 8.171 1.550 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.437 9.681 -0.819 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.680 10.447 2.084 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.717 11.089 0.826 1.00 0.17 H new ATOM 0 HD2 HIS A 97 2.335 11.481 -1.429 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.777 14.267 1.392 1.00 0.65 H new ATOM 0 HE2 HIS A 97 0.761 13.538 -1.073 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.785 8.790 -0.458 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.971 7.977 -0.626 1.00 0.36 C ATOM 1506 C PHE A 98 8.176 8.910 -0.655 1.00 0.57 C ATOM 1507 O PHE A 98 8.078 10.071 -1.066 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.850 7.203 -1.947 1.00 0.14 C ATOM 1509 CG PHE A 98 5.797 6.107 -1.992 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.424 6.429 -2.030 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.183 4.752 -1.999 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.453 5.419 -1.976 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 5.206 3.738 -2.009 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.842 4.072 -1.981 1.00 -0.15 C ATOM 0 H PHE A 98 5.797 9.634 -1.030 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.086 7.262 0.189 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.636 7.916 -2.743 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.819 6.756 -2.172 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.118 7.462 -2.101 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.231 4.490 -1.997 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.406 5.679 -1.931 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.506 2.701 -2.038 1.00 -0.15 H new ATOM 0 HZ PHE A 98 3.094 3.293 -1.963 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.327 8.404 -0.231 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.562 9.158 -0.274 1.00 0.36 C ATOM 1526 C ASP A 99 11.260 8.844 -1.606 1.00 0.57 C ATOM 1527 O ASP A 99 11.926 7.823 -1.738 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.373 8.812 0.977 1.00 0.06 C ATOM 1529 CG ASP A 99 12.483 9.830 1.251 1.00 0.66 C ATOM 1530 OD1 ASP A 99 12.788 10.015 2.418 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 12.994 10.487 0.214 1.00 -0.65 O ATOM 0 H ASP A 99 9.425 7.463 0.150 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.413 10.238 -0.251 1.00 0.36 H new ATOM 0 HB2 ASP A 99 10.706 8.765 1.838 1.00 0.06 H new ATOM 0 HB3 ASP A 99 11.813 7.822 0.860 1.00 0.06 H new ATOM 1537 N GLU A 100 11.053 9.679 -2.635 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.698 9.591 -3.953 1.00 0.36 C ATOM 1539 C GLU A 100 13.228 9.574 -3.824 1.00 0.57 C ATOM 1540 O GLU A 100 13.898 9.036 -4.703 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.313 10.803 -4.843 1.00 0.00 C ATOM 1542 CG GLU A 100 11.309 10.490 -6.359 1.00 0.06 C ATOM 1543 CD GLU A 100 11.818 11.631 -7.279 1.00 0.66 C ATOM 1544 OE1 GLU A 100 12.803 12.280 -6.967 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 11.189 11.828 -8.434 1.00 -0.65 O ATOM 0 H GLU A 100 10.406 10.465 -2.569 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.352 8.663 -4.408 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.324 11.156 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.011 11.618 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.924 9.607 -6.531 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.292 10.234 -6.656 1.00 0.06 H new ATOM 1553 N ASP A 101 13.779 10.187 -2.764 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.224 10.259 -2.542 1.00 0.36 C ATOM 1555 C ASP A 101 15.798 8.874 -2.258 1.00 0.57 C ATOM 1556 O ASP A 101 16.914 8.551 -2.688 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.537 11.184 -1.355 1.00 0.06 C ATOM 1558 CG ASP A 101 16.856 11.943 -1.526 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.837 11.360 -1.959 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 16.838 13.238 -1.225 1.00 -0.65 O ATOM 0 H ASP A 101 13.230 10.646 -2.038 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.681 10.658 -3.448 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.724 11.900 -1.234 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.579 10.592 -0.441 1.00 0.06 H new ATOM 1566 N GLU A 102 15.015 8.057 -1.540 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.342 6.668 -1.282 1.00 0.36 C ATOM 1568 C GLU A 102 15.240 5.913 -2.594 1.00 0.57 C ATOM 1569 O GLU A 102 14.254 6.034 -3.317 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.418 6.066 -0.217 1.00 0.00 C ATOM 1571 CG GLU A 102 14.632 6.801 1.107 1.00 0.06 C ATOM 1572 CD GLU A 102 14.782 5.862 2.291 1.00 0.66 C ATOM 1573 OE1 GLU A 102 13.958 5.992 3.181 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 15.835 5.050 2.321 1.00 -0.65 O ATOM 0 H GLU A 102 14.133 8.354 -1.123 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.355 6.592 -0.888 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.378 6.152 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.628 5.003 -0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.523 7.424 1.030 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.790 7.469 1.285 1.00 0.06 H new ATOM 1582 N ARG A 103 16.272 5.134 -2.919 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.267 4.336 -4.135 1.00 0.36 C ATOM 1584 C ARG A 103 15.065 3.393 -4.156 1.00 0.57 C ATOM 1585 O ARG A 103 14.754 2.733 -3.165 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.565 3.538 -4.261 1.00 0.00 C ATOM 1587 CG ARG A 103 18.758 4.422 -4.650 1.00 0.00 C ATOM 1588 CD ARG A 103 19.887 3.545 -5.199 1.00 0.33 C ATOM 1589 NE ARG A 103 19.624 3.177 -6.605 1.00 -0.84 N ATOM 1590 CZ ARG A 103 20.317 2.303 -7.341 1.00 1.20 C ATOM 1591 NH1 ARG A 103 21.348 1.645 -6.798 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 19.951 2.108 -8.613 1.00 -0.97 N ATOM 0 H ARG A 103 17.118 5.042 -2.356 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.192 5.014 -4.985 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.777 3.042 -3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.437 2.756 -5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.454 5.153 -5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 103 19.107 4.982 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 103 20.835 4.078 -5.128 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.982 2.644 -4.593 1.00 0.33 H new ATOM 0 HE ARG A 103 18.835 3.636 -7.060 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 21.603 1.811 -5.825 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 21.879 0.977 -7.358 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 19.159 2.621 -9.000 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 20.464 1.446 -9.196 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.473 3.238 -5.337 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.340 2.362 -5.586 1.00 0.36 C ATOM 1608 C TRP A 104 13.754 1.406 -6.704 1.00 0.57 C ATOM 1609 O TRP A 104 14.567 1.772 -7.551 1.00 -0.57 O ATOM 1610 CB TRP A 104 12.118 3.218 -5.963 1.00 0.18 C ATOM 1611 CG TRP A 104 11.590 4.078 -4.850 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.759 5.414 -4.723 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.915 3.658 -3.621 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.277 5.834 -3.501 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.755 4.795 -2.775 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.482 2.418 -3.103 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.222 4.711 -1.480 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.933 2.323 -1.809 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.804 3.461 -0.995 1.00 -0.15 C ATOM 0 H TRP A 104 14.781 3.736 -6.172 1.00 -0.73 H new ATOM 0 HA TRP A 104 13.060 1.780 -4.708 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.385 3.858 -6.804 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.320 2.559 -6.305 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.205 6.056 -5.468 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.305 6.801 -3.177 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.573 1.528 -3.708 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 10.134 5.595 -0.865 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.607 1.363 -1.438 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.386 3.375 -0.003 1.00 -0.15 H new ATOM 1630 N THR A 105 13.207 0.190 -6.711 1.00 -0.73 N ATOM 1631 CA THR A 105 13.433 -0.799 -7.761 1.00 0.36 C ATOM 1632 C THR A 105 12.088 -1.468 -8.081 1.00 0.57 C ATOM 1633 O THR A 105 11.265 -1.611 -7.181 1.00 -0.57 O ATOM 1634 CB THR A 105 14.526 -1.801 -7.354 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.859 -2.526 -8.518 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.090 -2.759 -6.243 1.00 0.00 C ATOM 0 H THR A 105 12.584 -0.139 -5.974 1.00 -0.73 H new ATOM 0 HA THR A 105 13.806 -0.320 -8.666 1.00 0.36 H new ATOM 0 HB THR A 105 15.377 -1.254 -6.947 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.808 -2.395 -8.725 1.00 -0.68 H new ATOM 0 HG21 THR A 105 14.909 -3.438 -6.006 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.823 -2.188 -5.354 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.227 -3.335 -6.577 1.00 0.00 H new ATOM 1644 N ASP A 106 11.843 -1.883 -9.328 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.642 -2.647 -9.702 1.00 0.36 C ATOM 1646 C ASP A 106 10.644 -3.972 -8.933 1.00 0.57 C ATOM 1647 O ASP A 106 9.709 -4.280 -8.193 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.646 -2.866 -11.233 1.00 0.06 C ATOM 1649 CG ASP A 106 9.653 -3.896 -11.825 1.00 0.66 C ATOM 1650 OD1 ASP A 106 8.934 -4.579 -11.115 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 9.663 -4.006 -13.150 1.00 -0.65 O ATOM 0 H ASP A 106 12.471 -1.700 -10.110 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.732 -2.106 -9.442 1.00 0.36 H new ATOM 0 HB2 ASP A 106 10.452 -1.904 -11.708 1.00 0.06 H new ATOM 0 HB3 ASP A 106 11.652 -3.168 -11.524 1.00 0.06 H new ATOM 1657 N GLY A 107 11.750 -4.710 -9.061 1.00 -0.73 N ATOM 1658 CA GLY A 107 11.865 -6.075 -8.598 1.00 0.36 C ATOM 1659 C GLY A 107 13.260 -6.602 -8.914 1.00 0.57 C ATOM 1660 O GLY A 107 13.434 -7.377 -9.853 1.00 -0.57 O ATOM 0 H GLY A 107 12.601 -4.359 -9.499 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.681 -6.123 -7.525 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.111 -6.698 -9.079 1.00 0.36 H new ATOM 1664 N SER A 108 14.269 -6.126 -8.175 1.00 -0.73 N ATOM 1665 CA SER A 108 15.637 -6.631 -8.268 1.00 0.36 C ATOM 1666 C SER A 108 16.408 -6.271 -6.992 1.00 0.57 C ATOM 1667 O SER A 108 16.114 -5.256 -6.357 1.00 -0.57 O ATOM 1668 CB SER A 108 16.317 -6.063 -9.527 1.00 0.28 C ATOM 1669 OG SER A 108 16.314 -4.644 -9.554 1.00 -0.68 O ATOM 0 H SER A 108 14.155 -5.376 -7.493 1.00 -0.73 H new ATOM 0 HA SER A 108 15.628 -7.717 -8.357 1.00 0.36 H new ATOM 0 HB2 SER A 108 17.345 -6.422 -9.574 1.00 0.28 H new ATOM 0 HB3 SER A 108 15.807 -6.441 -10.413 1.00 0.28 H new ATOM 0 HG SER A 108 15.543 -4.309 -9.051 1.00 -0.68 H new ATOM 1675 N SER A 109 17.401 -7.087 -6.618 1.00 -0.73 N ATOM 1676 CA SER A 109 18.302 -6.819 -5.497 1.00 0.36 C ATOM 1677 C SER A 109 19.205 -5.614 -5.805 1.00 0.57 C ATOM 1678 O SER A 109 20.316 -5.785 -6.327 1.00 -0.57 O ATOM 1679 CB SER A 109 19.117 -8.081 -5.172 1.00 0.28 C ATOM 1680 OG SER A 109 18.415 -8.899 -4.260 1.00 -0.68 O ATOM 0 H SER A 109 17.602 -7.966 -7.095 1.00 -0.73 H new ATOM 0 HA SER A 109 17.716 -6.562 -4.615 1.00 0.36 H new ATOM 0 HB2 SER A 109 19.319 -8.637 -6.088 1.00 0.28 H new ATOM 0 HB3 SER A 109 20.082 -7.800 -4.750 1.00 0.28 H new ATOM 0 HG SER A 109 18.945 -9.700 -4.064 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.706 -4.404 -5.493 1.00 -0.73 N ATOM 1687 CA LEU A 110 19.378 -3.116 -5.696 1.00 0.36 C ATOM 1688 C LEU A 110 18.765 -2.019 -4.814 1.00 0.57 C ATOM 1689 O LEU A 110 19.472 -1.383 -4.034 1.00 -0.57 O ATOM 1690 CB LEU A 110 19.254 -2.718 -7.186 1.00 0.00 C ATOM 1691 CG LEU A 110 20.565 -2.950 -7.961 1.00 0.00 C ATOM 1692 CD1 LEU A 110 20.271 -3.305 -9.422 1.00 0.00 C ATOM 1693 CD2 LEU A 110 21.466 -1.712 -7.874 1.00 0.00 C ATOM 0 H LEU A 110 17.782 -4.297 -5.074 1.00 -0.73 H new ATOM 0 HA LEU A 110 20.426 -3.221 -5.416 1.00 0.36 H new ATOM 0 HB2 LEU A 110 18.453 -3.295 -7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.973 -1.667 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 110 21.091 -3.789 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 110 21.209 -3.465 -9.953 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.671 -4.214 -9.462 1.00 0.00 H new ATOM 0 HD13 LEU A 110 19.723 -2.488 -9.892 1.00 0.00 H new ATOM 0 HD21 LEU A 110 22.388 -1.893 -8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.948 -0.854 -8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.703 -1.507 -6.830 1.00 0.00 H new ATOM 1705 N GLY A 111 17.447 -1.813 -4.927 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.711 -0.768 -4.224 1.00 0.36 C ATOM 1707 C GLY A 111 15.582 -1.380 -3.404 1.00 0.57 C ATOM 1708 O GLY A 111 15.700 -2.504 -2.901 1.00 -0.57 O ATOM 0 H GLY A 111 16.853 -2.386 -5.526 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.386 -0.214 -3.571 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.304 -0.055 -4.941 1.00 0.36 H new ATOM 1712 N ILE A 112 14.486 -0.632 -3.267 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.333 -1.041 -2.479 1.00 0.36 C ATOM 1714 C ILE A 112 12.216 -1.396 -3.454 1.00 0.57 C ATOM 1715 O ILE A 112 11.892 -0.587 -4.326 1.00 -0.57 O ATOM 1716 CB ILE A 112 12.927 0.093 -1.522 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.135 0.633 -0.721 1.00 0.00 C ATOM 1718 CG2 ILE A 112 11.780 -0.386 -0.610 1.00 0.00 C ATOM 1719 CD1 ILE A 112 14.736 -0.316 0.322 1.00 0.00 C ATOM 0 H ILE A 112 14.377 0.282 -3.706 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.559 -1.910 -1.861 1.00 0.36 H new ATOM 0 HB ILE A 112 12.564 0.936 -2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 112 14.919 0.907 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.828 1.548 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.494 0.419 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.923 -0.668 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.112 -1.248 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.575 0.173 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 112 13.977 -0.572 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.084 -1.224 -0.170 1.00 0.00 H new ATOM 1731 N ASN A 113 11.688 -2.620 -3.330 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.679 -3.176 -4.227 1.00 0.36 C ATOM 1733 C ASN A 113 9.444 -2.273 -4.242 1.00 0.57 C ATOM 1734 O ASN A 113 8.684 -2.243 -3.272 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.341 -4.617 -3.798 1.00 0.06 C ATOM 1736 CG ASN A 113 9.353 -5.305 -4.741 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.458 -4.687 -5.301 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.451 -6.615 -4.906 1.00 -0.80 N ATOM 0 H ASN A 113 11.959 -3.262 -2.585 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.066 -3.217 -5.245 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.260 -5.202 -3.754 1.00 0.06 H new ATOM 0 HB3 ASN A 113 9.924 -4.602 -2.791 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.781 -7.106 -5.499 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.196 -7.133 -4.441 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.250 -1.555 -5.350 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.148 -0.642 -5.576 1.00 0.36 C ATOM 1747 C PHE A 114 6.819 -1.386 -5.499 1.00 0.57 C ATOM 1748 O PHE A 114 5.894 -0.913 -4.842 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.316 0.023 -6.955 1.00 0.14 C ATOM 1750 CG PHE A 114 7.216 1.022 -7.268 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 5.903 0.591 -7.548 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.488 2.396 -7.177 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 4.846 1.511 -7.588 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.437 3.320 -7.264 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.110 2.873 -7.394 1.00 -0.15 C ATOM 0 H PHE A 114 9.889 -1.602 -6.143 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.150 0.127 -4.804 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.281 0.529 -6.994 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.329 -0.748 -7.725 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.710 -0.455 -7.733 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.503 2.740 -7.041 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 3.836 1.172 -7.767 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 6.647 4.379 -7.231 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.295 3.580 -7.344 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.717 -2.539 -6.177 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.489 -3.326 -6.232 1.00 0.36 C ATOM 1767 C LEU A 115 5.065 -3.662 -4.794 1.00 0.57 C ATOM 1768 O LEU A 115 3.885 -3.565 -4.444 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.739 -4.594 -7.089 1.00 0.00 C ATOM 1770 CG LEU A 115 4.474 -5.319 -7.600 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.813 -4.591 -8.767 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.810 -6.720 -8.131 1.00 0.00 C ATOM 0 H LEU A 115 7.490 -2.948 -6.702 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.677 -2.771 -6.702 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.347 -4.314 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.326 -5.298 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 115 3.807 -5.356 -6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.929 -5.143 -9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.521 -3.589 -8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.516 -4.520 -9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.899 -7.204 -8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.518 -6.636 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.252 -7.316 -7.332 1.00 0.00 H new ATOM 1784 N TYR A 116 6.030 -4.081 -3.964 1.00 -0.73 N ATOM 1785 CA TYR A 116 5.782 -4.485 -2.585 1.00 0.36 C ATOM 1786 C TYR A 116 5.485 -3.268 -1.715 1.00 0.57 C ATOM 1787 O TYR A 116 4.573 -3.321 -0.893 1.00 -0.57 O ATOM 1788 CB TYR A 116 6.981 -5.258 -2.023 1.00 0.14 C ATOM 1789 CG TYR A 116 6.607 -6.258 -0.942 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.310 -5.837 0.369 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 6.546 -7.626 -1.263 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 5.998 -6.789 1.360 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 6.270 -8.582 -0.270 1.00 -0.15 C ATOM 1794 CZ TYR A 116 6.026 -8.168 1.056 1.00 0.08 C ATOM 1795 OH TYR A 116 5.828 -9.097 2.032 1.00 -0.53 O ATOM 0 H TYR A 116 7.010 -4.147 -4.239 1.00 -0.73 H new ATOM 0 HA TYR A 116 4.912 -5.141 -2.575 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.477 -5.785 -2.838 1.00 0.14 H new ATOM 0 HB3 TYR A 116 7.702 -4.549 -1.616 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.321 -4.785 0.614 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 6.713 -7.945 -2.281 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 5.736 -6.463 2.356 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 6.245 -9.632 -0.522 1.00 -0.15 H new ATOM 0 HH TYR A 116 5.880 -9.995 1.644 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.231 -2.173 -1.907 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.013 -0.917 -1.206 1.00 0.36 C ATOM 1807 C ALA A 117 4.585 -0.438 -1.430 1.00 0.57 C ATOM 1808 O ALA A 117 3.869 -0.157 -0.468 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.021 0.125 -1.704 1.00 0.00 C ATOM 0 H ALA A 117 7.011 -2.142 -2.563 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.159 -1.064 -0.136 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.859 1.067 -1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.034 -0.228 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.887 0.278 -2.775 1.00 0.00 H new ATOM 1815 N ALA A 118 4.155 -0.420 -2.695 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.798 -0.075 -3.061 1.00 0.36 C ATOM 1817 C ALA A 118 1.827 -1.051 -2.397 1.00 0.57 C ATOM 1818 O ALA A 118 1.003 -0.605 -1.615 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.659 -0.044 -4.587 1.00 0.00 C ATOM 0 H ALA A 118 4.750 -0.647 -3.491 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.551 0.924 -2.701 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.635 0.216 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.342 0.699 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.902 -1.025 -4.994 1.00 0.00 H new ATOM 1825 N THR A 119 1.957 -2.365 -2.613 1.00 -0.73 N ATOM 1826 CA THR A 119 1.081 -3.380 -2.011 1.00 0.36 C ATOM 1827 C THR A 119 0.970 -3.232 -0.492 1.00 0.57 C ATOM 1828 O THR A 119 -0.109 -3.446 0.065 1.00 -0.57 O ATOM 1829 CB THR A 119 1.624 -4.764 -2.389 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.611 -4.839 -3.791 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.834 -5.974 -1.875 1.00 0.00 C ATOM 0 H THR A 119 2.679 -2.759 -3.216 1.00 -0.73 H new ATOM 0 HA THR A 119 0.071 -3.248 -2.399 1.00 0.36 H new ATOM 0 HB THR A 119 2.607 -4.831 -1.922 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.439 -4.453 -4.147 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.317 -6.892 -2.208 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.805 -5.954 -0.786 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.183 -5.937 -2.266 1.00 0.00 H new ATOM 1839 N HIS A 120 2.063 -2.852 0.178 1.00 -0.73 N ATOM 1840 CA HIS A 120 2.038 -2.557 1.595 1.00 0.36 C ATOM 1841 C HIS A 120 1.138 -1.336 1.842 1.00 0.57 C ATOM 1842 O HIS A 120 0.140 -1.423 2.552 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.474 -2.391 2.125 1.00 0.17 C ATOM 1844 CG HIS A 120 3.573 -2.142 3.612 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.331 -2.857 4.527 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.953 -1.139 4.304 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.163 -2.283 5.735 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.310 -1.252 5.624 1.00 -0.70 N ATOM 0 H HIS A 120 2.981 -2.744 -0.254 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.606 -3.385 2.157 1.00 0.36 H new ATOM 0 HB2 HIS A 120 4.043 -3.289 1.882 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.947 -1.562 1.599 1.00 0.17 H new ATOM 0 HD1 HIS A 120 4.911 -3.671 4.323 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.298 -0.390 3.885 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.640 -2.603 6.650 1.00 0.65 H new ATOM 1857 N GLU A 121 1.489 -0.183 1.274 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.820 1.087 1.559 1.00 0.36 C ATOM 1859 C GLU A 121 -0.660 1.034 1.152 1.00 0.57 C ATOM 1860 O GLU A 121 -1.538 1.434 1.917 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.558 2.200 0.809 1.00 0.00 C ATOM 1862 CG GLU A 121 3.039 2.326 1.219 1.00 0.06 C ATOM 1863 CD GLU A 121 3.288 3.492 2.163 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.506 3.238 3.336 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.263 4.709 1.627 1.00 -0.65 O ATOM 0 H GLU A 121 2.250 -0.103 0.599 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.848 1.285 2.630 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.499 2.009 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.054 3.149 0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.359 1.401 1.698 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.650 2.450 0.325 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.934 0.461 -0.022 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.265 0.256 -0.573 1.00 0.36 C ATOM 1875 C LEU A 122 -3.114 -0.646 0.308 1.00 0.57 C ATOM 1876 O LEU A 122 -4.327 -0.446 0.372 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.173 -0.380 -1.973 1.00 0.00 C ATOM 1878 CG LEU A 122 -2.060 0.609 -3.145 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -3.246 1.564 -3.153 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -0.794 1.469 -3.209 1.00 0.00 C ATOM 0 H LEU A 122 -0.198 0.114 -0.637 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.737 1.237 -0.629 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.308 -1.043 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.055 -1.001 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.029 -0.052 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.150 2.257 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.170 0.996 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.268 2.124 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.841 2.121 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.720 2.075 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.081 0.823 -3.285 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.497 -1.617 0.990 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.183 -2.408 1.988 1.00 0.36 C ATOM 1894 C GLY A 123 -3.822 -1.510 3.038 1.00 0.57 C ATOM 1895 O GLY A 123 -5.004 -1.676 3.360 1.00 -0.57 O ATOM 0 H GLY A 123 -1.517 -1.866 0.859 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.948 -3.020 1.511 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.480 -3.091 2.465 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.074 -0.504 3.512 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.623 0.460 4.448 1.00 0.36 C ATOM 1901 C HIS A 124 -4.690 1.315 3.813 1.00 0.57 C ATOM 1902 O HIS A 124 -5.743 1.486 4.422 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.569 1.371 5.071 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.508 0.602 5.783 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.718 -0.276 6.812 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.170 0.640 5.528 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.516 -0.744 7.179 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.461 -0.227 6.421 1.00 -0.70 N ATOM 0 H HIS A 124 -2.098 -0.346 3.260 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.060 -0.144 5.243 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -2.112 1.981 4.292 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -3.050 2.055 5.770 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.316 1.236 4.769 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.356 -1.448 7.983 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.459 -0.426 6.484 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.451 1.802 2.589 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.449 2.570 1.868 1.00 0.36 C ATOM 1919 C SER A 125 -6.769 1.808 1.778 1.00 0.57 C ATOM 1920 O SER A 125 -7.824 2.413 1.905 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.975 2.909 0.456 1.00 0.28 C ATOM 1922 OG SER A 125 -3.714 3.548 0.429 1.00 -0.68 O ATOM 0 H SER A 125 -3.573 1.673 2.086 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.602 3.494 2.425 1.00 0.36 H new ATOM 0 HB2 SER A 125 -4.923 1.993 -0.132 1.00 0.28 H new ATOM 0 HB3 SER A 125 -5.712 3.554 -0.022 1.00 0.28 H new ATOM 0 HG SER A 125 -3.798 4.454 0.794 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.730 0.486 1.581 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.917 -0.354 1.530 1.00 0.36 C ATOM 1930 C LEU A 126 -8.699 -0.331 2.845 1.00 0.57 C ATOM 1931 O LEU A 126 -9.934 -0.350 2.851 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.494 -1.801 1.197 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.311 -2.422 0.061 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.808 -2.355 0.383 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -7.963 -1.763 -1.285 1.00 0.00 C ATOM 0 H LEU A 126 -5.860 -0.031 1.452 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.577 0.039 0.756 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.439 -1.810 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.598 -2.418 2.090 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.051 -3.476 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.376 -2.800 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.007 -2.903 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.107 -1.314 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.555 -2.220 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.184 -0.697 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.903 -1.905 -1.496 1.00 0.00 H new ATOM 1947 N GLY A 127 -7.967 -0.307 3.959 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.530 -0.368 5.288 1.00 0.36 C ATOM 1949 C GLY A 127 -7.584 -0.983 6.307 1.00 0.57 C ATOM 1950 O GLY A 127 -7.752 -0.748 7.500 1.00 -0.57 O ATOM 0 H GLY A 127 -6.949 -0.243 3.952 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.797 0.639 5.610 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.452 -0.949 5.260 1.00 0.36 H new ATOM 1954 N MET A 128 -6.600 -1.777 5.872 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.684 -2.413 6.805 1.00 0.36 C ATOM 1956 C MET A 128 -4.989 -1.371 7.685 1.00 0.57 C ATOM 1957 O MET A 128 -4.837 -0.210 7.305 1.00 -0.57 O ATOM 1958 CB MET A 128 -4.643 -3.246 6.049 1.00 0.00 C ATOM 1959 CG MET A 128 -4.217 -4.460 6.883 1.00 0.23 C ATOM 1960 SD MET A 128 -4.958 -6.027 6.367 1.00 -0.46 S ATOM 1961 CE MET A 128 -6.715 -5.590 6.285 1.00 0.23 C ATOM 0 H MET A 128 -6.424 -1.989 4.890 1.00 -0.73 H new ATOM 0 HA MET A 128 -6.263 -3.074 7.450 1.00 0.36 H new ATOM 0 HB2 MET A 128 -5.057 -3.579 5.097 1.00 0.00 H new ATOM 0 HB3 MET A 128 -3.773 -2.631 5.821 1.00 0.00 H new ATOM 0 HG2 MET A 128 -3.132 -4.554 6.836 1.00 0.23 H new ATOM 0 HG3 MET A 128 -4.476 -4.277 7.926 1.00 0.23 H new ATOM 0 HE1 MET A 128 -7.270 -6.400 5.812 1.00 0.23 H new ATOM 0 HE2 MET A 128 -7.097 -5.428 7.293 1.00 0.23 H new ATOM 0 HE3 MET A 128 -6.836 -4.678 5.700 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.475 -1.791 8.838 1.00 -0.73 N ATOM 1972 CA GLY A 129 -3.744 -0.882 9.695 1.00 0.36 C ATOM 1973 C GLY A 129 -2.334 -1.350 9.973 1.00 0.57 C ATOM 1974 O GLY A 129 -1.450 -0.516 9.875 1.00 -0.57 O ATOM 0 H GLY A 129 -4.553 -2.745 9.191 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -3.710 0.103 9.229 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.278 -0.770 10.639 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.117 -2.644 10.218 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.840 -3.324 10.424 1.00 0.36 C ATOM 1980 C HIS A 130 -1.151 -4.716 10.976 1.00 0.57 C ATOM 1981 O HIS A 130 -2.311 -5.050 11.239 1.00 -0.57 O ATOM 1982 CB HIS A 130 0.118 -2.549 11.358 1.00 0.17 C ATOM 1983 CG HIS A 130 1.075 -1.636 10.636 1.00 0.18 C ATOM 1984 ND1 HIS A 130 1.253 -0.288 10.855 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.875 -1.980 9.586 1.00 0.20 C ATOM 1986 CE1 HIS A 130 2.143 0.159 9.952 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.555 -0.844 9.160 1.00 -0.70 N ATOM 0 H HIS A 130 -2.898 -3.297 10.282 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.312 -3.389 9.473 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -0.473 -1.958 12.058 1.00 0.17 H new ATOM 0 HB3 HIS A 130 0.690 -3.264 11.949 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.965 -2.967 9.158 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.480 1.182 9.874 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.231 -0.785 8.399 1.00 -0.70 H new ATOM 1996 N SER A 131 -0.108 -5.515 11.185 1.00 -0.73 N ATOM 1997 CA SER A 131 -0.182 -6.830 11.794 1.00 0.36 C ATOM 1998 C SER A 131 1.153 -7.072 12.498 1.00 0.57 C ATOM 1999 O SER A 131 2.028 -6.200 12.510 1.00 -0.57 O ATOM 2000 CB SER A 131 -0.447 -7.860 10.689 1.00 0.28 C ATOM 2001 OG SER A 131 -1.143 -9.017 11.130 1.00 -0.68 O ATOM 0 H SER A 131 0.842 -5.251 10.924 1.00 -0.73 H new ATOM 0 HA SER A 131 -0.988 -6.912 12.523 1.00 0.36 H new ATOM 0 HB2 SER A 131 -1.021 -7.384 9.894 1.00 0.28 H new ATOM 0 HB3 SER A 131 0.505 -8.165 10.255 1.00 0.28 H new ATOM 0 HG SER A 131 -1.277 -9.626 10.374 1.00 -0.68 H new ATOM 2007 N SER A 132 1.321 -8.270 13.050 1.00 -0.73 N ATOM 2008 CA SER A 132 2.465 -8.665 13.854 1.00 0.36 C ATOM 2009 C SER A 132 2.936 -10.051 13.407 1.00 0.57 C ATOM 2010 O SER A 132 2.871 -11.013 14.171 1.00 -0.57 O ATOM 2011 CB SER A 132 2.102 -8.576 15.346 1.00 0.28 C ATOM 2012 OG SER A 132 0.840 -9.167 15.630 1.00 -0.68 O ATOM 0 H SER A 132 0.636 -9.018 12.943 1.00 -0.73 H new ATOM 0 HA SER A 132 3.307 -7.988 13.707 1.00 0.36 H new ATOM 0 HB2 SER A 132 2.874 -9.071 15.936 1.00 0.28 H new ATOM 0 HB3 SER A 132 2.088 -7.530 15.653 1.00 0.28 H new ATOM 0 HG SER A 132 0.651 -9.089 16.588 1.00 -0.68 H new ATOM 2018 N ASP A 133 3.387 -10.157 12.148 1.00 -0.73 N ATOM 2019 CA ASP A 133 3.830 -11.423 11.568 1.00 0.36 C ATOM 2020 C ASP A 133 5.216 -11.257 10.933 1.00 0.57 C ATOM 2021 O ASP A 133 5.515 -10.180 10.412 1.00 -0.57 O ATOM 2022 CB ASP A 133 2.805 -11.935 10.539 1.00 0.06 C ATOM 2023 CG ASP A 133 2.462 -13.411 10.748 1.00 0.66 C ATOM 2024 OD1 ASP A 133 2.435 -14.097 9.740 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 2.262 -13.841 11.991 1.00 -0.65 O ATOM 0 H ASP A 133 3.453 -9.365 11.508 1.00 -0.73 H new ATOM 0 HA ASP A 133 3.905 -12.166 12.362 1.00 0.36 H new ATOM 0 HB2 ASP A 133 1.895 -11.339 10.608 1.00 0.06 H new ATOM 0 HB3 ASP A 133 3.202 -11.795 9.533 1.00 0.06 H new ATOM 2031 N PRO A 134 6.064 -12.306 10.944 1.00 -0.66 N ATOM 2032 CA PRO A 134 7.436 -12.221 10.449 1.00 0.36 C ATOM 2033 C PRO A 134 7.493 -12.091 8.921 1.00 0.57 C ATOM 2034 O PRO A 134 8.425 -11.485 8.397 1.00 -0.57 O ATOM 2035 CB PRO A 134 8.129 -13.498 10.942 1.00 0.00 C ATOM 2036 CG PRO A 134 7.006 -14.496 11.227 1.00 0.00 C ATOM 2037 CD PRO A 134 5.745 -13.654 11.390 1.00 0.30 C ATOM 0 HA PRO A 134 7.936 -11.327 10.821 1.00 0.36 H new ATOM 0 HB2 PRO A 134 8.816 -13.886 10.190 1.00 0.00 H new ATOM 0 HB3 PRO A 134 8.716 -13.303 11.839 1.00 0.00 H new ATOM 0 HG2 PRO A 134 6.899 -15.210 10.410 1.00 0.00 H new ATOM 0 HG3 PRO A 134 7.213 -15.072 12.129 1.00 0.00 H new ATOM 0 HD2 PRO A 134 4.927 -14.070 10.802 1.00 0.30 H new ATOM 0 HD3 PRO A 134 5.419 -13.648 12.430 1.00 0.30 H new ATOM 2045 N ASN A 135 6.475 -12.609 8.222 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.355 -12.613 6.763 1.00 0.36 C ATOM 2047 C ASN A 135 5.048 -11.908 6.365 1.00 0.57 C ATOM 2048 O ASN A 135 4.368 -12.302 5.415 1.00 -0.57 O ATOM 2049 CB ASN A 135 6.425 -14.058 6.221 1.00 0.06 C ATOM 2050 CG ASN A 135 7.789 -14.739 6.331 1.00 0.57 C ATOM 2051 OD1 ASN A 135 8.804 -14.138 6.665 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 7.835 -16.030 6.036 1.00 -0.80 N ATOM 0 H ASN A 135 5.680 -13.055 8.680 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.187 -12.067 6.318 1.00 0.36 H new ATOM 0 HB2 ASN A 135 5.693 -14.663 6.755 1.00 0.06 H new ATOM 0 HB3 ASN A 135 6.127 -14.049 5.173 1.00 0.06 H new ATOM 0 HD21 ASN A 135 8.721 -16.533 6.086 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 6.985 -16.521 5.759 1.00 -0.80 H new ATOM 2059 N ALA A 136 4.645 -10.896 7.143 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.472 -10.093 6.843 1.00 0.36 C ATOM 2061 C ALA A 136 3.715 -9.228 5.603 1.00 0.57 C ATOM 2062 O ALA A 136 4.787 -8.640 5.453 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.158 -9.199 8.048 1.00 0.00 C ATOM 0 H ALA A 136 5.129 -10.617 7.997 1.00 -0.73 H new ATOM 0 HA ALA A 136 2.628 -10.753 6.640 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.279 -8.592 7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.964 -9.821 8.922 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.008 -8.547 8.249 1.00 0.00 H new ATOM 2069 N VAL A 137 2.695 -9.047 4.755 1.00 -0.73 N ATOM 2070 CA VAL A 137 2.769 -8.043 3.690 1.00 0.36 C ATOM 2071 C VAL A 137 2.826 -6.621 4.295 1.00 0.57 C ATOM 2072 O VAL A 137 3.418 -5.717 3.702 1.00 -0.57 O ATOM 2073 CB VAL A 137 1.671 -8.296 2.631 1.00 0.00 C ATOM 2074 CG1 VAL A 137 0.258 -7.888 3.046 1.00 0.00 C ATOM 2075 CG2 VAL A 137 1.999 -7.626 1.294 1.00 0.00 C ATOM 0 H VAL A 137 1.822 -9.574 4.785 1.00 -0.73 H new ATOM 0 HA VAL A 137 3.701 -8.134 3.132 1.00 0.36 H new ATOM 0 HB VAL A 137 1.671 -9.381 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.437 -8.106 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -0.035 -8.446 3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.237 -6.820 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.201 -7.830 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.090 -6.550 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.939 -8.021 0.910 1.00 0.00 H new ATOM 2085 N MET A 138 2.308 -6.447 5.523 1.00 -0.73 N ATOM 2086 CA MET A 138 2.322 -5.197 6.282 1.00 0.36 C ATOM 2087 C MET A 138 3.491 -5.138 7.282 1.00 0.57 C ATOM 2088 O MET A 138 3.513 -4.248 8.125 1.00 -0.57 O ATOM 2089 CB MET A 138 0.963 -4.996 6.986 1.00 0.00 C ATOM 2090 CG MET A 138 0.166 -3.766 6.550 1.00 0.23 C ATOM 2091 SD MET A 138 -1.056 -4.028 5.240 1.00 -0.46 S ATOM 2092 CE MET A 138 0.085 -4.154 3.873 1.00 0.23 C ATOM 0 H MET A 138 1.852 -7.206 6.029 1.00 -0.73 H new ATOM 0 HA MET A 138 2.478 -4.377 5.581 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.351 -5.882 6.815 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.137 -4.931 8.060 1.00 0.00 H new ATOM 0 HG2 MET A 138 -0.348 -3.364 7.423 1.00 0.23 H new ATOM 0 HG3 MET A 138 0.869 -3.003 6.215 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.462 -4.070 2.934 1.00 0.23 H new ATOM 0 HE2 MET A 138 0.820 -3.352 3.938 1.00 0.23 H new ATOM 0 HE3 MET A 138 0.594 -5.117 3.912 1.00 0.23 H new ATOM 2102 N TYR A 139 4.476 -6.047 7.210 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.679 -6.003 8.048 1.00 0.36 C ATOM 2104 C TYR A 139 6.326 -4.596 8.082 1.00 0.57 C ATOM 2105 O TYR A 139 6.405 -3.947 7.034 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.687 -7.065 7.576 1.00 0.14 C ATOM 2107 CG TYR A 139 7.483 -6.741 6.312 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 6.882 -6.160 5.171 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 8.871 -6.968 6.309 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 7.666 -5.731 4.090 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 9.655 -6.598 5.202 1.00 -0.15 C ATOM 2112 CZ TYR A 139 9.055 -5.970 4.092 1.00 0.08 C ATOM 2113 OH TYR A 139 9.807 -5.602 3.020 1.00 -0.53 O ATOM 0 H TYR A 139 4.458 -6.836 6.564 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.377 -6.228 9.071 1.00 0.36 H new ATOM 0 HB2 TYR A 139 7.393 -7.247 8.386 1.00 0.14 H new ATOM 0 HB3 TYR A 139 6.147 -7.997 7.409 1.00 0.14 H new ATOM 0 HD1 TYR A 139 5.809 -6.046 5.132 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.339 -7.431 7.165 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 7.206 -5.219 3.258 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 10.717 -6.795 5.202 1.00 -0.15 H new ATOM 0 HH TYR A 139 10.374 -4.841 3.264 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.773 -4.089 9.250 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.392 -2.772 9.333 1.00 0.36 C ATOM 2125 C PRO A 140 8.873 -2.807 8.914 1.00 0.57 C ATOM 2126 O PRO A 140 9.244 -2.209 7.907 1.00 -0.57 O ATOM 2127 CB PRO A 140 7.192 -2.315 10.785 1.00 0.00 C ATOM 2128 CG PRO A 140 6.996 -3.604 11.588 1.00 0.00 C ATOM 2129 CD PRO A 140 6.532 -4.647 10.572 1.00 0.30 C ATOM 0 HA PRO A 140 6.935 -2.066 8.640 1.00 0.36 H new ATOM 0 HB2 PRO A 140 8.055 -1.755 11.144 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.326 -1.659 10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 140 7.924 -3.911 12.071 1.00 0.00 H new ATOM 0 HG3 PRO A 140 6.256 -3.467 12.377 1.00 0.00 H new ATOM 0 HD2 PRO A 140 7.078 -5.581 10.702 1.00 0.30 H new ATOM 0 HD3 PRO A 140 5.475 -4.874 10.708 1.00 0.30 H new ATOM 2137 N THR A 141 9.723 -3.489 9.693 1.00 -0.73 N ATOM 2138 CA THR A 141 11.164 -3.603 9.449 1.00 0.36 C ATOM 2139 C THR A 141 11.429 -4.165 8.047 1.00 0.57 C ATOM 2140 O THR A 141 10.753 -5.097 7.617 1.00 -0.57 O ATOM 2141 CB THR A 141 11.818 -4.463 10.555 1.00 0.28 C ATOM 2142 OG1 THR A 141 13.219 -4.520 10.370 1.00 -0.68 O ATOM 2143 CG2 THR A 141 11.255 -5.888 10.633 1.00 0.00 C ATOM 0 H THR A 141 9.419 -3.988 10.529 1.00 -0.73 H new ATOM 0 HA THR A 141 11.618 -2.613 9.487 1.00 0.36 H new ATOM 0 HB THR A 141 11.580 -3.973 11.499 1.00 0.28 H new ATOM 0 HG1 THR A 141 13.620 -5.066 11.078 1.00 -0.68 H new ATOM 0 HG21 THR A 141 11.759 -6.435 11.430 1.00 0.00 H new ATOM 0 HG22 THR A 141 10.186 -5.846 10.841 1.00 0.00 H new ATOM 0 HG23 THR A 141 11.420 -6.397 9.683 1.00 0.00 H new ATOM 2151 N TYR A 142 12.435 -3.640 7.342 1.00 -0.73 N ATOM 2152 CA TYR A 142 12.751 -4.053 5.981 1.00 0.36 C ATOM 2153 C TYR A 142 13.859 -5.122 6.018 1.00 0.57 C ATOM 2154 O TYR A 142 15.039 -4.824 5.790 1.00 -0.57 O ATOM 2155 CB TYR A 142 13.063 -2.814 5.124 1.00 0.14 C ATOM 2156 CG TYR A 142 13.075 -3.095 3.634 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 11.862 -3.289 2.945 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 14.292 -3.199 2.937 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 11.867 -3.609 1.575 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 14.303 -3.493 1.562 1.00 -0.15 C ATOM 2161 CZ TYR A 142 13.087 -3.698 0.870 1.00 0.08 C ATOM 2162 OH TYR A 142 13.070 -3.970 -0.468 1.00 -0.53 O ATOM 0 H TYR A 142 13.053 -2.914 7.705 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.899 -4.530 5.496 1.00 0.36 H new ATOM 0 HB2 TYR A 142 12.323 -2.042 5.334 1.00 0.14 H new ATOM 0 HB3 TYR A 142 14.033 -2.414 5.418 1.00 0.14 H new ATOM 0 HD1 TYR A 142 10.924 -3.192 3.471 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 15.225 -3.052 3.461 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 10.934 -3.787 1.061 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 15.242 -3.562 1.033 1.00 -0.15 H new ATOM 0 HH TYR A 142 13.989 -3.997 -0.808 1.00 -0.53 H new ATOM 2172 N GLY A 143 13.485 -6.367 6.367 1.00 -0.73 N ATOM 2173 CA GLY A 143 14.396 -7.514 6.293 1.00 0.36 C ATOM 2174 C GLY A 143 14.036 -8.707 7.191 1.00 0.57 C ATOM 2175 O GLY A 143 14.438 -8.739 8.357 1.00 -0.57 O ATOM 0 H GLY A 143 12.551 -6.600 6.705 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.434 -7.859 5.260 1.00 0.36 H new ATOM 0 HA3 GLY A 143 15.399 -7.176 6.553 1.00 0.36 H new ATOM 2179 N ASN A 144 13.351 -9.730 6.651 1.00 -0.73 N ATOM 2180 CA ASN A 144 12.952 -10.939 7.402 1.00 0.36 C ATOM 2181 C ASN A 144 12.644 -12.135 6.496 1.00 0.57 C ATOM 2182 O ASN A 144 13.061 -13.263 6.781 1.00 -0.57 O ATOM 2183 CB ASN A 144 11.666 -10.667 8.207 1.00 0.06 C ATOM 2184 CG ASN A 144 11.921 -10.189 9.631 1.00 0.57 C ATOM 2185 OD1 ASN A 144 11.581 -9.066 9.978 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 12.492 -11.021 10.498 1.00 -0.80 N ATOM 0 H ASN A 144 13.055 -9.744 5.675 1.00 -0.73 H new ATOM 0 HA ASN A 144 13.801 -11.176 8.043 1.00 0.36 H new ATOM 0 HB2 ASN A 144 11.072 -9.918 7.683 1.00 0.06 H new ATOM 0 HB3 ASN A 144 11.070 -11.579 8.241 1.00 0.06 H new ATOM 0 HD21 ASN A 144 12.650 -10.725 11.461 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 12.772 -11.955 10.200 1.00 -0.80 H new ATOM 2193 N GLY A 145 11.861 -11.882 5.444 1.00 -0.73 N ATOM 2194 CA GLY A 145 11.445 -12.853 4.442 1.00 0.36 C ATOM 2195 C GLY A 145 12.039 -12.431 3.104 1.00 0.57 C ATOM 2196 O GLY A 145 13.236 -12.142 3.036 1.00 -0.57 O ATOM 0 H GLY A 145 11.485 -10.951 5.264 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 11.788 -13.852 4.713 1.00 0.36 H new ATOM 0 HA3 GLY A 145 10.358 -12.895 4.380 1.00 0.36 H new ATOM 2200 N ASP A 146 11.221 -12.360 2.049 1.00 -0.73 N ATOM 2201 CA ASP A 146 11.683 -11.997 0.713 1.00 0.36 C ATOM 2202 C ASP A 146 10.554 -11.242 -0.006 1.00 0.57 C ATOM 2203 O ASP A 146 9.505 -11.834 -0.254 1.00 -0.57 O ATOM 2204 CB ASP A 146 12.094 -13.282 -0.030 1.00 0.06 C ATOM 2205 CG ASP A 146 12.702 -13.051 -1.417 1.00 0.66 C ATOM 2206 OD1 ASP A 146 12.566 -11.952 -1.929 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 13.298 -14.091 -1.994 1.00 -0.65 O ATOM 0 H ASP A 146 10.221 -12.553 2.101 1.00 -0.73 H new ATOM 0 HA ASP A 146 12.553 -11.341 0.752 1.00 0.36 H new ATOM 0 HB2 ASP A 146 12.814 -13.825 0.582 1.00 0.06 H new ATOM 0 HB3 ASP A 146 11.218 -13.922 -0.134 1.00 0.06 H new ATOM 2213 N PRO A 147 10.710 -9.942 -0.329 1.00 -0.66 N ATOM 2214 CA PRO A 147 9.687 -9.192 -1.045 1.00 0.36 C ATOM 2215 C PRO A 147 9.614 -9.562 -2.536 1.00 0.57 C ATOM 2216 O PRO A 147 8.667 -9.162 -3.216 1.00 -0.57 O ATOM 2217 CB PRO A 147 10.037 -7.714 -0.841 1.00 0.00 C ATOM 2218 CG PRO A 147 11.541 -7.702 -0.561 1.00 0.00 C ATOM 2219 CD PRO A 147 11.873 -9.110 -0.063 1.00 0.30 C ATOM 0 HA PRO A 147 8.695 -9.427 -0.658 1.00 0.36 H new ATOM 0 HB2 PRO A 147 9.795 -7.125 -1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 147 9.477 -7.286 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.106 -7.460 -1.461 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.795 -6.951 0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.752 -9.502 -0.574 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.103 -9.098 1.002 1.00 0.30 H new ATOM 2227 N GLN A 148 10.598 -10.289 -3.081 1.00 -0.73 N ATOM 2228 CA GLN A 148 10.613 -10.663 -4.491 1.00 0.36 C ATOM 2229 C GLN A 148 9.554 -11.737 -4.792 1.00 0.57 C ATOM 2230 O GLN A 148 9.065 -11.820 -5.922 1.00 -0.57 O ATOM 2231 CB GLN A 148 12.022 -11.157 -4.853 1.00 0.00 C ATOM 2232 CG GLN A 148 12.360 -11.011 -6.346 1.00 0.06 C ATOM 2233 CD GLN A 148 12.552 -12.365 -7.018 1.00 0.57 C ATOM 2234 OE1 GLN A 148 13.667 -12.875 -7.098 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 11.468 -12.975 -7.479 1.00 -0.80 N ATOM 0 H GLN A 148 11.402 -10.631 -2.554 1.00 -0.73 H new ATOM 0 HA GLN A 148 10.365 -9.794 -5.100 1.00 0.36 H new ATOM 0 HB2 GLN A 148 12.754 -10.602 -4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 148 12.115 -12.205 -4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.560 -10.466 -6.848 1.00 0.06 H new ATOM 0 HG3 GLN A 148 13.268 -10.418 -6.457 1.00 0.06 H new ATOM 0 HE21 GLN A 148 10.556 -12.525 -7.398 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 11.546 -13.894 -7.915 1.00 -0.80 H new ATOM 2244 N ASN A 149 9.177 -12.532 -3.780 1.00 -0.73 N ATOM 2245 CA ASN A 149 8.109 -13.526 -3.840 1.00 0.36 C ATOM 2246 C ASN A 149 6.981 -13.090 -2.910 1.00 0.57 C ATOM 2247 O ASN A 149 6.976 -13.363 -1.720 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.594 -14.961 -3.560 1.00 0.06 C ATOM 2249 CG ASN A 149 9.507 -15.096 -2.350 1.00 0.57 C ATOM 2250 OD1 ASN A 149 9.090 -15.167 -1.207 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 10.800 -15.168 -2.601 1.00 -0.80 N ATOM 0 H ASN A 149 9.628 -12.495 -2.866 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.732 -13.569 -4.862 1.00 0.36 H new ATOM 0 HB2 ASN A 149 7.725 -15.603 -3.416 1.00 0.06 H new ATOM 0 HB3 ASN A 149 9.121 -15.331 -4.440 1.00 0.06 H new ATOM 0 HD21 ASN A 149 11.463 -15.284 -1.834 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 11.137 -15.107 -3.562 1.00 -0.80 H new ATOM 2258 N PHE A 150 6.013 -12.379 -3.486 1.00 -0.73 N ATOM 2259 CA PHE A 150 4.871 -11.814 -2.782 1.00 0.36 C ATOM 2260 C PHE A 150 4.102 -12.823 -1.935 1.00 0.57 C ATOM 2261 O PHE A 150 4.178 -12.768 -0.714 1.00 -0.57 O ATOM 2262 CB PHE A 150 3.943 -11.205 -3.828 1.00 0.14 C ATOM 2263 CG PHE A 150 4.236 -9.762 -4.060 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.467 -9.333 -4.592 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 3.227 -8.849 -3.740 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.668 -7.972 -4.845 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.419 -7.511 -4.046 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.623 -7.075 -4.600 1.00 -0.15 C ATOM 0 H PHE A 150 6.005 -12.176 -4.486 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.246 -11.070 -2.079 1.00 0.36 H new ATOM 0 HB2 PHE A 150 4.045 -11.751 -4.766 1.00 0.14 H new ATOM 0 HB3 PHE A 150 2.908 -11.318 -3.505 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.249 -10.048 -4.803 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 2.316 -9.180 -3.264 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.616 -7.619 -5.224 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 2.630 -6.799 -3.854 1.00 -0.15 H new ATOM 0 HZ PHE A 150 4.750 -6.030 -4.843 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.342 -13.691 -2.622 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.559 -14.803 -2.089 1.00 0.36 C ATOM 2280 C LYS A 151 2.007 -14.469 -0.703 1.00 0.57 C ATOM 2281 O LYS A 151 2.449 -15.030 0.299 1.00 -0.57 O ATOM 2282 CB LYS A 151 3.402 -16.090 -2.139 1.00 0.00 C ATOM 2283 CG LYS A 151 3.392 -16.758 -3.525 1.00 0.00 C ATOM 2284 CD LYS A 151 4.059 -15.957 -4.656 1.00 0.00 C ATOM 2285 CE LYS A 151 3.926 -16.728 -5.974 1.00 0.50 C ATOM 2286 NZ LYS A 151 5.221 -16.984 -6.627 1.00 -0.85 N ATOM 0 H LYS A 151 3.257 -13.624 -3.636 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.680 -14.978 -2.709 1.00 0.36 H new ATOM 0 HB2 LYS A 151 4.430 -15.856 -1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 151 3.024 -16.795 -1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 151 3.891 -17.724 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 151 2.357 -16.955 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 151 3.591 -14.977 -4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 151 5.111 -15.788 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 151 3.428 -17.679 -5.783 1.00 0.50 H new ATOM 0 HE3 LYS A 151 3.288 -16.165 -6.655 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 5.066 -17.508 -7.512 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 5.689 -16.079 -6.838 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 5.824 -17.546 -5.993 1.00 -0.85 H new ATOM 2300 N LEU A 152 1.087 -13.493 -0.691 1.00 -0.73 N ATOM 2301 CA LEU A 152 0.477 -12.909 0.497 1.00 0.36 C ATOM 2302 C LEU A 152 0.189 -14.025 1.516 1.00 0.57 C ATOM 2303 O LEU A 152 -0.460 -15.018 1.185 1.00 -0.57 O ATOM 2304 CB LEU A 152 -0.785 -12.100 0.124 1.00 0.00 C ATOM 2305 CG LEU A 152 -0.554 -10.890 -0.821 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -0.716 -11.251 -2.302 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -1.535 -9.746 -0.547 1.00 0.00 C ATOM 0 H LEU A 152 0.737 -13.075 -1.553 1.00 -0.73 H new ATOM 0 HA LEU A 152 1.165 -12.201 0.960 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.500 -12.774 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.246 -11.737 1.043 1.00 0.00 H new ATOM 0 HG LEU A 152 0.472 -10.583 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -0.543 -10.365 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.005 -12.023 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -1.726 -11.621 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -1.334 -8.923 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -2.556 -10.099 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -1.414 -9.401 0.480 1.00 0.00 H new ATOM 2319 N SER A 153 0.761 -13.892 2.720 1.00 -0.73 N ATOM 2320 CA SER A 153 0.804 -14.959 3.718 1.00 0.36 C ATOM 2321 C SER A 153 -0.569 -15.076 4.394 1.00 0.57 C ATOM 2322 O SER A 153 -1.518 -15.608 3.819 1.00 -0.57 O ATOM 2323 CB SER A 153 1.976 -14.676 4.684 1.00 0.28 C ATOM 2324 OG SER A 153 1.974 -15.548 5.802 1.00 -0.68 O ATOM 0 H SER A 153 1.211 -13.030 3.028 1.00 -0.73 H new ATOM 0 HA SER A 153 0.997 -15.935 3.272 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.919 -14.779 4.147 1.00 0.28 H new ATOM 0 HB3 SER A 153 1.917 -13.644 5.031 1.00 0.28 H new ATOM 0 HG SER A 153 2.732 -15.335 6.385 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.681 -14.528 5.603 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.918 -14.384 6.340 1.00 0.36 C ATOM 2332 C GLN A 154 -2.169 -12.931 6.694 1.00 0.57 C ATOM 2333 O GLN A 154 -3.241 -12.649 7.187 1.00 -0.57 O ATOM 2334 CB GLN A 154 -1.901 -15.257 7.601 1.00 0.00 C ATOM 2335 CG GLN A 154 -2.166 -16.737 7.285 1.00 0.06 C ATOM 2336 CD GLN A 154 -3.287 -17.290 8.165 1.00 0.57 C ATOM 2337 OE1 GLN A 154 -3.051 -17.885 9.210 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -4.542 -17.055 7.796 1.00 -0.80 N ATOM 0 H GLN A 154 0.125 -14.160 6.109 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.735 -14.722 5.703 1.00 0.36 H new ATOM 0 HB2 GLN A 154 -0.934 -15.160 8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -2.654 -14.896 8.301 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -2.435 -16.846 6.234 1.00 0.06 H new ATOM 0 HG3 GLN A 154 -1.256 -17.315 7.442 1.00 0.06 H new ATOM 0 HE21 GLN A 154 -4.733 -16.559 6.925 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -5.314 -17.370 8.384 1.00 -0.80 H new ATOM 2347 N ASP A 155 -1.240 -11.997 6.481 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.478 -10.593 6.803 1.00 0.36 C ATOM 2349 C ASP A 155 -2.680 -10.054 6.031 1.00 0.57 C ATOM 2350 O ASP A 155 -3.722 -9.754 6.623 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.209 -9.820 6.495 1.00 0.06 C ATOM 2352 CG ASP A 155 -0.407 -8.351 6.829 1.00 0.66 C ATOM 2353 OD1 ASP A 155 0.138 -7.963 7.849 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 -1.094 -7.595 5.977 1.00 -0.65 O ATOM 0 H ASP A 155 -0.319 -12.189 6.088 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.719 -10.480 7.860 1.00 0.36 H new ATOM 0 HB2 ASP A 155 0.623 -10.224 7.071 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.049 -9.931 5.442 1.00 0.06 H new ATOM 2360 N ASP A 156 -2.552 -10.040 4.702 1.00 -0.73 N ATOM 2361 CA ASP A 156 -3.630 -9.652 3.820 1.00 0.36 C ATOM 2362 C ASP A 156 -4.738 -10.682 3.919 1.00 0.57 C ATOM 2363 O ASP A 156 -5.855 -10.284 4.185 1.00 -0.57 O ATOM 2364 CB ASP A 156 -3.129 -9.560 2.389 1.00 0.06 C ATOM 2365 CG ASP A 156 -4.285 -9.493 1.399 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -4.676 -8.380 1.087 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -4.782 -10.648 0.966 1.00 -0.65 O ATOM 0 H ASP A 156 -1.693 -10.299 4.217 1.00 -0.73 H new ATOM 0 HA ASP A 156 -4.010 -8.674 4.114 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -2.501 -8.676 2.278 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.505 -10.425 2.164 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.438 -11.979 3.781 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.453 -13.031 3.751 1.00 0.36 C ATOM 2375 C ILE A 157 -6.387 -12.906 4.965 1.00 0.57 C ATOM 2376 O ILE A 157 -7.607 -12.905 4.798 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.763 -14.416 3.616 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.706 -14.915 2.157 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.388 -15.527 4.482 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.818 -14.050 1.257 1.00 0.00 C ATOM 0 H ILE A 157 -3.483 -12.326 3.687 1.00 -0.73 H new ATOM 0 HA ILE A 157 -6.094 -12.921 2.877 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.755 -14.227 3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.335 -15.940 2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.716 -14.936 1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -4.845 -16.459 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.330 -15.245 5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.432 -15.664 4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.821 -14.455 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -4.201 -13.030 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.799 -14.049 1.644 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.833 -12.766 6.181 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.615 -12.636 7.410 1.00 0.36 C ATOM 2394 C LYS A 158 -7.366 -11.319 7.382 1.00 0.57 C ATOM 2395 O LYS A 158 -8.571 -11.312 7.631 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.690 -12.667 8.639 1.00 0.00 C ATOM 2397 CG LYS A 158 -6.416 -12.612 9.997 1.00 0.00 C ATOM 2398 CD LYS A 158 -5.885 -11.512 10.944 1.00 0.00 C ATOM 2399 CE LYS A 158 -5.319 -12.132 12.226 1.00 0.50 C ATOM 2400 NZ LYS A 158 -4.992 -11.118 13.251 1.00 -0.85 N ATOM 0 H LYS A 158 -4.825 -12.740 6.334 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.317 -13.468 7.476 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -5.089 -13.576 8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -5.000 -11.826 8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -7.479 -12.447 9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.320 -13.580 10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -5.110 -10.934 10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -6.689 -10.819 11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -6.043 -12.836 12.635 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -4.422 -12.702 11.984 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -4.613 -11.589 14.097 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -4.281 -10.460 12.874 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -5.852 -10.591 13.504 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.665 -10.219 7.088 1.00 -0.73 N ATOM 2415 CA GLY A 159 -7.259 -8.905 7.026 1.00 0.36 C ATOM 2416 C GLY A 159 -8.434 -8.891 6.057 1.00 0.57 C ATOM 2417 O GLY A 159 -9.559 -8.652 6.470 1.00 -0.57 O ATOM 0 H GLY A 159 -5.665 -10.229 6.887 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -7.596 -8.606 8.018 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -6.512 -8.177 6.710 1.00 0.36 H new ATOM 2421 N ILE A 160 -8.212 -9.227 4.792 1.00 -0.73 N ATOM 2422 CA ILE A 160 -9.215 -9.375 3.752 1.00 0.36 C ATOM 2423 C ILE A 160 -10.374 -10.272 4.192 1.00 0.57 C ATOM 2424 O ILE A 160 -11.537 -9.895 4.004 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.524 -9.914 2.482 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.695 -8.818 1.783 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.541 -10.561 1.536 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.511 -7.710 1.121 1.00 0.00 C ATOM 0 H ILE A 160 -7.270 -9.414 4.448 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.660 -8.402 3.541 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.824 -10.693 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -7.027 -8.367 2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -7.067 -9.287 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -9.028 -10.932 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -10.034 -11.390 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -10.286 -9.821 1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.837 -6.989 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.160 -8.142 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -9.119 -7.207 1.873 1.00 0.00 H new ATOM 2440 N GLN A 161 -10.088 -11.449 4.765 1.00 -0.73 N ATOM 2441 CA GLN A 161 -11.148 -12.321 5.245 1.00 0.36 C ATOM 2442 C GLN A 161 -11.960 -11.663 6.360 1.00 0.57 C ATOM 2443 O GLN A 161 -13.162 -11.895 6.456 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.596 -13.666 5.735 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.523 -14.728 4.627 1.00 0.06 C ATOM 2446 CD GLN A 161 -11.174 -16.030 5.095 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -10.541 -16.885 5.696 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -12.469 -16.213 4.874 1.00 -0.80 N ATOM 0 H GLN A 161 -9.143 -11.808 4.902 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.807 -12.502 4.396 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.600 -13.513 6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.225 -14.037 6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -11.026 -14.364 3.731 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.483 -14.910 4.357 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -13.006 -15.505 4.373 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -12.928 -17.062 5.205 1.00 -0.80 H new ATOM 2457 N LYS A 162 -11.318 -10.843 7.194 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.974 -10.085 8.249 1.00 0.36 C ATOM 2459 C LYS A 162 -12.735 -8.870 7.691 1.00 0.57 C ATOM 2460 O LYS A 162 -13.779 -8.494 8.232 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.896 -9.734 9.288 1.00 0.00 C ATOM 2462 CG LYS A 162 -11.494 -9.113 10.556 1.00 0.00 C ATOM 2463 CD LYS A 162 -10.672 -9.442 11.817 1.00 0.00 C ATOM 2464 CE LYS A 162 -11.631 -9.851 12.941 1.00 0.50 C ATOM 2465 NZ LYS A 162 -10.930 -10.451 14.097 1.00 -0.85 N ATOM 0 H LYS A 162 -10.311 -10.688 7.151 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.751 -10.673 8.736 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -10.342 -10.635 9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -10.182 -9.039 8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -11.551 -8.031 10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -12.514 -9.473 10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -9.969 -10.249 11.609 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -10.083 -8.576 12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -12.189 -8.976 13.274 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -12.358 -10.564 12.552 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -11.624 -10.709 14.828 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -10.418 -11.302 13.789 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -10.255 -9.764 14.488 1.00 -0.85 H new ATOM 2479 N LEU A 163 -12.249 -8.291 6.588 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.851 -7.151 5.911 1.00 0.36 C ATOM 2481 C LEU A 163 -14.124 -7.586 5.181 1.00 0.57 C ATOM 2482 O LEU A 163 -15.174 -6.981 5.394 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.851 -6.532 4.910 1.00 0.00 C ATOM 2484 CG LEU A 163 -10.991 -5.345 5.375 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -11.870 -4.111 5.550 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -10.175 -5.585 6.646 1.00 0.00 C ATOM 0 H LEU A 163 -11.398 -8.618 6.132 1.00 -0.73 H new ATOM 0 HA LEU A 163 -13.110 -6.399 6.656 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -11.176 -7.323 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.414 -6.211 4.034 1.00 0.00 H new ATOM 0 HG LEU A 163 -10.253 -5.198 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -11.257 -3.272 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -12.343 -3.864 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -12.638 -4.314 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -9.605 -4.688 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -10.847 -5.820 7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -9.490 -6.418 6.487 1.00 0.00 H new ATOM 2498 N TYR A 164 -14.052 -8.619 4.331 1.00 -0.73 N ATOM 2499 CA TYR A 164 -15.172 -9.048 3.483 1.00 0.36 C ATOM 2500 C TYR A 164 -15.477 -10.519 3.737 1.00 0.57 C ATOM 2501 O TYR A 164 -16.620 -10.851 4.051 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.888 -8.823 1.980 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.395 -7.444 1.586 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -13.051 -7.110 1.819 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.240 -6.514 0.946 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.559 -5.842 1.480 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.743 -5.251 0.569 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.402 -4.904 0.858 1.00 0.08 C ATOM 2509 OH TYR A 164 -12.914 -3.663 0.589 1.00 -0.53 O ATOM 0 H TYR A 164 -13.211 -9.183 4.212 1.00 -0.73 H new ATOM 0 HA TYR A 164 -16.035 -8.437 3.747 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -14.147 -9.555 1.659 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -15.803 -9.030 1.425 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.389 -7.838 2.264 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.270 -6.770 0.745 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.533 -5.585 1.697 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.385 -4.548 0.060 1.00 -0.15 H new ATOM 0 HH TYR A 164 -12.236 -3.426 1.256 1.00 -0.53 H new