USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 829 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 92 GLN : amide:sc= 0.567 K(o=-0.022,f=-0.62) USER MOD Set 1.2: A 104 HIS : no HE2:sc= -0.589 K(o=-0.022,f=-4!) USER MOD Set 2.1: A 91 THR OG1 : rot -60:sc= 0.572 USER MOD Set 2.2: A 93 GLN : amide:sc= 0.738 X(o=1.3,f=0.87) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -0.508 K(o=-0.39,f=-1.7!) USER MOD Set 3.2: A 109 SER OG : rot 105:sc= 0.115 USER MOD Set 4.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc=-0.00277 X(o=-0.0028,f=-0.0028) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= 1.29 (180deg=1) USER MOD Single : A 14 HIS : no HE2:sc= -0.591 K(o=-0.59,f=-2) USER MOD Single : A 16 GLN : amide:sc= 0.568 K(o=0.57,f=-0.77) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -172:sc= 1.3 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 120:sc= -0.245 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 65 GLN : amide:sc= -0.383! C(o=-0.38!,f=-3.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.14) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0761 K(o=-0.076,f=-2.2) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0941 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 170:sc= -0.139 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -1.324 10.556 -8.235 1.00 0.00 N ATOM 67 CA GLU A 8 -1.536 11.478 -7.123 1.00 0.00 C ATOM 68 C GLU A 8 -0.368 11.357 -6.142 1.00 0.00 C ATOM 69 O GLU A 8 -0.518 11.641 -4.965 1.00 0.00 O ATOM 70 CB GLU A 8 -2.912 11.182 -6.474 1.00 0.00 C ATOM 71 CG GLU A 8 -4.023 11.216 -7.540 1.00 0.00 C ATOM 72 CD GLU A 8 -5.437 11.505 -7.035 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.684 12.682 -6.677 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.314 10.621 -7.192 1.00 0.00 O ATOM 0 HA GLU A 8 -1.560 12.513 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.892 10.205 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.121 11.917 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.763 11.972 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.033 10.255 -8.055 1.00 0.00 H new ATOM 81 N VAL A 9 0.807 10.917 -6.600 1.00 0.00 N ATOM 82 CA VAL A 9 1.956 10.545 -5.788 1.00 0.00 C ATOM 83 C VAL A 9 2.245 11.655 -4.787 1.00 0.00 C ATOM 84 O VAL A 9 2.334 11.408 -3.593 1.00 0.00 O ATOM 85 CB VAL A 9 3.181 10.287 -6.696 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.336 9.677 -5.902 1.00 0.00 C ATOM 87 CG2 VAL A 9 2.869 9.376 -7.897 1.00 0.00 C ATOM 0 H VAL A 9 0.986 10.807 -7.598 1.00 0.00 H new ATOM 0 HA VAL A 9 1.740 9.627 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 9 3.465 11.265 -7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.184 9.506 -6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.631 10.360 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.018 8.729 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.772 9.236 -8.492 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.518 8.409 -7.538 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.096 9.837 -8.512 1.00 0.00 H new ATOM 97 N GLN A 10 2.390 12.882 -5.287 1.00 0.00 N ATOM 98 CA GLN A 10 2.884 14.004 -4.510 1.00 0.00 C ATOM 99 C GLN A 10 1.800 14.612 -3.607 1.00 0.00 C ATOM 100 O GLN A 10 2.101 15.497 -2.797 1.00 0.00 O ATOM 101 CB GLN A 10 3.494 15.046 -5.457 1.00 0.00 C ATOM 102 CG GLN A 10 4.500 14.447 -6.455 1.00 0.00 C ATOM 103 CD GLN A 10 5.659 13.693 -5.789 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.273 14.154 -4.826 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.027 12.537 -6.322 1.00 0.00 N ATOM 0 H GLN A 10 2.164 13.121 -6.253 1.00 0.00 H new ATOM 0 HA GLN A 10 3.660 13.643 -3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.693 15.537 -6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.992 15.815 -4.867 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.973 13.767 -7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.907 15.248 -7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.517 12.158 -7.119 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.821 12.027 -5.935 1.00 0.00 H new ATOM 114 N LYS A 11 0.542 14.177 -3.742 1.00 0.00 N ATOM 115 CA LYS A 11 -0.536 14.549 -2.823 1.00 0.00 C ATOM 116 C LYS A 11 -0.194 14.095 -1.398 1.00 0.00 C ATOM 117 O LYS A 11 0.659 13.223 -1.213 1.00 0.00 O ATOM 118 CB LYS A 11 -1.875 13.935 -3.285 1.00 0.00 C ATOM 119 CG LYS A 11 -2.473 14.636 -4.516 1.00 0.00 C ATOM 120 CD LYS A 11 -4.005 14.725 -4.445 1.00 0.00 C ATOM 121 CE LYS A 11 -4.543 15.989 -5.122 1.00 0.00 C ATOM 122 NZ LYS A 11 -4.193 17.204 -4.351 1.00 0.00 N ATOM 0 H LYS A 11 0.244 13.556 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.641 15.634 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.723 12.880 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.591 13.983 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.056 15.640 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.183 14.095 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.441 13.846 -4.921 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.320 14.712 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.135 16.066 -6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.626 15.918 -5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.871 17.962 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.229 16.992 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.233 17.513 -4.607 1.00 0.00 H new ATOM 136 N PRO A 12 -0.883 14.627 -0.374 1.00 0.00 N ATOM 137 CA PRO A 12 -0.783 14.080 0.968 1.00 0.00 C ATOM 138 C PRO A 12 -1.254 12.630 0.957 1.00 0.00 C ATOM 139 O PRO A 12 -1.923 12.175 0.024 1.00 0.00 O ATOM 140 CB PRO A 12 -1.689 14.950 1.843 1.00 0.00 C ATOM 141 CG PRO A 12 -2.724 15.466 0.852 1.00 0.00 C ATOM 142 CD PRO A 12 -1.910 15.659 -0.422 1.00 0.00 C ATOM 0 HA PRO A 12 0.239 14.087 1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.150 14.374 2.646 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.137 15.765 2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.536 14.753 0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.175 16.400 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.535 15.553 -1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.468 16.654 -0.461 1.00 0.00 H new ATOM 150 N LEU A 13 -0.941 11.900 2.025 1.00 0.00 N ATOM 151 CA LEU A 13 -1.514 10.581 2.236 1.00 0.00 C ATOM 152 C LEU A 13 -3.034 10.691 2.356 1.00 0.00 C ATOM 153 O LEU A 13 -3.738 9.824 1.848 1.00 0.00 O ATOM 154 CB LEU A 13 -0.838 9.922 3.444 1.00 0.00 C ATOM 155 CG LEU A 13 -1.159 8.418 3.612 1.00 0.00 C ATOM 156 CD1 LEU A 13 -0.002 7.751 4.353 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.400 8.151 4.463 1.00 0.00 C ATOM 0 H LEU A 13 -0.295 12.202 2.754 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.326 9.930 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.241 10.043 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.142 10.449 4.348 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.324 8.030 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.214 6.689 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.916 7.872 3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.119 8.215 5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.565 7.076 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.254 8.567 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.268 8.620 3.998 1.00 0.00 H new ATOM 169 N HIS A 14 -3.546 11.775 2.954 1.00 0.00 N ATOM 170 CA HIS A 14 -4.970 11.896 3.248 1.00 0.00 C ATOM 171 C HIS A 14 -5.863 12.104 2.006 1.00 0.00 C ATOM 172 O HIS A 14 -7.080 12.196 2.161 1.00 0.00 O ATOM 173 CB HIS A 14 -5.219 12.982 4.317 1.00 0.00 C ATOM 174 CG HIS A 14 -5.355 14.401 3.805 1.00 0.00 C ATOM 175 ND1 HIS A 14 -6.411 14.868 3.060 1.00 0.00 N ATOM 176 CD2 HIS A 14 -4.523 15.462 4.047 1.00 0.00 C ATOM 177 CE1 HIS A 14 -6.212 16.173 2.829 1.00 0.00 C ATOM 178 NE2 HIS A 14 -5.075 16.593 3.420 1.00 0.00 N ATOM 0 H HIS A 14 -2.989 12.580 3.242 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.273 10.929 3.650 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.127 12.725 4.862 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.398 12.953 5.034 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -7.207 14.317 2.739 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.606 15.435 4.618 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.872 16.802 2.249 1.00 0.00 H new ATOM 186 N GLU A 15 -5.288 12.245 0.807 1.00 0.00 N ATOM 187 CA GLU A 15 -6.037 12.359 -0.450 1.00 0.00 C ATOM 188 C GLU A 15 -5.786 11.138 -1.353 1.00 0.00 C ATOM 189 O GLU A 15 -6.217 11.136 -2.505 1.00 0.00 O ATOM 190 CB GLU A 15 -5.671 13.666 -1.187 1.00 0.00 C ATOM 191 CG GLU A 15 -6.172 14.957 -0.523 1.00 0.00 C ATOM 192 CD GLU A 15 -6.000 16.179 -1.436 1.00 0.00 C ATOM 193 OE1 GLU A 15 -4.860 16.572 -1.769 1.00 0.00 O ATOM 194 OE2 GLU A 15 -7.027 16.759 -1.864 1.00 0.00 O ATOM 0 H GLU A 15 -4.277 12.284 0.680 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.099 12.388 -0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.586 13.721 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.073 13.618 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.224 14.845 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.628 15.120 0.407 1.00 0.00 H new ATOM 201 N GLN A 16 -5.034 10.133 -0.885 1.00 0.00 N ATOM 202 CA GLN A 16 -4.757 8.947 -1.688 1.00 0.00 C ATOM 203 C GLN A 16 -6.009 8.080 -1.809 1.00 0.00 C ATOM 204 O GLN A 16 -6.953 8.188 -1.030 1.00 0.00 O ATOM 205 CB GLN A 16 -3.597 8.135 -1.099 1.00 0.00 C ATOM 206 CG GLN A 16 -2.290 8.925 -1.022 1.00 0.00 C ATOM 207 CD GLN A 16 -1.705 9.334 -2.371 1.00 0.00 C ATOM 208 OE1 GLN A 16 -1.726 8.582 -3.342 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.142 10.526 -2.436 1.00 0.00 N ATOM 0 H GLN A 16 -4.610 10.122 0.043 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.462 9.278 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.869 7.796 -0.099 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.440 7.243 -1.706 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.460 9.824 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.552 8.326 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.137 11.133 -1.616 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.712 10.840 -3.306 1.00 0.00 H new ATOM 218 N LEU A 17 -5.981 7.196 -2.802 1.00 0.00 N ATOM 219 CA LEU A 17 -7.134 6.461 -3.298 1.00 0.00 C ATOM 220 C LEU A 17 -7.163 5.082 -2.670 1.00 0.00 C ATOM 221 O LEU A 17 -8.164 4.688 -2.082 1.00 0.00 O ATOM 222 CB LEU A 17 -7.136 6.392 -4.840 1.00 0.00 C ATOM 223 CG LEU A 17 -5.795 6.186 -5.586 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.036 5.467 -6.920 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.056 7.501 -5.871 1.00 0.00 C ATOM 0 H LEU A 17 -5.121 6.965 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.043 6.990 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.802 5.580 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.579 7.317 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.170 5.585 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.086 5.328 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.493 4.495 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.701 6.066 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.124 7.289 -6.395 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.682 8.144 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.836 8.006 -4.930 1.00 0.00 H new ATOM 237 N TRP A 18 -6.038 4.375 -2.753 1.00 0.00 N ATOM 238 CA TRP A 18 -5.784 3.119 -2.064 1.00 0.00 C ATOM 239 C TRP A 18 -5.737 3.285 -0.547 1.00 0.00 C ATOM 240 O TRP A 18 -5.631 2.291 0.173 1.00 0.00 O ATOM 241 CB TRP A 18 -4.474 2.549 -2.615 1.00 0.00 C ATOM 242 CG TRP A 18 -3.344 3.527 -2.764 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.869 4.000 -3.941 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.544 4.176 -1.724 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.824 4.864 -3.699 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.578 5.008 -2.355 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.529 4.157 -0.313 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.647 5.763 -1.636 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.637 4.956 0.430 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.677 5.746 -0.230 1.00 0.00 C ATOM 0 H TRP A 18 -5.249 4.676 -3.326 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.605 2.427 -2.249 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.147 1.743 -1.959 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.675 2.105 -3.590 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.250 3.740 -4.917 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.296 5.340 -4.430 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.219 3.513 0.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.091 6.356 -2.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.690 4.962 1.509 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.030 6.333 0.338 1.00 0.00 H new ATOM 261 N TYR A 19 -5.744 4.517 -0.039 1.00 0.00 N ATOM 262 CA TYR A 19 -5.803 4.766 1.387 1.00 0.00 C ATOM 263 C TYR A 19 -7.261 4.643 1.852 1.00 0.00 C ATOM 264 O TYR A 19 -8.013 5.612 1.768 1.00 0.00 O ATOM 265 CB TYR A 19 -5.187 6.132 1.688 1.00 0.00 C ATOM 266 CG TYR A 19 -5.295 6.529 3.142 1.00 0.00 C ATOM 267 CD1 TYR A 19 -5.026 5.599 4.165 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.741 7.820 3.465 1.00 0.00 C ATOM 269 CE1 TYR A 19 -5.264 5.937 5.503 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.971 8.174 4.802 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.765 7.224 5.822 1.00 0.00 C ATOM 272 OH TYR A 19 -6.082 7.555 7.100 1.00 0.00 O ATOM 0 H TYR A 19 -5.709 5.363 -0.608 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.223 4.030 1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.136 6.121 1.399 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.678 6.887 1.075 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.635 4.623 3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.908 8.543 2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.067 5.221 6.287 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.305 9.171 5.049 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.409 8.479 7.127 1.00 0.00 H new ATOM 282 N HIS A 20 -7.687 3.461 2.313 1.00 0.00 N ATOM 283 CA HIS A 20 -9.073 3.276 2.760 1.00 0.00 C ATOM 284 C HIS A 20 -9.285 3.863 4.169 1.00 0.00 C ATOM 285 O HIS A 20 -10.279 4.560 4.387 1.00 0.00 O ATOM 286 CB HIS A 20 -9.507 1.800 2.651 1.00 0.00 C ATOM 287 CG HIS A 20 -9.880 1.358 1.256 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.117 0.911 0.831 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.040 1.311 0.179 1.00 0.00 C ATOM 290 CE1 HIS A 20 -11.011 0.612 -0.475 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.756 0.814 -0.907 1.00 0.00 N ATOM 0 H HIS A 20 -7.102 2.629 2.386 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.726 3.835 2.090 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.696 1.168 3.014 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.359 1.635 3.311 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.957 0.824 1.404 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.002 1.608 0.171 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.824 0.258 -1.092 1.00 0.00 H new ATOM 299 N GLY A 21 -8.367 3.650 5.123 1.00 0.00 N ATOM 300 CA GLY A 21 -8.485 4.073 6.507 1.00 0.00 C ATOM 301 C GLY A 21 -8.309 2.854 7.399 1.00 0.00 C ATOM 302 O GLY A 21 -7.601 1.909 7.057 1.00 0.00 O ATOM 0 H GLY A 21 -7.493 3.159 4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.731 4.825 6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.458 4.533 6.681 1.00 0.00 H new ATOM 306 N ALA A 22 -8.889 2.889 8.581 1.00 0.00 N ATOM 307 CA ALA A 22 -8.793 1.838 9.585 1.00 0.00 C ATOM 308 C ALA A 22 -9.797 0.721 9.307 1.00 0.00 C ATOM 309 O ALA A 22 -10.856 0.630 9.927 1.00 0.00 O ATOM 310 CB ALA A 22 -8.966 2.422 10.977 1.00 0.00 C ATOM 0 H ALA A 22 -9.462 3.677 8.884 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.799 1.393 9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.892 1.626 11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.187 3.162 11.161 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.944 2.898 11.053 1.00 0.00 H new ATOM 316 N ILE A 23 -9.438 -0.157 8.382 1.00 0.00 N ATOM 317 CA ILE A 23 -10.272 -1.259 7.903 1.00 0.00 C ATOM 318 C ILE A 23 -9.772 -2.583 8.524 1.00 0.00 C ATOM 319 O ILE A 23 -8.558 -2.758 8.681 1.00 0.00 O ATOM 320 CB ILE A 23 -10.375 -1.259 6.343 1.00 0.00 C ATOM 321 CG1 ILE A 23 -9.942 -2.595 5.704 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.654 -0.096 5.636 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.210 -2.716 4.210 1.00 0.00 C ATOM 0 H ILE A 23 -8.526 -0.124 7.926 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.302 -1.131 8.237 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.443 -1.114 6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.875 -2.733 5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.457 -3.408 6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.786 -0.188 4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.074 0.851 5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.591 -0.127 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.870 -3.690 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.279 -2.615 4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.673 -1.930 3.679 1.00 0.00 H new ATOM 335 N PRO A 24 -10.644 -3.571 8.801 1.00 0.00 N ATOM 336 CA PRO A 24 -10.244 -4.893 9.268 1.00 0.00 C ATOM 337 C PRO A 24 -9.621 -5.732 8.147 1.00 0.00 C ATOM 338 O PRO A 24 -9.927 -5.590 6.966 1.00 0.00 O ATOM 339 CB PRO A 24 -11.530 -5.554 9.769 1.00 0.00 C ATOM 340 CG PRO A 24 -12.613 -4.905 8.921 1.00 0.00 C ATOM 341 CD PRO A 24 -12.088 -3.493 8.676 1.00 0.00 C ATOM 0 HA PRO A 24 -9.484 -4.815 10.045 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.506 -6.635 9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.688 -5.371 10.832 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.764 -5.443 7.985 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.572 -4.891 9.439 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.374 -3.137 7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.504 -2.792 9.399 1.00 0.00 H new ATOM 349 N ARG A 25 -8.807 -6.722 8.518 1.00 0.00 N ATOM 350 CA ARG A 25 -8.129 -7.588 7.550 1.00 0.00 C ATOM 351 C ARG A 25 -9.066 -8.364 6.628 1.00 0.00 C ATOM 352 O ARG A 25 -8.624 -8.786 5.562 1.00 0.00 O ATOM 353 CB ARG A 25 -7.204 -8.566 8.305 1.00 0.00 C ATOM 354 CG ARG A 25 -8.000 -9.716 8.956 1.00 0.00 C ATOM 355 CD ARG A 25 -7.147 -10.658 9.806 1.00 0.00 C ATOM 356 NE ARG A 25 -7.610 -12.054 9.684 1.00 0.00 N ATOM 357 CZ ARG A 25 -8.803 -12.567 10.012 1.00 0.00 C ATOM 358 NH1 ARG A 25 -9.730 -11.837 10.626 1.00 0.00 N ATOM 359 NH2 ARG A 25 -9.075 -13.830 9.726 1.00 0.00 N ATOM 0 H ARG A 25 -8.600 -6.946 9.491 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.558 -6.929 6.897 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.468 -8.978 7.614 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.652 -8.025 9.073 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.787 -9.292 9.580 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.491 -10.294 8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.105 -10.589 9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.189 -10.348 10.850 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.934 -12.714 9.300 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.540 -10.862 10.858 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.631 -12.252 10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.378 -14.408 9.258 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.982 -14.225 9.974 1.00 0.00 H new ATOM 373 N ALA A 26 -10.291 -8.633 7.074 1.00 0.00 N ATOM 374 CA ALA A 26 -11.228 -9.444 6.323 1.00 0.00 C ATOM 375 C ALA A 26 -11.736 -8.672 5.109 1.00 0.00 C ATOM 376 O ALA A 26 -11.880 -9.238 4.027 1.00 0.00 O ATOM 377 CB ALA A 26 -12.378 -9.827 7.249 1.00 0.00 C ATOM 0 H ALA A 26 -10.655 -8.293 7.964 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.740 -10.347 5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.096 -10.439 6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.990 -10.392 8.096 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.871 -8.924 7.610 1.00 0.00 H new ATOM 383 N GLU A 27 -11.999 -7.379 5.302 1.00 0.00 N ATOM 384 CA GLU A 27 -12.608 -6.512 4.301 1.00 0.00 C ATOM 385 C GLU A 27 -11.703 -6.399 3.082 1.00 0.00 C ATOM 386 O GLU A 27 -12.196 -6.413 1.965 1.00 0.00 O ATOM 387 CB GLU A 27 -12.874 -5.144 4.938 1.00 0.00 C ATOM 388 CG GLU A 27 -14.143 -5.168 5.795 1.00 0.00 C ATOM 389 CD GLU A 27 -15.420 -5.095 4.969 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.856 -3.963 4.676 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.086 -6.138 4.773 1.00 0.00 O ATOM 0 H GLU A 27 -11.789 -6.899 6.177 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.554 -6.932 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.022 -4.855 5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.974 -4.390 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.155 -6.080 6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.120 -4.331 6.493 1.00 0.00 H new ATOM 398 N VAL A 28 -10.384 -6.418 3.285 1.00 0.00 N ATOM 399 CA VAL A 28 -9.376 -6.472 2.239 1.00 0.00 C ATOM 400 C VAL A 28 -9.826 -7.390 1.097 1.00 0.00 C ATOM 401 O VAL A 28 -9.967 -6.922 -0.022 1.00 0.00 O ATOM 402 CB VAL A 28 -8.026 -6.906 2.843 1.00 0.00 C ATOM 403 CG1 VAL A 28 -6.943 -7.034 1.768 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.541 -5.942 3.942 1.00 0.00 C ATOM 0 H VAL A 28 -9.979 -6.395 4.221 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.245 -5.479 1.808 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.199 -7.883 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.005 -7.342 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.246 -7.779 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.805 -6.072 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.586 -6.290 4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.417 -4.944 3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.275 -5.909 4.747 1.00 0.00 H new ATOM 414 N ALA A 29 -10.011 -8.687 1.337 1.00 0.00 N ATOM 415 CA ALA A 29 -10.167 -9.659 0.254 1.00 0.00 C ATOM 416 C ALA A 29 -11.492 -9.529 -0.516 1.00 0.00 C ATOM 417 O ALA A 29 -11.709 -10.254 -1.486 1.00 0.00 O ATOM 418 CB ALA A 29 -10.104 -11.055 0.829 1.00 0.00 C ATOM 0 H ALA A 29 -10.057 -9.090 2.273 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.358 -9.460 -0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.220 -11.784 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.142 -11.204 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.905 -11.185 1.556 1.00 0.00 H new ATOM 424 N GLU A 30 -12.403 -8.696 -0.024 1.00 0.00 N ATOM 425 CA GLU A 30 -13.638 -8.293 -0.682 1.00 0.00 C ATOM 426 C GLU A 30 -13.389 -7.077 -1.601 1.00 0.00 C ATOM 427 O GLU A 30 -14.092 -6.891 -2.593 1.00 0.00 O ATOM 428 CB GLU A 30 -14.678 -8.023 0.432 1.00 0.00 C ATOM 429 CG GLU A 30 -15.851 -7.077 0.122 1.00 0.00 C ATOM 430 CD GLU A 30 -16.963 -7.676 -0.751 1.00 0.00 C ATOM 431 OE1 GLU A 30 -16.910 -8.886 -1.076 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.943 -6.942 -1.028 1.00 0.00 O ATOM 0 H GLU A 30 -12.293 -8.262 0.892 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.022 -9.073 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.096 -8.983 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.145 -7.621 1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.289 -6.747 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.459 -6.190 -0.375 1.00 0.00 H new ATOM 439 N LEU A 31 -12.403 -6.228 -1.283 1.00 0.00 N ATOM 440 CA LEU A 31 -12.050 -5.018 -2.030 1.00 0.00 C ATOM 441 C LEU A 31 -11.075 -5.364 -3.150 1.00 0.00 C ATOM 442 O LEU A 31 -11.149 -4.843 -4.268 1.00 0.00 O ATOM 443 CB LEU A 31 -11.362 -4.011 -1.091 1.00 0.00 C ATOM 444 CG LEU A 31 -12.238 -3.609 0.118 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.411 -2.907 1.182 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.340 -2.628 -0.280 1.00 0.00 C ATOM 0 H LEU A 31 -11.808 -6.372 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.962 -4.588 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.429 -4.442 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.102 -3.116 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.667 -4.538 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.052 -2.635 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.623 -3.575 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.964 -2.007 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.933 -2.371 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.891 -1.724 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.983 -3.088 -1.030 1.00 0.00 H new ATOM 458 N LEU A 32 -10.107 -6.221 -2.818 1.00 0.00 N ATOM 459 CA LEU A 32 -9.159 -6.754 -3.768 1.00 0.00 C ATOM 460 C LEU A 32 -9.869 -7.896 -4.497 1.00 0.00 C ATOM 461 O LEU A 32 -10.595 -8.667 -3.867 1.00 0.00 O ATOM 462 CB LEU A 32 -7.883 -7.265 -3.066 1.00 0.00 C ATOM 463 CG LEU A 32 -7.319 -6.468 -1.871 1.00 0.00 C ATOM 464 CD1 LEU A 32 -5.996 -7.067 -1.422 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.161 -4.966 -2.088 1.00 0.00 C ATOM 0 H LEU A 32 -9.967 -6.562 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.838 -5.979 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.081 -8.280 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.097 -7.331 -3.818 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.079 -6.560 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.606 -6.497 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.149 -8.103 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.282 -7.031 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.758 -4.508 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.480 -4.788 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.133 -4.527 -2.314 1.00 0.00 H new ATOM 477 N VAL A 33 -9.636 -8.047 -5.802 1.00 0.00 N ATOM 478 CA VAL A 33 -10.338 -9.046 -6.614 1.00 0.00 C ATOM 479 C VAL A 33 -9.356 -9.828 -7.483 1.00 0.00 C ATOM 480 O VAL A 33 -9.508 -11.045 -7.649 1.00 0.00 O ATOM 481 CB VAL A 33 -11.430 -8.352 -7.471 1.00 0.00 C ATOM 482 CG1 VAL A 33 -12.326 -9.365 -8.200 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.339 -7.408 -6.666 1.00 0.00 C ATOM 0 H VAL A 33 -8.962 -7.486 -6.323 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.825 -9.763 -5.953 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.865 -7.761 -8.192 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.075 -8.833 -8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.716 -9.980 -8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.824 -10.002 -7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.077 -6.959 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.849 -7.972 -5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.736 -6.622 -6.211 1.00 0.00 H new ATOM 493 N HIS A 34 -8.342 -9.150 -8.023 1.00 0.00 N ATOM 494 CA HIS A 34 -7.336 -9.765 -8.872 1.00 0.00 C ATOM 495 C HIS A 34 -5.998 -9.668 -8.157 1.00 0.00 C ATOM 496 O HIS A 34 -5.819 -8.817 -7.277 1.00 0.00 O ATOM 497 CB HIS A 34 -7.301 -9.043 -10.220 1.00 0.00 C ATOM 498 CG HIS A 34 -8.661 -8.849 -10.850 1.00 0.00 C ATOM 499 ND1 HIS A 34 -9.369 -9.775 -11.586 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.441 -7.730 -10.728 1.00 0.00 C ATOM 501 CE1 HIS A 34 -10.545 -9.211 -11.916 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.621 -7.954 -11.442 1.00 0.00 N ATOM 0 H HIS A 34 -8.200 -8.150 -7.878 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.566 -10.813 -9.062 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.832 -8.068 -10.086 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.671 -9.608 -10.907 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.189 -6.835 -10.179 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.322 -9.701 -12.484 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.388 -7.295 -11.577 1.00 0.00 H new ATOM 510 N SER A 35 -5.047 -10.529 -8.519 1.00 0.00 N ATOM 511 CA SER A 35 -3.741 -10.442 -7.907 1.00 0.00 C ATOM 512 C SER A 35 -3.089 -9.126 -8.333 1.00 0.00 C ATOM 513 O SER A 35 -2.980 -8.832 -9.529 1.00 0.00 O ATOM 514 CB SER A 35 -2.892 -11.694 -8.129 1.00 0.00 C ATOM 515 OG SER A 35 -2.727 -12.089 -9.480 1.00 0.00 O ATOM 0 H SER A 35 -5.159 -11.269 -9.212 1.00 0.00 H new ATOM 0 HA SER A 35 -3.841 -10.418 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.906 -11.525 -7.695 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.344 -12.520 -7.580 1.00 0.00 H new ATOM 0 HG SER A 35 -2.170 -12.895 -9.520 1.00 0.00 H new ATOM 521 N GLY A 36 -2.699 -8.311 -7.358 1.00 0.00 N ATOM 522 CA GLY A 36 -2.124 -7.000 -7.586 1.00 0.00 C ATOM 523 C GLY A 36 -2.903 -5.859 -6.977 1.00 0.00 C ATOM 524 O GLY A 36 -2.288 -4.819 -6.741 1.00 0.00 O ATOM 0 H GLY A 36 -2.777 -8.553 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.111 -6.987 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.043 -6.835 -8.660 1.00 0.00 H new ATOM 528 N ASP A 37 -4.211 -6.034 -6.767 1.00 0.00 N ATOM 529 CA ASP A 37 -5.059 -5.079 -6.058 1.00 0.00 C ATOM 530 C ASP A 37 -4.461 -4.901 -4.671 1.00 0.00 C ATOM 531 O ASP A 37 -4.192 -5.904 -4.006 1.00 0.00 O ATOM 532 CB ASP A 37 -6.519 -5.563 -6.002 1.00 0.00 C ATOM 533 CG ASP A 37 -7.312 -5.164 -7.252 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.259 -5.897 -8.266 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.011 -4.126 -7.204 1.00 0.00 O ATOM 0 H ASP A 37 -4.716 -6.858 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.087 -4.122 -6.579 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.536 -6.648 -5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.004 -5.147 -5.119 1.00 0.00 H new ATOM 540 N PHE A 38 -4.227 -3.660 -4.238 1.00 0.00 N ATOM 541 CA PHE A 38 -3.701 -3.334 -2.922 1.00 0.00 C ATOM 542 C PHE A 38 -4.457 -2.153 -2.322 1.00 0.00 C ATOM 543 O PHE A 38 -5.000 -1.305 -3.036 1.00 0.00 O ATOM 544 CB PHE A 38 -2.182 -3.047 -2.978 1.00 0.00 C ATOM 545 CG PHE A 38 -1.774 -1.811 -3.754 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.933 -0.528 -3.197 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.262 -1.942 -5.058 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.664 0.608 -3.974 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.009 -0.802 -5.838 1.00 0.00 C ATOM 550 CZ PHE A 38 -1.225 0.476 -5.296 1.00 0.00 C ATOM 0 H PHE A 38 -4.405 -2.836 -4.813 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.848 -4.200 -2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.811 -2.951 -1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.684 -3.911 -3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.261 -0.419 -2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.063 -2.924 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.797 1.592 -3.549 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.650 -0.907 -6.851 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.052 1.355 -5.899 1.00 0.00 H new ATOM 560 N LEU A 39 -4.411 -2.062 -0.991 1.00 0.00 N ATOM 561 CA LEU A 39 -4.883 -0.932 -0.204 1.00 0.00 C ATOM 562 C LEU A 39 -3.973 -0.740 1.011 1.00 0.00 C ATOM 563 O LEU A 39 -3.324 -1.692 1.463 1.00 0.00 O ATOM 564 CB LEU A 39 -6.364 -1.135 0.153 1.00 0.00 C ATOM 565 CG LEU A 39 -6.684 -2.134 1.285 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.787 -1.484 2.653 1.00 0.00 C ATOM 567 CD2 LEU A 39 -8.022 -2.807 1.002 1.00 0.00 C ATOM 0 H LEU A 39 -4.026 -2.809 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.830 -0.007 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.781 -0.166 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.887 -1.463 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.857 -2.844 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.014 -2.244 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.840 -1.003 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.581 -0.737 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.250 -3.513 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.806 -2.051 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.968 -3.339 0.052 1.00 0.00 H new ATOM 579 N VAL A 40 -3.924 0.484 1.535 1.00 0.00 N ATOM 580 CA VAL A 40 -3.330 0.821 2.823 1.00 0.00 C ATOM 581 C VAL A 40 -4.482 0.929 3.801 1.00 0.00 C ATOM 582 O VAL A 40 -5.430 1.687 3.579 1.00 0.00 O ATOM 583 CB VAL A 40 -2.508 2.123 2.759 1.00 0.00 C ATOM 584 CG1 VAL A 40 -2.085 2.646 4.142 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.237 1.861 1.945 1.00 0.00 C ATOM 0 H VAL A 40 -4.312 1.296 1.055 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.620 0.055 3.136 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.147 2.878 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.510 3.564 4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.973 2.848 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.472 1.896 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.645 2.774 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.652 1.077 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.509 1.545 0.938 1.00 0.00 H new ATOM 595 N ARG A 41 -4.387 0.140 4.865 1.00 0.00 N ATOM 596 CA ARG A 41 -5.286 0.186 6.000 1.00 0.00 C ATOM 597 C ARG A 41 -4.480 0.564 7.227 1.00 0.00 C ATOM 598 O ARG A 41 -3.261 0.399 7.223 1.00 0.00 O ATOM 599 CB ARG A 41 -6.007 -1.162 6.173 1.00 0.00 C ATOM 600 CG ARG A 41 -5.042 -2.282 6.557 1.00 0.00 C ATOM 601 CD ARG A 41 -5.684 -3.662 6.600 1.00 0.00 C ATOM 602 NE ARG A 41 -6.202 -3.969 7.942 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.798 -4.937 8.766 1.00 0.00 C ATOM 604 NH1 ARG A 41 -4.890 -5.823 8.365 1.00 0.00 N ATOM 605 NH2 ARG A 41 -6.309 -5.037 9.985 1.00 0.00 N ATOM 0 H ARG A 41 -3.659 -0.568 4.959 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.063 0.934 5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.775 -1.066 6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.515 -1.423 5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.217 -2.298 5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.614 -2.060 7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.496 -3.710 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.952 -4.415 6.309 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.957 -3.373 8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.500 -5.764 7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.584 -6.562 8.998 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.016 -4.371 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.996 -5.780 10.610 1.00 0.00 H new ATOM 619 N GLU A 42 -5.123 1.015 8.291 1.00 0.00 N ATOM 620 CA GLU A 42 -4.493 1.125 9.600 1.00 0.00 C ATOM 621 C GLU A 42 -4.636 -0.212 10.335 1.00 0.00 C ATOM 622 O GLU A 42 -5.450 -1.062 9.964 1.00 0.00 O ATOM 623 CB GLU A 42 -5.076 2.334 10.340 1.00 0.00 C ATOM 624 CG GLU A 42 -4.177 2.869 11.470 1.00 0.00 C ATOM 625 CD GLU A 42 -4.711 4.172 12.084 1.00 0.00 C ATOM 626 OE1 GLU A 42 -5.864 4.570 11.819 1.00 0.00 O ATOM 627 OE2 GLU A 42 -3.966 4.856 12.823 1.00 0.00 O ATOM 0 H GLU A 42 -6.097 1.316 8.274 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.422 1.313 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.255 3.135 9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.044 2.059 10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.092 2.113 12.250 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.173 3.040 11.081 1.00 0.00 H new ATOM 634 N SER A 43 -3.805 -0.422 11.352 1.00 0.00 N ATOM 635 CA SER A 43 -3.763 -1.627 12.155 1.00 0.00 C ATOM 636 C SER A 43 -4.860 -1.598 13.223 1.00 0.00 C ATOM 637 O SER A 43 -5.765 -0.762 13.211 1.00 0.00 O ATOM 638 CB SER A 43 -2.358 -1.759 12.756 1.00 0.00 C ATOM 639 OG SER A 43 -2.026 -3.096 13.065 1.00 0.00 O ATOM 0 H SER A 43 -3.119 0.273 11.646 1.00 0.00 H new ATOM 0 HA SER A 43 -3.959 -2.506 11.540 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.627 -1.359 12.053 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.295 -1.154 13.660 1.00 0.00 H new ATOM 0 HG SER A 43 -1.179 -3.117 13.557 1.00 0.00 H new ATOM 645 N GLN A 44 -4.791 -2.578 14.123 1.00 0.00 N ATOM 646 CA GLN A 44 -5.775 -2.883 15.150 1.00 0.00 C ATOM 647 C GLN A 44 -5.872 -1.735 16.163 1.00 0.00 C ATOM 648 O GLN A 44 -6.670 -0.817 15.971 1.00 0.00 O ATOM 649 CB GLN A 44 -5.392 -4.227 15.789 1.00 0.00 C ATOM 650 CG GLN A 44 -5.474 -5.401 14.802 1.00 0.00 C ATOM 651 CD GLN A 44 -6.664 -6.297 15.117 1.00 0.00 C ATOM 652 OE1 GLN A 44 -7.820 -5.936 14.900 1.00 0.00 O ATOM 653 NE2 GLN A 44 -6.436 -7.490 15.631 1.00 0.00 N ATOM 0 H GLN A 44 -3.996 -3.217 14.153 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.773 -2.979 14.722 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.378 -4.160 16.184 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.051 -4.423 16.635 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.561 -5.020 13.784 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.554 -5.983 14.847 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.479 -7.793 15.812 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.217 -8.110 15.847 1.00 0.00 H new ATOM 662 N GLY A 45 -5.054 -1.751 17.217 1.00 0.00 N ATOM 663 CA GLY A 45 -4.964 -0.679 18.200 1.00 0.00 C ATOM 664 C GLY A 45 -3.694 0.147 18.034 1.00 0.00 C ATOM 665 O GLY A 45 -3.560 1.187 18.677 1.00 0.00 O ATOM 0 H GLY A 45 -4.423 -2.529 17.412 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.834 -0.028 18.107 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.990 -1.105 19.203 1.00 0.00 H new ATOM 669 N LYS A 46 -2.753 -0.300 17.198 1.00 0.00 N ATOM 670 CA LYS A 46 -1.506 0.411 16.934 1.00 0.00 C ATOM 671 C LYS A 46 -1.774 1.638 16.062 1.00 0.00 C ATOM 672 O LYS A 46 -2.834 1.734 15.437 1.00 0.00 O ATOM 673 CB LYS A 46 -0.488 -0.523 16.260 1.00 0.00 C ATOM 674 CG LYS A 46 -0.312 -1.907 16.893 1.00 0.00 C ATOM 675 CD LYS A 46 -0.052 -1.867 18.400 1.00 0.00 C ATOM 676 CE LYS A 46 0.014 -3.294 18.938 1.00 0.00 C ATOM 677 NZ LYS A 46 1.348 -3.906 18.776 1.00 0.00 N ATOM 0 H LYS A 46 -2.840 -1.175 16.682 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.085 0.746 17.882 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.784 -0.658 15.220 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.481 -0.024 16.253 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.207 -2.500 16.704 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.518 -2.417 16.404 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.882 -1.345 18.606 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.844 -1.313 18.903 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.254 -3.292 19.995 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.726 -3.906 18.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.335 -4.873 19.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.596 -3.936 17.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.054 -3.341 19.289 1.00 0.00 H new ATOM 691 N GLN A 47 -0.792 2.533 15.996 1.00 0.00 N ATOM 692 CA GLN A 47 -0.759 3.728 15.162 1.00 0.00 C ATOM 693 C GLN A 47 0.108 3.403 13.937 1.00 0.00 C ATOM 694 O GLN A 47 1.102 4.072 13.658 1.00 0.00 O ATOM 695 CB GLN A 47 -0.198 4.909 15.984 1.00 0.00 C ATOM 696 CG GLN A 47 -0.902 5.111 17.334 1.00 0.00 C ATOM 697 CD GLN A 47 -0.429 6.389 18.026 1.00 0.00 C ATOM 698 OE1 GLN A 47 0.662 6.433 18.589 1.00 0.00 O ATOM 699 NE2 GLN A 47 -1.234 7.435 18.023 1.00 0.00 N ATOM 0 H GLN A 47 0.053 2.436 16.559 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.753 4.021 14.825 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.865 4.745 16.160 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.287 5.823 15.397 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.980 5.157 17.180 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.708 4.254 17.979 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.137 7.382 17.551 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.953 8.296 18.493 1.00 0.00 H new ATOM 708 N GLU A 48 -0.176 2.283 13.274 1.00 0.00 N ATOM 709 CA GLU A 48 0.714 1.599 12.351 1.00 0.00 C ATOM 710 C GLU A 48 -0.152 1.268 11.142 1.00 0.00 C ATOM 711 O GLU A 48 -1.304 0.861 11.318 1.00 0.00 O ATOM 712 CB GLU A 48 1.298 0.382 13.113 1.00 0.00 C ATOM 713 CG GLU A 48 1.373 -0.986 12.422 1.00 0.00 C ATOM 714 CD GLU A 48 1.484 -2.123 13.459 1.00 0.00 C ATOM 715 OE1 GLU A 48 2.591 -2.357 14.001 1.00 0.00 O ATOM 716 OE2 GLU A 48 0.457 -2.784 13.763 1.00 0.00 O ATOM 0 H GLU A 48 -1.074 1.810 13.374 1.00 0.00 H new ATOM 0 HA GLU A 48 1.573 2.167 11.995 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.309 0.646 13.421 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.710 0.255 14.022 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.486 -1.136 11.806 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.233 -1.013 11.753 1.00 0.00 H new ATOM 723 N TYR A 49 0.364 1.462 9.929 1.00 0.00 N ATOM 724 CA TYR A 49 -0.372 1.111 8.719 1.00 0.00 C ATOM 725 C TYR A 49 0.031 -0.278 8.240 1.00 0.00 C ATOM 726 O TYR A 49 1.088 -0.813 8.593 1.00 0.00 O ATOM 727 CB TYR A 49 -0.175 2.159 7.619 1.00 0.00 C ATOM 728 CG TYR A 49 -0.831 3.495 7.874 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.228 3.586 8.002 1.00 0.00 C ATOM 730 CD2 TYR A 49 -0.047 4.657 7.938 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.842 4.823 8.264 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.654 5.902 8.152 1.00 0.00 C ATOM 733 CZ TYR A 49 -2.050 5.990 8.347 1.00 0.00 C ATOM 734 OH TYR A 49 -2.609 7.204 8.608 1.00 0.00 O ATOM 0 H TYR A 49 1.288 1.860 9.760 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.435 1.096 8.960 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.894 2.319 7.480 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.562 1.756 6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.834 2.698 7.898 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.025 4.592 7.822 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.912 4.881 8.401 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.051 6.798 8.168 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.909 7.889 8.628 1.00 0.00 H new ATOM 744 N VAL A 50 -0.808 -0.859 7.390 1.00 0.00 N ATOM 745 CA VAL A 50 -0.689 -2.205 6.875 1.00 0.00 C ATOM 746 C VAL A 50 -1.029 -2.135 5.394 1.00 0.00 C ATOM 747 O VAL A 50 -2.063 -1.605 4.984 1.00 0.00 O ATOM 748 CB VAL A 50 -1.625 -3.157 7.636 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.310 -4.628 7.316 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.556 -2.930 9.146 1.00 0.00 C ATOM 0 H VAL A 50 -1.629 -0.374 7.027 1.00 0.00 H new ATOM 0 HA VAL A 50 0.319 -2.599 7.010 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.638 -2.935 7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.990 -5.275 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.434 -4.802 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.282 -4.851 7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.232 -3.622 9.649 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.537 -3.101 9.493 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.850 -1.905 9.374 1.00 0.00 H new ATOM 760 N LEU A 51 -0.108 -2.626 4.587 1.00 0.00 N ATOM 761 CA LEU A 51 -0.307 -2.858 3.172 1.00 0.00 C ATOM 762 C LEU A 51 -1.012 -4.189 3.021 1.00 0.00 C ATOM 763 O LEU A 51 -0.560 -5.201 3.564 1.00 0.00 O ATOM 764 CB LEU A 51 1.034 -2.944 2.432 1.00 0.00 C ATOM 765 CG LEU A 51 0.818 -2.778 0.919 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.823 -1.293 0.547 1.00 0.00 C ATOM 767 CD2 LEU A 51 1.894 -3.538 0.157 1.00 0.00 C ATOM 0 H LEU A 51 0.826 -2.881 4.909 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.886 -2.035 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.709 -2.170 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.509 -3.904 2.636 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.152 -3.192 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.669 -1.186 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.022 -0.781 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.781 -0.852 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.736 -3.417 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.875 -3.146 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.843 -4.596 0.414 1.00 0.00 H new ATOM 779 N SER A 52 -2.105 -4.196 2.272 1.00 0.00 N ATOM 780 CA SER A 52 -2.926 -5.375 2.104 1.00 0.00 C ATOM 781 C SER A 52 -3.092 -5.593 0.606 1.00 0.00 C ATOM 782 O SER A 52 -3.680 -4.735 -0.044 1.00 0.00 O ATOM 783 CB SER A 52 -4.238 -5.190 2.871 1.00 0.00 C ATOM 784 OG SER A 52 -4.029 -4.498 4.091 1.00 0.00 O ATOM 0 H SER A 52 -2.444 -3.379 1.764 1.00 0.00 H new ATOM 0 HA SER A 52 -2.474 -6.275 2.520 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.947 -4.638 2.254 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.683 -6.164 3.075 1.00 0.00 H new ATOM 0 HG SER A 52 -4.552 -3.669 4.091 1.00 0.00 H new ATOM 790 N VAL A 53 -2.503 -6.656 0.046 1.00 0.00 N ATOM 791 CA VAL A 53 -2.394 -6.889 -1.393 1.00 0.00 C ATOM 792 C VAL A 53 -2.645 -8.365 -1.717 1.00 0.00 C ATOM 793 O VAL A 53 -2.115 -9.248 -1.044 1.00 0.00 O ATOM 794 CB VAL A 53 -1.033 -6.367 -1.899 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.176 -6.885 -1.102 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.859 -6.631 -3.405 1.00 0.00 C ATOM 0 H VAL A 53 -2.077 -7.398 0.601 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.164 -6.331 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.055 -5.290 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.093 -6.471 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.083 -6.578 -0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.210 -7.973 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.109 -6.252 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.912 -7.703 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.651 -6.125 -3.957 1.00 0.00 H new ATOM 806 N LEU A 54 -3.484 -8.636 -2.717 1.00 0.00 N ATOM 807 CA LEU A 54 -3.952 -9.967 -3.093 1.00 0.00 C ATOM 808 C LEU A 54 -2.887 -10.581 -3.988 1.00 0.00 C ATOM 809 O LEU A 54 -2.571 -9.997 -5.021 1.00 0.00 O ATOM 810 CB LEU A 54 -5.325 -9.824 -3.790 1.00 0.00 C ATOM 811 CG LEU A 54 -6.238 -11.062 -3.908 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.471 -11.742 -2.567 1.00 0.00 C ATOM 813 CD2 LEU A 54 -7.568 -10.700 -4.560 1.00 0.00 C ATOM 0 H LEU A 54 -3.871 -7.903 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.098 -10.625 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.884 -9.053 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.145 -9.451 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.716 -11.775 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.120 -12.607 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.516 -12.067 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.944 -11.040 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.193 -11.590 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.076 -9.948 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.387 -10.303 -5.559 1.00 0.00 H new ATOM 825 N TRP A 55 -2.317 -11.730 -3.620 1.00 0.00 N ATOM 826 CA TRP A 55 -1.236 -12.366 -4.360 1.00 0.00 C ATOM 827 C TRP A 55 -1.524 -13.860 -4.457 1.00 0.00 C ATOM 828 O TRP A 55 -1.491 -14.545 -3.436 1.00 0.00 O ATOM 829 CB TRP A 55 0.102 -12.080 -3.655 1.00 0.00 C ATOM 830 CG TRP A 55 1.285 -11.964 -4.563 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.453 -12.633 -4.440 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.456 -11.073 -5.706 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.299 -12.280 -5.471 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.752 -11.293 -6.260 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.668 -10.058 -6.287 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.266 -10.503 -7.299 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.158 -9.293 -7.359 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.452 -9.514 -7.862 1.00 0.00 C ATOM 0 H TRP A 55 -2.600 -12.248 -2.788 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.167 -11.966 -5.371 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.006 -11.154 -3.089 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.293 -12.876 -2.935 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.688 -13.336 -3.655 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.216 -12.698 -5.629 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.323 -9.866 -5.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.273 -10.656 -7.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.535 -8.529 -7.800 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.819 -8.919 -8.685 1.00 0.00 H new ATOM 849 N ASP A 56 -1.801 -14.382 -5.656 1.00 0.00 N ATOM 850 CA ASP A 56 -2.213 -15.779 -5.865 1.00 0.00 C ATOM 851 C ASP A 56 -3.403 -16.128 -4.946 1.00 0.00 C ATOM 852 O ASP A 56 -3.408 -17.137 -4.240 1.00 0.00 O ATOM 853 CB ASP A 56 -1.000 -16.734 -5.721 1.00 0.00 C ATOM 854 CG ASP A 56 -0.333 -17.079 -7.052 1.00 0.00 C ATOM 855 OD1 ASP A 56 0.588 -16.347 -7.491 1.00 0.00 O ATOM 856 OD2 ASP A 56 -0.705 -18.090 -7.687 1.00 0.00 O ATOM 0 H ASP A 56 -1.746 -13.843 -6.520 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.571 -15.911 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.263 -16.275 -5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.328 -17.655 -5.239 1.00 0.00 H new ATOM 861 N GLY A 57 -4.416 -15.257 -4.913 1.00 0.00 N ATOM 862 CA GLY A 57 -5.671 -15.441 -4.187 1.00 0.00 C ATOM 863 C GLY A 57 -5.536 -15.224 -2.683 1.00 0.00 C ATOM 864 O GLY A 57 -6.504 -15.412 -1.946 1.00 0.00 O ATOM 0 H GLY A 57 -4.380 -14.369 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.415 -14.749 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.044 -16.449 -4.370 1.00 0.00 H new ATOM 868 N LEU A 58 -4.347 -14.833 -2.217 1.00 0.00 N ATOM 869 CA LEU A 58 -4.014 -14.695 -0.806 1.00 0.00 C ATOM 870 C LEU A 58 -3.762 -13.218 -0.515 1.00 0.00 C ATOM 871 O LEU A 58 -2.717 -12.704 -0.914 1.00 0.00 O ATOM 872 CB LEU A 58 -2.799 -15.578 -0.485 1.00 0.00 C ATOM 873 CG LEU A 58 -2.382 -15.730 0.988 1.00 0.00 C ATOM 874 CD1 LEU A 58 -1.809 -14.463 1.625 1.00 0.00 C ATOM 875 CD2 LEU A 58 -3.521 -16.258 1.858 1.00 0.00 C ATOM 0 H LEU A 58 -3.569 -14.598 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.831 -15.030 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.998 -16.574 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.945 -15.182 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.574 -16.461 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.543 -14.666 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.920 -14.150 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.555 -13.669 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.179 -16.349 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.363 -15.567 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.835 -17.236 1.492 1.00 0.00 H new ATOM 887 N PRO A 59 -4.675 -12.522 0.183 1.00 0.00 N ATOM 888 CA PRO A 59 -4.464 -11.163 0.662 1.00 0.00 C ATOM 889 C PRO A 59 -3.329 -11.170 1.683 1.00 0.00 C ATOM 890 O PRO A 59 -3.506 -11.550 2.845 1.00 0.00 O ATOM 891 CB PRO A 59 -5.802 -10.706 1.241 1.00 0.00 C ATOM 892 CG PRO A 59 -6.470 -12.018 1.638 1.00 0.00 C ATOM 893 CD PRO A 59 -5.939 -13.044 0.665 1.00 0.00 C ATOM 0 HA PRO A 59 -4.162 -10.467 -0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.667 -10.046 2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.393 -10.158 0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.228 -12.288 2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.556 -11.942 1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.802 -14.009 1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.637 -13.199 -0.158 1.00 0.00 H new ATOM 901 N ARG A 60 -2.129 -10.825 1.230 1.00 0.00 N ATOM 902 CA ARG A 60 -0.981 -10.609 2.084 1.00 0.00 C ATOM 903 C ARG A 60 -1.253 -9.364 2.911 1.00 0.00 C ATOM 904 O ARG A 60 -1.998 -8.486 2.478 1.00 0.00 O ATOM 905 CB ARG A 60 0.261 -10.385 1.218 1.00 0.00 C ATOM 906 CG ARG A 60 0.579 -11.515 0.226 1.00 0.00 C ATOM 907 CD ARG A 60 1.288 -12.661 0.949 1.00 0.00 C ATOM 908 NE ARG A 60 1.498 -13.828 0.081 1.00 0.00 N ATOM 909 CZ ARG A 60 2.188 -14.920 0.429 1.00 0.00 C ATOM 910 NH1 ARG A 60 2.729 -15.026 1.643 1.00 0.00 N ATOM 911 NH2 ARG A 60 2.340 -15.893 -0.452 1.00 0.00 N ATOM 0 H ARG A 60 -1.930 -10.687 0.239 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.811 -11.471 2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.132 -9.458 0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.121 -10.246 1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.341 -11.877 -0.233 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.209 -11.137 -0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.251 -12.311 1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.699 -12.959 1.817 1.00 0.00 H new ATOM 0 HE ARG A 60 1.089 -13.804 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.619 -14.269 2.318 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.253 -15.864 1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.934 -15.806 -1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.864 -16.731 -0.201 1.00 0.00 H new ATOM 925 N HIS A 61 -0.625 -9.266 4.075 1.00 0.00 N ATOM 926 CA HIS A 61 -0.850 -8.188 5.026 1.00 0.00 C ATOM 927 C HIS A 61 0.496 -7.815 5.647 1.00 0.00 C ATOM 928 O HIS A 61 0.877 -8.313 6.711 1.00 0.00 O ATOM 929 CB HIS A 61 -1.955 -8.585 6.026 1.00 0.00 C ATOM 930 CG HIS A 61 -1.805 -9.955 6.654 1.00 0.00 C ATOM 931 ND1 HIS A 61 -1.185 -10.225 7.847 1.00 0.00 N ATOM 932 CD2 HIS A 61 -2.258 -11.146 6.149 1.00 0.00 C ATOM 933 CE1 HIS A 61 -1.244 -11.551 8.051 1.00 0.00 C ATOM 934 NE2 HIS A 61 -1.872 -12.165 7.036 1.00 0.00 N ATOM 0 H HIS A 61 0.067 -9.946 4.389 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.231 -7.286 4.547 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.985 -7.841 6.822 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.916 -8.543 5.514 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.813 -11.278 5.232 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.840 -12.056 8.916 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.036 -13.166 6.930 1.00 0.00 H new ATOM 942 N PHE A 62 1.290 -7.021 4.928 1.00 0.00 N ATOM 943 CA PHE A 62 2.592 -6.543 5.382 1.00 0.00 C ATOM 944 C PHE A 62 2.368 -5.261 6.151 1.00 0.00 C ATOM 945 O PHE A 62 1.702 -4.357 5.663 1.00 0.00 O ATOM 946 CB PHE A 62 3.554 -6.301 4.203 1.00 0.00 C ATOM 947 CG PHE A 62 3.676 -7.489 3.276 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.445 -8.597 3.669 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.969 -7.516 2.058 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.509 -9.733 2.849 1.00 0.00 C ATOM 951 CE2 PHE A 62 3.064 -8.639 1.220 1.00 0.00 C ATOM 952 CZ PHE A 62 3.834 -9.751 1.618 1.00 0.00 C ATOM 0 H PHE A 62 1.040 -6.687 3.997 1.00 0.00 H new ATOM 0 HA PHE A 62 3.056 -7.299 6.015 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.209 -5.438 3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.540 -6.051 4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.987 -8.574 4.603 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.356 -6.675 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.078 -10.595 3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.548 -8.651 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.905 -10.617 0.976 1.00 0.00 H new ATOM 962 N ILE A 63 2.910 -5.167 7.354 1.00 0.00 N ATOM 963 CA ILE A 63 3.002 -3.890 8.034 1.00 0.00 C ATOM 964 C ILE A 63 3.816 -2.957 7.137 1.00 0.00 C ATOM 965 O ILE A 63 4.857 -3.363 6.607 1.00 0.00 O ATOM 966 CB ILE A 63 3.612 -4.092 9.429 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.678 -4.951 10.306 1.00 0.00 C ATOM 968 CG2 ILE A 63 3.940 -2.751 10.090 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.303 -4.349 10.624 1.00 0.00 C ATOM 0 H ILE A 63 3.291 -5.956 7.876 1.00 0.00 H new ATOM 0 HA ILE A 63 2.025 -3.436 8.200 1.00 0.00 H new ATOM 0 HB ILE A 63 4.553 -4.630 9.319 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.526 -5.909 9.808 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.187 -5.158 11.247 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.370 -2.927 11.076 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.656 -2.207 9.474 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.028 -2.163 10.192 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.737 -5.043 11.246 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.433 -3.407 11.157 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.761 -4.169 9.696 1.00 0.00 H new ATOM 981 N ILE A 64 3.303 -1.742 6.947 1.00 0.00 N ATOM 982 CA ILE A 64 3.966 -0.670 6.224 1.00 0.00 C ATOM 983 C ILE A 64 5.306 -0.398 6.902 1.00 0.00 C ATOM 984 O ILE A 64 5.491 -0.587 8.112 1.00 0.00 O ATOM 985 CB ILE A 64 3.047 0.574 6.159 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.799 0.323 5.291 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.734 1.873 5.711 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.049 0.301 3.791 1.00 0.00 C ATOM 0 H ILE A 64 2.386 -1.474 7.305 1.00 0.00 H new ATOM 0 HA ILE A 64 4.164 -0.951 5.189 1.00 0.00 H new ATOM 0 HB ILE A 64 2.752 0.728 7.197 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.358 -0.630 5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.062 1.096 5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.006 2.684 5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.538 2.118 6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.147 1.740 4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.110 0.118 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.458 1.261 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.758 -0.492 3.552 1.00 0.00 H new ATOM 1000 N GLN A 65 6.260 0.020 6.085 1.00 0.00 N ATOM 1001 CA GLN A 65 7.624 0.284 6.503 1.00 0.00 C ATOM 1002 C GLN A 65 7.637 1.407 7.539 1.00 0.00 C ATOM 1003 O GLN A 65 6.659 2.137 7.667 1.00 0.00 O ATOM 1004 CB GLN A 65 8.490 0.670 5.283 1.00 0.00 C ATOM 1005 CG GLN A 65 8.117 -0.055 3.973 1.00 0.00 C ATOM 1006 CD GLN A 65 7.067 0.689 3.149 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.883 0.360 3.197 1.00 0.00 O ATOM 1008 NE2 GLN A 65 7.464 1.701 2.394 1.00 0.00 N ATOM 0 H GLN A 65 6.102 0.188 5.091 1.00 0.00 H new ATOM 0 HA GLN A 65 8.041 -0.618 6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.410 1.745 5.123 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.534 0.459 5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.016 -0.187 3.370 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.744 -1.051 4.211 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.450 1.960 2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.784 2.222 1.840 1.00 0.00 H new ATOM 1017 N SER A 66 8.752 1.599 8.229 1.00 0.00 N ATOM 1018 CA SER A 66 9.016 2.756 9.064 1.00 0.00 C ATOM 1019 C SER A 66 10.439 2.568 9.566 1.00 0.00 C ATOM 1020 O SER A 66 10.824 1.459 9.956 1.00 0.00 O ATOM 1021 CB SER A 66 8.050 2.789 10.252 1.00 0.00 C ATOM 1022 OG SER A 66 8.135 3.998 10.992 1.00 0.00 O ATOM 0 H SER A 66 9.522 0.930 8.221 1.00 0.00 H new ATOM 0 HA SER A 66 8.888 3.688 8.514 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.030 2.660 9.890 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.263 1.948 10.912 1.00 0.00 H new ATOM 0 HG SER A 66 7.499 3.971 11.737 1.00 0.00 H new ATOM 1028 N LEU A 67 11.216 3.641 9.580 1.00 0.00 N ATOM 1029 CA LEU A 67 12.506 3.681 10.253 1.00 0.00 C ATOM 1030 C LEU A 67 12.642 4.973 11.050 1.00 0.00 C ATOM 1031 O LEU A 67 12.004 5.119 12.092 1.00 0.00 O ATOM 1032 CB LEU A 67 13.669 3.418 9.276 1.00 0.00 C ATOM 1033 CG LEU A 67 13.685 4.303 8.008 1.00 0.00 C ATOM 1034 CD1 LEU A 67 15.121 4.694 7.650 1.00 0.00 C ATOM 1035 CD2 LEU A 67 13.071 3.552 6.834 1.00 0.00 C ATOM 0 H LEU A 67 10.966 4.517 9.120 1.00 0.00 H new ATOM 0 HA LEU A 67 12.560 2.865 10.973 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.609 3.561 9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.633 2.373 8.968 1.00 0.00 H new ATOM 0 HG LEU A 67 13.103 5.202 8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 67 15.116 5.317 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.564 5.250 8.477 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.707 3.794 7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.088 4.186 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.644 2.645 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.041 3.287 7.071 1.00 0.00 H new ATOM 1047 N ASP A 68 13.506 5.888 10.606 1.00 0.00 N ATOM 1048 CA ASP A 68 13.888 7.049 11.385 1.00 0.00 C ATOM 1049 C ASP A 68 12.784 8.087 11.300 1.00 0.00 C ATOM 1050 O ASP A 68 12.285 8.560 12.319 1.00 0.00 O ATOM 1051 CB ASP A 68 15.209 7.610 10.852 1.00 0.00 C ATOM 1052 CG ASP A 68 16.044 8.076 12.032 1.00 0.00 C ATOM 1053 OD1 ASP A 68 16.660 7.204 12.681 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.076 9.292 12.324 1.00 0.00 O ATOM 0 H ASP A 68 13.957 5.837 9.693 1.00 0.00 H new ATOM 0 HA ASP A 68 14.030 6.772 12.430 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.744 6.847 10.287 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.021 8.439 10.170 1.00 0.00 H new ATOM 1059 N ASN A 69 12.424 8.422 10.061 1.00 0.00 N ATOM 1060 CA ASN A 69 11.348 9.310 9.661 1.00 0.00 C ATOM 1061 C ASN A 69 11.090 9.086 8.163 1.00 0.00 C ATOM 1062 O ASN A 69 10.979 10.045 7.401 1.00 0.00 O ATOM 1063 CB ASN A 69 11.748 10.761 9.977 1.00 0.00 C ATOM 1064 CG ASN A 69 10.587 11.718 9.781 1.00 0.00 C ATOM 1065 OD1 ASN A 69 10.628 12.595 8.924 1.00 0.00 O ATOM 1066 ND2 ASN A 69 9.532 11.582 10.565 1.00 0.00 N ATOM 0 H ASN A 69 12.920 8.047 9.253 1.00 0.00 H new ATOM 0 HA ASN A 69 10.427 9.105 10.207 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.103 10.825 11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.577 11.058 9.335 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.736 12.211 10.462 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.514 10.848 11.273 1.00 0.00 H new ATOM 1073 N LEU A 70 11.184 7.830 7.702 1.00 0.00 N ATOM 1074 CA LEU A 70 11.001 7.434 6.302 1.00 0.00 C ATOM 1075 C LEU A 70 10.373 6.041 6.230 1.00 0.00 C ATOM 1076 O LEU A 70 10.310 5.331 7.237 1.00 0.00 O ATOM 1077 CB LEU A 70 12.339 7.369 5.536 1.00 0.00 C ATOM 1078 CG LEU A 70 13.262 8.593 5.623 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.692 8.142 5.338 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.842 9.693 4.650 1.00 0.00 C ATOM 0 H LEU A 70 11.396 7.041 8.312 1.00 0.00 H new ATOM 0 HA LEU A 70 10.359 8.188 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.893 6.503 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.117 7.188 4.484 1.00 0.00 H new ATOM 0 HG LEU A 70 13.193 9.017 6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.362 9.000 5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.992 7.397 6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.744 7.707 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.521 10.541 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.878 9.310 3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.826 10.015 4.881 1.00 0.00 H new ATOM 1092 N TYR A 71 10.035 5.596 5.017 1.00 0.00 N ATOM 1093 CA TYR A 71 9.381 4.310 4.761 1.00 0.00 C ATOM 1094 C TYR A 71 10.155 3.556 3.671 1.00 0.00 C ATOM 1095 O TYR A 71 10.105 3.990 2.530 1.00 0.00 O ATOM 1096 CB TYR A 71 7.926 4.561 4.291 1.00 0.00 C ATOM 1097 CG TYR A 71 7.106 5.538 5.109 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.374 5.080 6.213 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.046 6.897 4.753 1.00 0.00 C ATOM 1100 CE1 TYR A 71 5.614 5.963 6.989 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.294 7.797 5.524 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.576 7.334 6.646 1.00 0.00 C ATOM 1103 OH TYR A 71 4.829 8.209 7.371 1.00 0.00 O ATOM 0 H TYR A 71 10.212 6.131 4.167 1.00 0.00 H new ATOM 0 HA TYR A 71 9.368 3.714 5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.958 4.921 3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.403 3.605 4.278 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.397 4.031 6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.580 7.250 3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.061 5.600 7.843 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.265 8.843 5.258 1.00 0.00 H new ATOM 0 HH TYR A 71 4.922 9.109 6.994 1.00 0.00 H new ATOM 1113 N ARG A 72 10.845 2.440 3.950 1.00 0.00 N ATOM 1114 CA ARG A 72 11.626 1.690 2.944 1.00 0.00 C ATOM 1115 C ARG A 72 11.388 0.180 3.007 1.00 0.00 C ATOM 1116 O ARG A 72 11.284 -0.383 4.099 1.00 0.00 O ATOM 1117 CB ARG A 72 13.121 1.975 3.137 1.00 0.00 C ATOM 1118 CG ARG A 72 13.730 1.410 4.423 1.00 0.00 C ATOM 1119 CD ARG A 72 14.298 0.001 4.258 1.00 0.00 C ATOM 1120 NE ARG A 72 15.717 -0.051 3.881 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.399 -1.199 3.762 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.787 -2.368 3.949 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.688 -1.191 3.465 1.00 0.00 N ATOM 0 H ARG A 72 10.880 2.027 4.882 1.00 0.00 H new ATOM 0 HA ARG A 72 11.290 2.030 1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.666 1.566 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.274 3.054 3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.523 2.076 4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.968 1.397 5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.165 -0.541 5.194 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.716 -0.524 3.501 1.00 0.00 H new ATOM 0 HE ARG A 72 16.205 0.826 3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.795 -2.392 4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.311 -3.238 3.857 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.173 -0.305 3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.197 -2.071 3.377 1.00 0.00 H new ATOM 1137 N LEU A 73 11.313 -0.514 1.873 1.00 0.00 N ATOM 1138 CA LEU A 73 10.939 -1.928 1.808 1.00 0.00 C ATOM 1139 C LEU A 73 12.049 -2.749 1.188 1.00 0.00 C ATOM 1140 O LEU A 73 12.588 -3.594 1.909 1.00 0.00 O ATOM 1141 CB LEU A 73 9.593 -2.117 1.107 1.00 0.00 C ATOM 1142 CG LEU A 73 8.911 -3.463 1.335 1.00 0.00 C ATOM 1143 CD1 LEU A 73 8.747 -3.873 2.801 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.553 -3.284 0.709 1.00 0.00 C ATOM 0 H LEU A 73 11.513 -0.105 0.960 1.00 0.00 H new ATOM 0 HA LEU A 73 10.805 -2.298 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.918 -1.328 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.740 -1.982 0.035 1.00 0.00 H new ATOM 0 HG LEU A 73 9.521 -4.259 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.252 -4.843 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.728 -3.940 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.144 -3.129 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.977 -4.203 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.029 -2.466 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.668 -3.053 -0.350 1.00 0.00 H new ATOM 1156 N GLU A 74 12.438 -2.481 -0.065 1.00 0.00 N ATOM 1157 CA GLU A 74 13.639 -3.080 -0.649 1.00 0.00 C ATOM 1158 C GLU A 74 14.737 -2.054 -0.959 1.00 0.00 C ATOM 1159 O GLU A 74 15.880 -2.428 -1.234 1.00 0.00 O ATOM 1160 CB GLU A 74 13.347 -3.934 -1.896 1.00 0.00 C ATOM 1161 CG GLU A 74 14.501 -4.944 -2.096 1.00 0.00 C ATOM 1162 CD GLU A 74 14.184 -6.177 -2.937 1.00 0.00 C ATOM 1163 OE1 GLU A 74 14.255 -6.104 -4.182 1.00 0.00 O ATOM 1164 OE2 GLU A 74 14.031 -7.279 -2.353 1.00 0.00 O ATOM 0 H GLU A 74 11.936 -1.852 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 74 14.013 -3.744 0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.401 -4.462 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.248 -3.296 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.337 -4.420 -2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.838 -5.277 -1.114 1.00 0.00 H new ATOM 1171 N GLY A 75 14.398 -0.770 -0.991 1.00 0.00 N ATOM 1172 CA GLY A 75 15.212 0.279 -1.578 1.00 0.00 C ATOM 1173 C GLY A 75 15.447 1.391 -0.563 1.00 0.00 C ATOM 1174 O GLY A 75 15.443 1.116 0.641 1.00 0.00 O ATOM 0 H GLY A 75 13.523 -0.424 -0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.167 -0.132 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.718 0.682 -2.462 1.00 0.00 H new ATOM 1178 N GLU A 76 15.702 2.625 -1.007 1.00 0.00 N ATOM 1179 CA GLU A 76 15.723 3.782 -0.107 1.00 0.00 C ATOM 1180 C GLU A 76 14.339 3.994 0.524 1.00 0.00 C ATOM 1181 O GLU A 76 13.355 3.354 0.139 1.00 0.00 O ATOM 1182 CB GLU A 76 16.217 5.053 -0.828 1.00 0.00 C ATOM 1183 CG GLU A 76 15.150 5.690 -1.730 1.00 0.00 C ATOM 1184 CD GLU A 76 15.649 6.952 -2.425 1.00 0.00 C ATOM 1185 OE1 GLU A 76 15.742 8.019 -1.778 1.00 0.00 O ATOM 1186 OE2 GLU A 76 15.902 6.883 -3.647 1.00 0.00 O ATOM 0 H GLU A 76 15.897 2.849 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 76 16.434 3.576 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.538 5.783 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.091 4.805 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.835 4.966 -2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.271 5.932 -1.132 1.00 0.00 H new ATOM 1193 N GLY A 77 14.259 4.920 1.475 1.00 0.00 N ATOM 1194 CA GLY A 77 13.023 5.396 2.065 1.00 0.00 C ATOM 1195 C GLY A 77 12.709 6.806 1.598 1.00 0.00 C ATOM 1196 O GLY A 77 13.580 7.502 1.082 1.00 0.00 O ATOM 0 H GLY A 77 15.085 5.372 1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.205 4.728 1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.103 5.378 3.152 1.00 0.00 H new ATOM 1200 N PHE A 78 11.458 7.214 1.799 1.00 0.00 N ATOM 1201 CA PHE A 78 10.929 8.535 1.457 1.00 0.00 C ATOM 1202 C PHE A 78 10.129 9.065 2.647 1.00 0.00 C ATOM 1203 O PHE A 78 9.713 8.262 3.481 1.00 0.00 O ATOM 1204 CB PHE A 78 10.036 8.484 0.195 1.00 0.00 C ATOM 1205 CG PHE A 78 10.777 8.760 -1.099 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.709 7.833 -1.591 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.541 9.951 -1.815 1.00 0.00 C ATOM 1208 CE1 PHE A 78 12.343 8.059 -2.825 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.191 10.191 -3.035 1.00 0.00 C ATOM 1210 CZ PHE A 78 12.081 9.235 -3.549 1.00 0.00 C ATOM 0 H PHE A 78 10.755 6.609 2.222 1.00 0.00 H new ATOM 0 HA PHE A 78 11.764 9.200 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.570 7.500 0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.231 9.211 0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.939 6.945 -1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 78 9.854 10.685 -1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 78 13.033 7.327 -3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.007 11.107 -3.576 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.564 9.403 -4.500 1.00 0.00 H new ATOM 1220 N PRO A 79 9.860 10.381 2.702 1.00 0.00 N ATOM 1221 CA PRO A 79 9.110 11.042 3.770 1.00 0.00 C ATOM 1222 C PRO A 79 7.604 10.774 3.749 1.00 0.00 C ATOM 1223 O PRO A 79 6.890 11.219 4.649 1.00 0.00 O ATOM 1224 CB PRO A 79 9.347 12.538 3.556 1.00 0.00 C ATOM 1225 CG PRO A 79 9.642 12.662 2.066 1.00 0.00 C ATOM 1226 CD PRO A 79 10.345 11.356 1.741 1.00 0.00 C ATOM 0 HA PRO A 79 9.455 10.660 4.731 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.472 13.124 3.839 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.181 12.899 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.729 12.783 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.274 13.524 1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.125 11.039 0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.427 11.468 1.814 1.00 0.00 H new ATOM 1234 N SER A 80 7.076 10.106 2.726 1.00 0.00 N ATOM 1235 CA SER A 80 5.650 9.836 2.621 1.00 0.00 C ATOM 1236 C SER A 80 5.492 8.409 2.118 1.00 0.00 C ATOM 1237 O SER A 80 6.338 7.911 1.372 1.00 0.00 O ATOM 1238 CB SER A 80 4.990 10.870 1.703 1.00 0.00 C ATOM 1239 OG SER A 80 5.502 12.172 1.937 1.00 0.00 O ATOM 0 H SER A 80 7.626 9.739 1.950 1.00 0.00 H new ATOM 0 HA SER A 80 5.149 9.923 3.585 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.157 10.594 0.662 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.912 10.867 1.865 1.00 0.00 H new ATOM 0 HG SER A 80 5.063 12.809 1.336 1.00 0.00 H new ATOM 1245 N ILE A 81 4.425 7.740 2.551 1.00 0.00 N ATOM 1246 CA ILE A 81 4.065 6.428 2.046 1.00 0.00 C ATOM 1247 C ILE A 81 3.779 6.557 0.545 1.00 0.00 C ATOM 1248 O ILE A 81 4.344 5.754 -0.200 1.00 0.00 O ATOM 1249 CB ILE A 81 2.904 5.813 2.871 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.437 5.449 4.275 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.255 4.573 2.224 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.363 5.288 5.357 1.00 0.00 C ATOM 0 H ILE A 81 3.788 8.098 3.263 1.00 0.00 H new ATOM 0 HA ILE A 81 4.886 5.721 2.164 1.00 0.00 H new ATOM 0 HB ILE A 81 2.117 6.566 2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.000 4.519 4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.137 6.222 4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.453 4.206 2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.846 4.843 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.006 3.793 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.837 5.033 6.305 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.813 6.223 5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.674 4.493 5.070 1.00 0.00 H new ATOM 1264 N PRO A 82 2.958 7.528 0.077 1.00 0.00 N ATOM 1265 CA PRO A 82 2.559 7.586 -1.325 1.00 0.00 C ATOM 1266 C PRO A 82 3.757 7.844 -2.242 1.00 0.00 C ATOM 1267 O PRO A 82 3.815 7.305 -3.342 1.00 0.00 O ATOM 1268 CB PRO A 82 1.504 8.693 -1.413 1.00 0.00 C ATOM 1269 CG PRO A 82 1.712 9.543 -0.171 1.00 0.00 C ATOM 1270 CD PRO A 82 2.236 8.546 0.837 1.00 0.00 C ATOM 0 HA PRO A 82 2.149 6.635 -1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.629 9.284 -2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.497 8.276 -1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.423 10.350 -0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.783 10.005 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.894 9.032 1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.418 8.100 1.403 1.00 0.00 H new ATOM 1278 N LEU A 83 4.746 8.608 -1.768 1.00 0.00 N ATOM 1279 CA LEU A 83 5.921 8.999 -2.540 1.00 0.00 C ATOM 1280 C LEU A 83 6.797 7.793 -2.860 1.00 0.00 C ATOM 1281 O LEU A 83 7.527 7.809 -3.849 1.00 0.00 O ATOM 1282 CB LEU A 83 6.719 10.054 -1.746 1.00 0.00 C ATOM 1283 CG LEU A 83 6.286 11.508 -2.020 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.819 11.836 -1.747 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.172 12.475 -1.229 1.00 0.00 C ATOM 0 H LEU A 83 4.749 8.977 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 83 5.595 9.426 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.612 9.849 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.777 9.950 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 83 6.410 11.628 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.632 12.885 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.184 11.210 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.593 11.647 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.860 13.500 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.077 12.267 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.211 12.347 -1.532 1.00 0.00 H new ATOM 1297 N LEU A 84 6.716 6.756 -2.026 1.00 0.00 N ATOM 1298 CA LEU A 84 7.431 5.505 -2.200 1.00 0.00 C ATOM 1299 C LEU A 84 6.601 4.530 -3.043 1.00 0.00 C ATOM 1300 O LEU A 84 7.168 3.773 -3.828 1.00 0.00 O ATOM 1301 CB LEU A 84 7.690 4.914 -0.807 1.00 0.00 C ATOM 1302 CG LEU A 84 8.922 3.998 -0.648 1.00 0.00 C ATOM 1303 CD1 LEU A 84 9.274 3.112 -1.843 1.00 0.00 C ATOM 1304 CD2 LEU A 84 10.150 4.841 -0.348 1.00 0.00 C ATOM 0 H LEU A 84 6.133 6.770 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 84 8.373 5.678 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.790 5.740 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.807 4.347 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 84 8.639 3.327 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.156 2.517 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.437 2.449 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.479 3.738 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.018 4.192 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.322 5.539 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.992 5.398 0.575 1.00 0.00 H new ATOM 1316 N ILE A 85 5.265 4.522 -2.891 1.00 0.00 N ATOM 1317 CA ILE A 85 4.380 3.624 -3.637 1.00 0.00 C ATOM 1318 C ILE A 85 4.698 3.685 -5.124 1.00 0.00 C ATOM 1319 O ILE A 85 4.748 2.637 -5.759 1.00 0.00 O ATOM 1320 CB ILE A 85 2.884 3.922 -3.357 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.455 3.479 -1.941 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.940 3.309 -4.413 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.618 1.988 -1.625 1.00 0.00 C ATOM 0 H ILE A 85 4.773 5.140 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 85 4.562 2.607 -3.291 1.00 0.00 H new ATOM 0 HB ILE A 85 2.791 5.006 -3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.032 4.049 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.408 3.748 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.907 3.552 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.180 3.715 -5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.065 2.226 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.286 1.794 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.018 1.401 -2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.667 1.707 -1.725 1.00 0.00 H new ATOM 1335 N ASP A 86 4.936 4.871 -5.681 1.00 0.00 N ATOM 1336 CA ASP A 86 5.175 4.983 -7.114 1.00 0.00 C ATOM 1337 C ASP A 86 6.410 4.196 -7.525 1.00 0.00 C ATOM 1338 O ASP A 86 6.357 3.468 -8.513 1.00 0.00 O ATOM 1339 CB ASP A 86 5.307 6.449 -7.515 1.00 0.00 C ATOM 1340 CG ASP A 86 5.043 6.644 -9.007 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.943 6.262 -9.474 1.00 0.00 O ATOM 1342 OD2 ASP A 86 5.894 7.256 -9.690 1.00 0.00 O ATOM 0 H ASP A 86 4.968 5.753 -5.170 1.00 0.00 H new ATOM 0 HA ASP A 86 4.320 4.556 -7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.605 7.050 -6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.308 6.806 -7.271 1.00 0.00 H new ATOM 1347 N HIS A 87 7.496 4.256 -6.746 1.00 0.00 N ATOM 1348 CA HIS A 87 8.703 3.509 -7.074 1.00 0.00 C ATOM 1349 C HIS A 87 8.520 1.996 -6.903 1.00 0.00 C ATOM 1350 O HIS A 87 9.392 1.252 -7.335 1.00 0.00 O ATOM 1351 CB HIS A 87 9.909 3.919 -6.217 1.00 0.00 C ATOM 1352 CG HIS A 87 10.324 5.367 -6.210 1.00 0.00 C ATOM 1353 ND1 HIS A 87 9.654 6.450 -6.741 1.00 0.00 N ATOM 1354 CD2 HIS A 87 11.486 5.834 -5.656 1.00 0.00 C ATOM 1355 CE1 HIS A 87 10.367 7.548 -6.457 1.00 0.00 C ATOM 1356 NE2 HIS A 87 11.524 7.214 -5.863 1.00 0.00 N ATOM 0 H HIS A 87 7.559 4.811 -5.892 1.00 0.00 H new ATOM 0 HA HIS A 87 8.893 3.751 -8.120 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.699 3.629 -5.188 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.765 3.330 -6.545 1.00 0.00 H new ATOM 0 HD2 HIS A 87 12.236 5.243 -5.151 1.00 0.00 H new ATOM 0 HE1 HIS A 87 10.055 8.559 -6.675 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.284 7.846 -5.612 1.00 0.00 H new ATOM 1364 N LEU A 88 7.439 1.502 -6.288 1.00 0.00 N ATOM 1365 CA LEU A 88 7.072 0.100 -6.142 1.00 0.00 C ATOM 1366 C LEU A 88 6.010 -0.324 -7.155 1.00 0.00 C ATOM 1367 O LEU A 88 5.819 -1.516 -7.409 1.00 0.00 O ATOM 1368 CB LEU A 88 6.525 -0.094 -4.748 1.00 0.00 C ATOM 1369 CG LEU A 88 7.598 -0.044 -3.652 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.570 -1.416 -2.979 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.071 0.252 -3.986 1.00 0.00 C ATOM 0 H LEU A 88 6.754 2.119 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 88 7.957 -0.511 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.779 0.676 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.012 -1.055 -4.699 1.00 0.00 H new ATOM 0 HG LEU A 88 7.314 0.832 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.315 -1.447 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.581 -1.594 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.794 -2.187 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.661 0.241 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.449 -0.508 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.148 1.233 -4.455 1.00 0.00 H new ATOM 1383 N LEU A 89 5.309 0.651 -7.729 1.00 0.00 N ATOM 1384 CA LEU A 89 4.283 0.436 -8.732 1.00 0.00 C ATOM 1385 C LEU A 89 4.882 0.527 -10.123 1.00 0.00 C ATOM 1386 O LEU A 89 4.426 -0.169 -11.029 1.00 0.00 O ATOM 1387 CB LEU A 89 3.154 1.457 -8.524 1.00 0.00 C ATOM 1388 CG LEU A 89 1.781 0.803 -8.729 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.779 1.330 -7.709 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.218 0.959 -10.124 1.00 0.00 C ATOM 0 H LEU A 89 5.446 1.635 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 89 3.862 -0.564 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.216 1.875 -7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.274 2.286 -9.222 1.00 0.00 H new ATOM 0 HG LEU A 89 1.946 -0.265 -8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.189 0.855 -7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.131 1.104 -6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.677 2.409 -7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.247 0.468 -10.181 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.103 2.018 -10.354 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.898 0.503 -10.844 1.00 0.00 H new ATOM 1402 N SER A 90 5.945 1.314 -10.276 1.00 0.00 N ATOM 1403 CA SER A 90 6.486 1.682 -11.563 1.00 0.00 C ATOM 1404 C SER A 90 7.804 0.949 -11.898 1.00 0.00 C ATOM 1405 O SER A 90 8.335 1.128 -12.995 1.00 0.00 O ATOM 1406 CB SER A 90 6.612 3.209 -11.603 1.00 0.00 C ATOM 1407 OG SER A 90 6.372 3.694 -12.903 1.00 0.00 O ATOM 0 H SER A 90 6.456 1.716 -9.490 1.00 0.00 H new ATOM 0 HA SER A 90 5.805 1.358 -12.350 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.903 3.656 -10.906 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.609 3.505 -11.277 1.00 0.00 H new ATOM 0 HG SER A 90 6.455 4.670 -12.908 1.00 0.00 H new ATOM 1413 N THR A 91 8.320 0.070 -11.024 1.00 0.00 N ATOM 1414 CA THR A 91 9.412 -0.864 -11.353 1.00 0.00 C ATOM 1415 C THR A 91 8.966 -2.324 -11.179 1.00 0.00 C ATOM 1416 O THR A 91 9.519 -3.175 -11.871 1.00 0.00 O ATOM 1417 CB THR A 91 10.749 -0.539 -10.626 1.00 0.00 C ATOM 1418 OG1 THR A 91 10.946 -1.262 -9.436 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.955 0.949 -10.323 1.00 0.00 C ATOM 0 H THR A 91 7.990 -0.014 -10.063 1.00 0.00 H new ATOM 0 HA THR A 91 9.638 -0.722 -12.410 1.00 0.00 H new ATOM 0 HB THR A 91 11.492 -0.854 -11.359 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.222 -1.061 -8.807 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.910 1.088 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.953 1.514 -11.255 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.149 1.305 -9.682 1.00 0.00 H new ATOM 1427 N GLN A 92 7.926 -2.609 -10.365 1.00 0.00 N ATOM 1428 CA GLN A 92 7.445 -3.958 -10.038 1.00 0.00 C ATOM 1429 C GLN A 92 8.419 -4.628 -9.059 1.00 0.00 C ATOM 1430 O GLN A 92 8.707 -5.824 -9.150 1.00 0.00 O ATOM 1431 CB GLN A 92 7.142 -4.802 -11.301 1.00 0.00 C ATOM 1432 CG GLN A 92 6.260 -4.079 -12.334 1.00 0.00 C ATOM 1433 CD GLN A 92 4.824 -3.991 -11.838 1.00 0.00 C ATOM 1434 OE1 GLN A 92 4.040 -4.904 -12.068 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.432 -2.952 -11.121 1.00 0.00 N ATOM 0 H GLN A 92 7.384 -1.878 -9.905 1.00 0.00 H new ATOM 0 HA GLN A 92 6.481 -3.879 -9.535 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.083 -5.082 -11.774 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.649 -5.726 -10.999 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.650 -3.078 -12.517 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.291 -4.612 -13.284 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.083 -2.191 -10.928 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.479 -2.912 -10.761 1.00 0.00 H new ATOM 1444 N GLN A 93 8.982 -3.826 -8.155 1.00 0.00 N ATOM 1445 CA GLN A 93 9.909 -4.293 -7.135 1.00 0.00 C ATOM 1446 C GLN A 93 9.182 -5.236 -6.167 1.00 0.00 C ATOM 1447 O GLN A 93 8.008 -5.015 -5.862 1.00 0.00 O ATOM 1448 CB GLN A 93 10.492 -3.107 -6.354 1.00 0.00 C ATOM 1449 CG GLN A 93 11.935 -2.774 -6.733 1.00 0.00 C ATOM 1450 CD GLN A 93 12.292 -1.412 -6.155 1.00 0.00 C ATOM 1451 OE1 GLN A 93 12.606 -1.269 -4.976 1.00 0.00 O ATOM 1452 NE2 GLN A 93 12.170 -0.379 -6.967 1.00 0.00 N ATOM 0 H GLN A 93 8.802 -2.823 -8.114 1.00 0.00 H new ATOM 0 HA GLN A 93 10.724 -4.827 -7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.869 -2.229 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.447 -3.328 -5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.612 -3.537 -6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.048 -2.765 -7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.908 -0.525 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.338 0.565 -6.620 1.00 0.00 H new ATOM 1461 N PRO A 94 9.876 -6.257 -5.645 1.00 0.00 N ATOM 1462 CA PRO A 94 9.308 -7.186 -4.694 1.00 0.00 C ATOM 1463 C PRO A 94 9.227 -6.568 -3.295 1.00 0.00 C ATOM 1464 O PRO A 94 10.171 -5.934 -2.813 1.00 0.00 O ATOM 1465 CB PRO A 94 10.220 -8.412 -4.726 1.00 0.00 C ATOM 1466 CG PRO A 94 11.582 -7.816 -5.085 1.00 0.00 C ATOM 1467 CD PRO A 94 11.254 -6.594 -5.948 1.00 0.00 C ATOM 0 HA PRO A 94 8.283 -7.453 -4.951 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.244 -8.923 -3.763 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.891 -9.141 -5.466 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.138 -7.532 -4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.197 -8.532 -5.630 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.920 -5.762 -5.718 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.378 -6.818 -7.007 1.00 0.00 H new ATOM 1475 N LEU A 95 8.132 -6.852 -2.593 1.00 0.00 N ATOM 1476 CA LEU A 95 7.848 -6.350 -1.252 1.00 0.00 C ATOM 1477 C LEU A 95 8.531 -7.153 -0.154 1.00 0.00 C ATOM 1478 O LEU A 95 8.695 -6.671 0.969 1.00 0.00 O ATOM 1479 CB LEU A 95 6.352 -6.407 -0.960 1.00 0.00 C ATOM 1480 CG LEU A 95 5.450 -5.588 -1.890 1.00 0.00 C ATOM 1481 CD1 LEU A 95 4.096 -5.462 -1.202 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.973 -4.198 -2.229 1.00 0.00 C ATOM 0 H LEU A 95 7.395 -7.457 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 95 8.227 -5.328 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.034 -7.449 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.189 -6.067 0.063 1.00 0.00 H new ATOM 0 HG LEU A 95 5.401 -6.114 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.420 -4.884 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.678 -6.455 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.220 -4.957 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.268 -3.695 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.087 -3.619 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.939 -4.284 -2.726 1.00 0.00 H new ATOM 1494 N THR A 96 8.856 -8.411 -0.426 1.00 0.00 N ATOM 1495 CA THR A 96 9.647 -9.209 0.481 1.00 0.00 C ATOM 1496 C THR A 96 10.231 -10.368 -0.304 1.00 0.00 C ATOM 1497 O THR A 96 9.535 -11.008 -1.102 1.00 0.00 O ATOM 1498 CB THR A 96 8.789 -9.652 1.681 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.516 -10.485 2.562 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.464 -10.327 1.311 1.00 0.00 C ATOM 0 H THR A 96 8.577 -8.897 -1.278 1.00 0.00 H new ATOM 0 HA THR A 96 10.473 -8.636 0.902 1.00 0.00 H new ATOM 0 HB THR A 96 8.529 -8.719 2.181 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.943 -10.746 3.313 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.930 -10.603 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.854 -9.637 0.728 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.664 -11.222 0.721 1.00 0.00 H new ATOM 1508 N LYS A 97 11.469 -10.738 0.026 1.00 0.00 N ATOM 1509 CA LYS A 97 12.100 -11.971 -0.424 1.00 0.00 C ATOM 1510 C LYS A 97 11.405 -13.227 0.116 1.00 0.00 C ATOM 1511 O LYS A 97 11.873 -14.330 -0.157 1.00 0.00 O ATOM 1512 CB LYS A 97 13.591 -11.941 -0.035 1.00 0.00 C ATOM 1513 CG LYS A 97 14.527 -12.416 -1.157 1.00 0.00 C ATOM 1514 CD LYS A 97 14.810 -11.355 -2.235 1.00 0.00 C ATOM 1515 CE LYS A 97 13.790 -11.246 -3.383 1.00 0.00 C ATOM 1516 NZ LYS A 97 13.801 -12.415 -4.291 1.00 0.00 N ATOM 0 H LYS A 97 12.071 -10.174 0.627 1.00 0.00 H new ATOM 0 HA LYS A 97 12.004 -12.027 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.864 -10.925 0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.742 -12.569 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.473 -12.731 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.089 -13.293 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.877 -10.383 -1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.789 -11.562 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.791 -11.131 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.998 -10.345 -3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.093 -12.279 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.744 -12.513 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.574 -13.275 -3.752 1.00 0.00 H new ATOM 1530 N LYS A 98 10.311 -13.112 0.875 1.00 0.00 N ATOM 1531 CA LYS A 98 9.473 -14.243 1.258 1.00 0.00 C ATOM 1532 C LYS A 98 8.345 -14.543 0.290 1.00 0.00 C ATOM 1533 O LYS A 98 7.809 -15.655 0.354 1.00 0.00 O ATOM 1534 CB LYS A 98 8.862 -13.974 2.639 1.00 0.00 C ATOM 1535 CG LYS A 98 9.839 -14.254 3.782 1.00 0.00 C ATOM 1536 CD LYS A 98 10.270 -15.730 3.798 1.00 0.00 C ATOM 1537 CE LYS A 98 11.656 -15.951 3.169 1.00 0.00 C ATOM 1538 NZ LYS A 98 11.941 -17.392 3.037 1.00 0.00 N ATOM 0 H LYS A 98 9.982 -12.219 1.243 1.00 0.00 H new ATOM 0 HA LYS A 98 10.129 -15.113 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.536 -12.935 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.974 -14.593 2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.717 -13.617 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.372 -13.999 4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.281 -16.090 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.532 -16.325 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.697 -15.475 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.421 -15.478 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.881 -17.522 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.922 -17.837 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.221 -17.834 2.430 1.00 0.00 H new ATOM 1552 N SER A 99 7.917 -13.584 -0.527 1.00 0.00 N ATOM 1553 CA SER A 99 6.702 -13.760 -1.309 1.00 0.00 C ATOM 1554 C SER A 99 6.735 -13.058 -2.673 1.00 0.00 C ATOM 1555 O SER A 99 5.815 -13.268 -3.457 1.00 0.00 O ATOM 1556 CB SER A 99 5.496 -13.302 -0.478 1.00 0.00 C ATOM 1557 OG SER A 99 5.475 -13.907 0.801 1.00 0.00 O ATOM 0 H SER A 99 8.388 -12.689 -0.662 1.00 0.00 H new ATOM 0 HA SER A 99 6.617 -14.822 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.523 -12.218 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.576 -13.545 -1.009 1.00 0.00 H new ATOM 0 HG SER A 99 4.793 -13.475 1.356 1.00 0.00 H new ATOM 1563 N GLY A 100 7.750 -12.230 -2.960 1.00 0.00 N ATOM 1564 CA GLY A 100 7.983 -11.583 -4.252 1.00 0.00 C ATOM 1565 C GLY A 100 6.834 -10.706 -4.739 1.00 0.00 C ATOM 1566 O GLY A 100 6.769 -10.406 -5.929 1.00 0.00 O ATOM 0 H GLY A 100 8.458 -11.985 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.884 -10.973 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.177 -12.352 -4.999 1.00 0.00 H new ATOM 1570 N VAL A 101 5.945 -10.292 -3.838 1.00 0.00 N ATOM 1571 CA VAL A 101 4.766 -9.501 -4.127 1.00 0.00 C ATOM 1572 C VAL A 101 5.193 -8.209 -4.809 1.00 0.00 C ATOM 1573 O VAL A 101 6.201 -7.658 -4.390 1.00 0.00 O ATOM 1574 CB VAL A 101 4.044 -9.225 -2.802 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.619 -8.728 -3.005 1.00 0.00 C ATOM 1576 CG2 VAL A 101 4.016 -10.412 -1.837 1.00 0.00 C ATOM 0 H VAL A 101 6.037 -10.512 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 101 4.086 -10.027 -4.797 1.00 0.00 H new ATOM 0 HB VAL A 101 4.647 -8.440 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.155 -8.549 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.635 -7.800 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.046 -9.479 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.487 -10.129 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.505 -11.252 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.037 -10.702 -1.588 1.00 0.00 H new ATOM 1586 N VAL A 102 4.455 -7.698 -5.793 1.00 0.00 N ATOM 1587 CA VAL A 102 4.738 -6.399 -6.399 1.00 0.00 C ATOM 1588 C VAL A 102 3.425 -5.615 -6.481 1.00 0.00 C ATOM 1589 O VAL A 102 2.351 -6.229 -6.466 1.00 0.00 O ATOM 1590 CB VAL A 102 5.467 -6.568 -7.750 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.417 -7.772 -7.820 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.561 -6.532 -8.982 1.00 0.00 C ATOM 0 H VAL A 102 3.645 -8.173 -6.192 1.00 0.00 H new ATOM 0 HA VAL A 102 5.428 -5.819 -5.787 1.00 0.00 H new ATOM 0 HB VAL A 102 6.082 -5.669 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.884 -7.811 -8.804 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.188 -7.672 -7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.854 -8.690 -7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.164 -6.659 -9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.829 -7.338 -8.919 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.043 -5.574 -9.025 1.00 0.00 H new ATOM 1602 N LEU A 103 3.457 -4.280 -6.499 1.00 0.00 N ATOM 1603 CA LEU A 103 2.242 -3.485 -6.649 1.00 0.00 C ATOM 1604 C LEU A 103 1.827 -3.504 -8.112 1.00 0.00 C ATOM 1605 O LEU A 103 2.667 -3.347 -8.997 1.00 0.00 O ATOM 1606 CB LEU A 103 2.474 -2.031 -6.215 1.00 0.00 C ATOM 1607 CG LEU A 103 3.006 -1.803 -4.791 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.101 -0.299 -4.548 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.114 -2.374 -3.692 1.00 0.00 C ATOM 0 H LEU A 103 4.312 -3.730 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 103 1.463 -3.912 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.175 -1.577 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.531 -1.494 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 103 3.967 -2.315 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.477 -0.116 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.781 0.145 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.113 0.150 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.560 -2.171 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.130 -1.909 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.014 -3.451 -3.827 1.00 0.00 H new ATOM 1621 N HIS A 104 0.528 -3.619 -8.373 1.00 0.00 N ATOM 1622 CA HIS A 104 0.007 -3.634 -9.731 1.00 0.00 C ATOM 1623 C HIS A 104 -1.260 -2.790 -9.863 1.00 0.00 C ATOM 1624 O HIS A 104 -1.432 -2.112 -10.878 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.402 -5.057 -10.078 1.00 0.00 C ATOM 1626 CG HIS A 104 0.620 -6.133 -10.311 1.00 0.00 C ATOM 1627 ND1 HIS A 104 1.873 -5.986 -10.843 1.00 0.00 N ATOM 1628 CD2 HIS A 104 0.334 -7.471 -10.323 1.00 0.00 C ATOM 1629 CE1 HIS A 104 2.327 -7.201 -11.187 1.00 0.00 C ATOM 1630 NE2 HIS A 104 1.415 -8.142 -10.903 1.00 0.00 N ATOM 0 H HIS A 104 -0.188 -3.704 -7.651 1.00 0.00 H new ATOM 0 HA HIS A 104 0.787 -3.241 -10.383 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -1.051 -5.405 -9.274 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.013 -5.000 -10.979 1.00 0.00 H new ATOM 0 HD1 HIS A 104 2.375 -5.105 -10.958 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -0.570 -7.929 -9.949 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.292 -7.394 -11.631 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.201 -2.877 -8.912 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.507 -2.231 -9.007 1.00 0.00 C ATOM 1640 C ARG A 105 -3.871 -1.628 -7.662 1.00 0.00 C ATOM 1641 O ARG A 105 -3.614 -2.232 -6.634 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.578 -3.243 -9.427 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.925 -2.601 -9.776 1.00 0.00 C ATOM 1644 CD ARG A 105 -6.022 -2.274 -11.267 1.00 0.00 C ATOM 1645 NE ARG A 105 -7.193 -1.438 -11.551 1.00 0.00 N ATOM 1646 CZ ARG A 105 -8.484 -1.736 -11.367 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -8.892 -2.953 -11.012 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -9.358 -0.761 -11.545 1.00 0.00 N ATOM 0 H ARG A 105 -2.070 -3.404 -8.049 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.458 -1.445 -9.761 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.218 -3.804 -10.290 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.725 -3.960 -8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.734 -3.276 -9.497 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.056 -1.689 -9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -5.117 -1.758 -11.589 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -6.084 -3.198 -11.842 1.00 0.00 H new ATOM 0 HE ARG A 105 -6.999 -0.514 -11.937 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -8.210 -3.698 -10.870 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.886 -3.140 -10.882 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.037 0.170 -11.811 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.354 -0.939 -11.416 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.470 -0.451 -7.664 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.962 0.211 -6.468 1.00 0.00 C ATOM 1664 C ALA A 106 -6.488 0.082 -6.425 1.00 0.00 C ATOM 1665 O ALA A 106 -7.139 0.005 -7.470 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.501 1.671 -6.514 1.00 0.00 C ATOM 0 H ALA A 106 -4.632 0.084 -8.517 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.569 -0.244 -5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.857 2.193 -5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.412 1.708 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.905 2.152 -7.405 1.00 0.00 H new ATOM 1672 N VAL A 107 -7.067 0.104 -5.228 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.513 0.155 -5.010 1.00 0.00 C ATOM 1674 C VAL A 107 -8.875 1.606 -4.670 1.00 0.00 C ATOM 1675 O VAL A 107 -8.361 2.125 -3.684 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.915 -0.819 -3.890 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.438 -0.942 -3.837 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.339 -2.228 -4.091 1.00 0.00 C ATOM 0 H VAL A 107 -6.532 0.086 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.059 -0.154 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.511 -0.409 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.720 -1.633 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.875 0.037 -3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.806 -1.318 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.656 -2.871 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.701 -2.638 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.250 -2.176 -4.112 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.685 2.305 -5.476 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.004 3.704 -5.260 1.00 0.00 C ATOM 1690 C PRO A 108 -11.174 3.932 -4.300 1.00 0.00 C ATOM 1691 O PRO A 108 -12.346 3.831 -4.669 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.303 4.253 -6.639 1.00 0.00 C ATOM 1693 CG PRO A 108 -10.930 3.047 -7.357 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.331 1.821 -6.680 1.00 0.00 C ATOM 0 HA PRO A 108 -9.171 4.212 -4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -10.988 5.100 -6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.399 4.598 -7.142 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.016 3.056 -7.265 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.700 3.060 -8.422 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.104 1.090 -6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.615 1.325 -7.335 1.00 0.00 H new ATOM 1702 N SER A 109 -10.844 4.274 -3.064 1.00 0.00 N ATOM 1703 CA SER A 109 -11.808 4.399 -1.969 1.00 0.00 C ATOM 1704 C SER A 109 -12.602 5.710 -2.069 1.00 0.00 C ATOM 1705 O SER A 109 -13.754 5.798 -1.639 1.00 0.00 O ATOM 1706 CB SER A 109 -11.035 4.308 -0.643 1.00 0.00 C ATOM 1707 OG SER A 109 -11.899 4.101 0.460 1.00 0.00 O ATOM 0 H SER A 109 -9.884 4.477 -2.784 1.00 0.00 H new ATOM 0 HA SER A 109 -12.540 3.593 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.315 3.492 -0.698 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.466 5.225 -0.491 1.00 0.00 H new ATOM 0 HG SER A 109 -11.833 3.169 0.757 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.989 6.747 -2.635 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.396 8.145 -2.594 1.00 0.00 C ATOM 1715 C GLY A 110 -11.141 9.022 -2.454 1.00 0.00 C ATOM 1716 O GLY A 110 -10.046 8.476 -2.334 1.00 0.00 O ATOM 0 H GLY A 110 -11.132 6.620 -3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.940 8.407 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.072 8.317 -1.756 1.00 0.00 H new