USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1060 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 74 SER OG : rot -114:sc= 1.22 USER MOD Set 1.2: A 107 TYR OH : rot 180:sc= -1.96! USER MOD Set 2.1: A 94 SER OG : rot 180:sc= -0.036 USER MOD Set 2.2: A 95 ASN : amide:sc= 0 K(o=-0.036,f=-1.4!) USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 HIS : no HE2:sc= -0.382 K(o=-0.38,f=-0.96) USER MOD Set 3.3: A 132 THR OG1 : rot 50:sc= 0 USER MOD Set 4.1: A 46 THR OG1 : rot 160:sc= -1.23 USER MOD Set 4.2: A 47 THR OG1 : rot 180:sc= -1.13! USER MOD Set 4.3: A 50 ASN : amide:sc= -1.68! K(o=-4!,f=0.25) USER MOD Set 5.1: A 33 TYR OH : rot 0:sc= -0.545 USER MOD Set 5.2: A 38 LYS NZ :NH3+ -179:sc= 0.353 (180deg=0) USER MOD Set 6.1: A 31 ASN : amide:sc= -2.21! C(o=-1.3!,f=-2.4!) USER MOD Set 6.2: A 98 TYR OH : rot 18:sc= 0.869 USER MOD Set 7.1: A 27 MET CE :methyl 169:sc= -0.177 (180deg=-0.239) USER MOD Set 7.2: A 41 ASN : amide:sc= -12! C(o=-12!,f=-8.4!) USER MOD Single : A 4 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.67) USER MOD Single : A 6 THR OG1 : rot -111:sc= -1.1 USER MOD Single : A 9 GLN : amide:sc= -4.4 K(o=-4.4,f=-0.91) USER MOD Single : A 14 GLN : amide:sc=-0.000523 X(o=-0.00052,f=-0.00052) USER MOD Single : A 15 HIS : no HD1:sc= -3.09! K(o=-3.1!,f=-0.28) USER MOD Single : A 17 SER OG : rot -169:sc= -0.195 USER MOD Single : A 19 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.041) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.034) USER MOD Single : A 39 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.1) USER MOD Single : A 40 GLN : amide:sc= -0.195 K(o=-0.19,f=-2.2!) USER MOD Single : A 53 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.18) USER MOD Single : A 57 ASN : amide:sc= -1.72! K(o=-1.7!,f=-3) USER MOD Single : A 58 GLN : amide:sc= -0.66 X(o=-0.66,f=-0.55) USER MOD Single : A 59 SER OG : rot -91:sc= 0.0847 USER MOD Single : A 64 HIS : no HD1:sc=-0.000296 X(o=-0.0003,f=-0.032) USER MOD Single : A 65 ASN : amide:sc= -4.08! C(o=-4.1!,f=-5.8!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -5.3! C(o=-5.3!,f=-12!) USER MOD Single : A 70 ASN : amide:sc= -0.0204 K(o=-0.02,f=-2.4!) USER MOD Single : A 72 HIS : no HE2:sc= -10.5! C(o=-11!,f=-10!) USER MOD Single : A 87 ASN : amide:sc= -8.26! C(o=-8.3!,f=-11!) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 92 ASN : amide:sc=-0.00712 X(o=-0.0071,f=-0.036) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 119 SER OG : rot -69:sc= 0.239 USER MOD Single : A 122 TYR OH : rot 180:sc=-0.00805 USER MOD Single : A 128 HIS : no HE2:sc= -4.59! C(o=-4.6!,f=-3.8!) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.114 USER MOD ----------------------------------------------------------------- ATOM 25 N PRO A 2 7.367 -12.283 -2.594 1.00 51.41 N ATOM 26 CA PRO A 2 8.045 -13.258 -3.452 1.00 20.44 C ATOM 27 C PRO A 2 8.966 -12.595 -4.471 1.00 32.40 C ATOM 28 O PRO A 2 8.951 -11.378 -4.656 1.00 73.14 O ATOM 29 CB PRO A 2 6.890 -13.971 -4.160 1.00 21.22 C ATOM 30 CG PRO A 2 5.773 -12.985 -4.150 1.00 42.22 C ATOM 31 CD PRO A 2 5.924 -12.202 -2.876 1.00 54.41 C ATOM 0 HA PRO A 2 8.690 -13.925 -2.879 1.00 20.44 H new ATOM 0 HB2 PRO A 2 7.162 -14.251 -5.178 1.00 21.22 H new ATOM 0 HB3 PRO A 2 6.613 -14.888 -3.640 1.00 21.22 H new ATOM 0 HG2 PRO A 2 5.823 -12.329 -5.019 1.00 42.22 H new ATOM 0 HG3 PRO A 2 4.807 -13.489 -4.186 1.00 42.22 H new ATOM 0 HD2 PRO A 2 5.596 -11.170 -2.998 1.00 54.41 H new ATOM 0 HD3 PRO A 2 5.332 -12.632 -2.068 1.00 54.41 H new ATOM 39 N PRO A 3 9.786 -13.411 -5.148 1.00 71.31 N ATOM 40 CA PRO A 3 10.728 -12.925 -6.161 1.00 13.45 C ATOM 41 C PRO A 3 10.023 -12.429 -7.419 1.00 32.44 C ATOM 42 O PRO A 3 10.600 -11.688 -8.213 1.00 15.41 O ATOM 43 CB PRO A 3 11.579 -14.157 -6.475 1.00 22.42 C ATOM 44 CG PRO A 3 10.706 -15.316 -6.138 1.00 21.24 C ATOM 45 CD PRO A 3 9.857 -14.873 -4.978 1.00 40.24 C ATOM 0 HA PRO A 3 11.305 -12.072 -5.804 1.00 13.45 H new ATOM 0 HB2 PRO A 3 11.876 -14.176 -7.524 1.00 22.42 H new ATOM 0 HB3 PRO A 3 12.495 -14.166 -5.884 1.00 22.42 H new ATOM 0 HG2 PRO A 3 10.087 -15.598 -6.989 1.00 21.24 H new ATOM 0 HG3 PRO A 3 11.302 -16.190 -5.874 1.00 21.24 H new ATOM 0 HD2 PRO A 3 8.868 -15.330 -5.006 1.00 40.24 H new ATOM 0 HD3 PRO A 3 10.307 -15.145 -4.023 1.00 40.24 H new ATOM 53 N GLN A 4 8.772 -12.846 -7.592 1.00 65.25 N ATOM 54 CA GLN A 4 7.989 -12.444 -8.756 1.00 1.33 C ATOM 55 C GLN A 4 7.608 -10.970 -8.672 1.00 12.04 C ATOM 56 O GLN A 4 7.432 -10.305 -9.693 1.00 11.40 O ATOM 57 CB GLN A 4 6.729 -13.303 -8.869 1.00 75.10 C ATOM 58 CG GLN A 4 6.194 -13.415 -10.288 1.00 1.10 C ATOM 59 CD GLN A 4 7.288 -13.683 -11.304 1.00 13.13 C ATOM 60 OE1 GLN A 4 7.748 -12.772 -11.991 1.00 50.12 O ATOM 61 NE2 GLN A 4 7.710 -14.938 -11.403 1.00 62.21 N ATOM 0 H GLN A 4 8.280 -13.460 -6.943 1.00 65.25 H new ATOM 0 HA GLN A 4 8.602 -12.592 -9.645 1.00 1.33 H new ATOM 0 HB2 GLN A 4 6.946 -14.302 -8.491 1.00 75.10 H new ATOM 0 HB3 GLN A 4 5.953 -12.882 -8.229 1.00 75.10 H new ATOM 0 HG2 GLN A 4 5.457 -14.217 -10.332 1.00 1.10 H new ATOM 0 HG3 GLN A 4 5.677 -12.492 -10.551 1.00 1.10 H new ATOM 0 HE21 GLN A 4 7.300 -15.662 -10.813 1.00 62.21 H new ATOM 0 HE22 GLN A 4 8.444 -15.178 -12.069 1.00 62.21 H new ATOM 70 N PHE A 5 7.481 -10.465 -7.449 1.00 53.33 N ATOM 71 CA PHE A 5 7.119 -9.069 -7.232 1.00 53.23 C ATOM 72 C PHE A 5 8.154 -8.368 -6.357 1.00 63.41 C ATOM 73 O PHE A 5 8.438 -8.804 -5.241 1.00 44.22 O ATOM 74 CB PHE A 5 5.736 -8.974 -6.583 1.00 4.41 C ATOM 75 CG PHE A 5 4.714 -9.874 -7.214 1.00 74.02 C ATOM 76 CD1 PHE A 5 4.455 -9.803 -8.574 1.00 42.13 C ATOM 77 CD2 PHE A 5 4.012 -10.791 -6.450 1.00 31.01 C ATOM 78 CE1 PHE A 5 3.513 -10.629 -9.158 1.00 2.12 C ATOM 79 CE2 PHE A 5 3.069 -11.620 -7.028 1.00 62.02 C ATOM 80 CZ PHE A 5 2.821 -11.540 -8.384 1.00 40.10 C ATOM 0 H PHE A 5 7.623 -11.002 -6.593 1.00 53.33 H new ATOM 0 HA PHE A 5 7.093 -8.571 -8.201 1.00 53.23 H new ATOM 0 HB2 PHE A 5 5.822 -9.222 -5.525 1.00 4.41 H new ATOM 0 HB3 PHE A 5 5.386 -7.943 -6.642 1.00 4.41 H new ATOM 0 HD1 PHE A 5 4.995 -9.094 -9.184 1.00 42.13 H new ATOM 0 HD2 PHE A 5 4.204 -10.859 -5.389 1.00 31.01 H new ATOM 0 HE1 PHE A 5 3.318 -10.562 -10.218 1.00 2.12 H new ATOM 0 HE2 PHE A 5 2.527 -12.329 -6.420 1.00 62.02 H new ATOM 0 HZ PHE A 5 2.087 -12.189 -8.839 1.00 40.10 H new ATOM 90 N THR A 6 8.716 -7.279 -6.873 1.00 25.54 N ATOM 91 CA THR A 6 9.721 -6.519 -6.141 1.00 41.33 C ATOM 92 C THR A 6 9.150 -5.962 -4.842 1.00 42.44 C ATOM 93 O THR A 6 8.011 -6.252 -4.478 1.00 61.34 O ATOM 94 CB THR A 6 10.272 -5.355 -6.987 1.00 32.11 C ATOM 95 OG1 THR A 6 9.247 -4.849 -7.850 1.00 11.32 O ATOM 96 CG2 THR A 6 11.463 -5.808 -7.819 1.00 11.44 C ATOM 0 H THR A 6 8.492 -6.904 -7.795 1.00 25.54 H new ATOM 0 HA THR A 6 10.534 -7.208 -5.912 1.00 41.33 H new ATOM 0 HB THR A 6 10.600 -4.566 -6.310 1.00 32.11 H new ATOM 0 HG1 THR A 6 9.464 -5.070 -8.780 1.00 11.32 H new ATOM 0 HG21 THR A 6 11.835 -4.970 -8.408 1.00 11.44 H new ATOM 0 HG22 THR A 6 12.253 -6.167 -7.159 1.00 11.44 H new ATOM 0 HG23 THR A 6 11.155 -6.612 -8.487 1.00 11.44 H new ATOM 104 N ARG A 7 9.949 -5.158 -4.146 1.00 65.35 N ATOM 105 CA ARG A 7 9.523 -4.560 -2.887 1.00 23.50 C ATOM 106 C ARG A 7 8.533 -3.426 -3.132 1.00 51.44 C ATOM 107 O ARG A 7 7.616 -3.207 -2.341 1.00 40.31 O ATOM 108 CB ARG A 7 10.732 -4.037 -2.110 1.00 64.53 C ATOM 109 CG ARG A 7 11.519 -5.128 -1.401 1.00 72.51 C ATOM 110 CD ARG A 7 12.886 -4.631 -0.959 1.00 14.22 C ATOM 111 NE ARG A 7 13.351 -5.311 0.247 1.00 53.11 N ATOM 112 CZ ARG A 7 14.633 -5.427 0.577 1.00 35.41 C ATOM 113 NH1 ARG A 7 15.572 -4.911 -0.204 1.00 55.03 N ATOM 114 NH2 ARG A 7 14.977 -6.059 1.692 1.00 24.52 N ATOM 0 H ARG A 7 10.895 -4.906 -4.434 1.00 65.35 H new ATOM 0 HA ARG A 7 9.028 -5.331 -2.297 1.00 23.50 H new ATOM 0 HB2 ARG A 7 11.395 -3.511 -2.797 1.00 64.53 H new ATOM 0 HB3 ARG A 7 10.393 -3.309 -1.374 1.00 64.53 H new ATOM 0 HG2 ARG A 7 10.959 -5.476 -0.533 1.00 72.51 H new ATOM 0 HG3 ARG A 7 11.639 -5.983 -2.067 1.00 72.51 H new ATOM 0 HD2 ARG A 7 13.606 -4.786 -1.763 1.00 14.22 H new ATOM 0 HD3 ARG A 7 12.840 -3.558 -0.775 1.00 14.22 H new ATOM 0 HE ARG A 7 12.654 -5.719 0.870 1.00 53.11 H new ATOM 0 HH11 ARG A 7 15.311 -4.423 -1.061 1.00 55.03 H new ATOM 0 HH12 ARG A 7 16.555 -5.002 0.052 1.00 55.03 H new ATOM 0 HH21 ARG A 7 14.257 -6.456 2.296 1.00 24.52 H new ATOM 0 HH22 ARG A 7 15.961 -6.148 1.945 1.00 24.52 H new ATOM 128 N ALA A 8 8.726 -2.706 -4.233 1.00 0.22 N ATOM 129 CA ALA A 8 7.849 -1.594 -4.582 1.00 62.30 C ATOM 130 C ALA A 8 6.669 -2.069 -5.423 1.00 44.44 C ATOM 131 O ALA A 8 5.518 -1.984 -4.996 1.00 42.12 O ATOM 132 CB ALA A 8 8.631 -0.520 -5.324 1.00 55.10 C ATOM 0 H ALA A 8 9.481 -2.873 -4.898 1.00 0.22 H new ATOM 0 HA ALA A 8 7.455 -1.169 -3.659 1.00 62.30 H new ATOM 0 HB1 ALA A 8 7.965 0.304 -5.579 1.00 55.10 H new ATOM 0 HB2 ALA A 8 9.437 -0.152 -4.689 1.00 55.10 H new ATOM 0 HB3 ALA A 8 9.052 -0.942 -6.237 1.00 55.10 H new ATOM 138 N GLN A 9 6.964 -2.569 -6.619 1.00 50.35 N ATOM 139 CA GLN A 9 5.926 -3.055 -7.520 1.00 12.11 C ATOM 140 C GLN A 9 4.937 -3.949 -6.779 1.00 1.12 C ATOM 141 O GLN A 9 3.766 -4.035 -7.147 1.00 62.42 O ATOM 142 CB GLN A 9 6.551 -3.822 -8.686 1.00 20.53 C ATOM 143 CG GLN A 9 6.587 -5.328 -8.474 1.00 15.43 C ATOM 144 CD GLN A 9 5.391 -6.031 -9.087 1.00 22.05 C ATOM 145 OE1 GLN A 9 5.293 -6.165 -10.306 1.00 3.10 O ATOM 146 NE2 GLN A 9 4.474 -6.486 -8.240 1.00 63.41 N ATOM 0 H GLN A 9 7.912 -2.648 -6.986 1.00 50.35 H new ATOM 0 HA GLN A 9 5.386 -2.192 -7.910 1.00 12.11 H new ATOM 0 HB2 GLN A 9 5.990 -3.605 -9.595 1.00 20.53 H new ATOM 0 HB3 GLN A 9 7.567 -3.461 -8.844 1.00 20.53 H new ATOM 0 HG2 GLN A 9 7.502 -5.731 -8.908 1.00 15.43 H new ATOM 0 HG3 GLN A 9 6.620 -5.540 -7.405 1.00 15.43 H new ATOM 0 HE21 GLN A 9 4.596 -6.353 -7.236 1.00 63.41 H new ATOM 0 HE22 GLN A 9 3.648 -6.969 -8.594 1.00 63.41 H new ATOM 155 N TRP A 10 5.417 -4.613 -5.733 1.00 2.12 N ATOM 156 CA TRP A 10 4.576 -5.502 -4.940 1.00 14.11 C ATOM 157 C TRP A 10 3.805 -4.721 -3.882 1.00 74.13 C ATOM 158 O TRP A 10 2.723 -5.130 -3.459 1.00 31.23 O ATOM 159 CB TRP A 10 5.426 -6.584 -4.274 1.00 3.24 C ATOM 160 CG TRP A 10 4.613 -7.661 -3.621 1.00 2.11 C ATOM 161 CD1 TRP A 10 4.744 -8.125 -2.343 1.00 33.00 C ATOM 162 CD2 TRP A 10 3.546 -8.408 -4.214 1.00 62.54 C ATOM 163 NE1 TRP A 10 3.822 -9.116 -2.107 1.00 31.04 N ATOM 164 CE2 TRP A 10 3.074 -9.308 -3.239 1.00 2.42 C ATOM 165 CE3 TRP A 10 2.942 -8.404 -5.475 1.00 52.11 C ATOM 166 CZ2 TRP A 10 2.029 -10.194 -3.487 1.00 15.31 C ATOM 167 CZ3 TRP A 10 1.905 -9.284 -5.719 1.00 54.03 C ATOM 168 CH2 TRP A 10 1.456 -10.168 -4.729 1.00 43.52 C ATOM 0 H TRP A 10 6.384 -4.552 -5.415 1.00 2.12 H new ATOM 0 HA TRP A 10 3.859 -5.976 -5.610 1.00 14.11 H new ATOM 0 HB2 TRP A 10 6.079 -7.034 -5.022 1.00 3.24 H new ATOM 0 HB3 TRP A 10 6.070 -6.121 -3.526 1.00 3.24 H new ATOM 0 HD1 TRP A 10 5.466 -7.766 -1.624 1.00 33.00 H new ATOM 0 HE1 TRP A 10 3.712 -9.626 -1.231 1.00 31.04 H new ATOM 0 HE3 TRP A 10 3.280 -7.725 -6.244 1.00 52.11 H new ATOM 0 HZ2 TRP A 10 1.683 -10.878 -2.726 1.00 15.31 H new ATOM 0 HZ3 TRP A 10 1.432 -9.291 -6.690 1.00 54.03 H new ATOM 0 HH2 TRP A 10 0.642 -10.842 -4.951 1.00 43.52 H new ATOM 179 N PHE A 11 4.367 -3.593 -3.458 1.00 20.54 N ATOM 180 CA PHE A 11 3.732 -2.756 -2.447 1.00 44.20 C ATOM 181 C PHE A 11 2.416 -2.183 -2.965 1.00 32.11 C ATOM 182 O PHE A 11 1.380 -2.290 -2.310 1.00 21.23 O ATOM 183 CB PHE A 11 4.669 -1.618 -2.035 1.00 63.51 C ATOM 184 CG PHE A 11 3.948 -0.377 -1.595 1.00 20.13 C ATOM 185 CD1 PHE A 11 3.433 0.509 -2.528 1.00 43.30 C ATOM 186 CD2 PHE A 11 3.784 -0.096 -0.249 1.00 13.14 C ATOM 187 CE1 PHE A 11 2.770 1.653 -2.126 1.00 31.12 C ATOM 188 CE2 PHE A 11 3.120 1.047 0.161 1.00 64.42 C ATOM 189 CZ PHE A 11 2.612 1.921 -0.780 1.00 63.11 C ATOM 0 H PHE A 11 5.260 -3.238 -3.799 1.00 20.54 H new ATOM 0 HA PHE A 11 3.521 -3.377 -1.577 1.00 44.20 H new ATOM 0 HB2 PHE A 11 5.311 -1.962 -1.224 1.00 63.51 H new ATOM 0 HB3 PHE A 11 5.320 -1.372 -2.874 1.00 63.51 H new ATOM 0 HD1 PHE A 11 3.551 0.303 -3.582 1.00 43.30 H new ATOM 0 HD2 PHE A 11 4.179 -0.777 0.490 1.00 13.14 H new ATOM 0 HE1 PHE A 11 2.376 2.337 -2.863 1.00 31.12 H new ATOM 0 HE2 PHE A 11 2.999 1.255 1.214 1.00 64.42 H new ATOM 0 HZ PHE A 11 2.092 2.813 -0.464 1.00 63.11 H new ATOM 199 N ALA A 12 2.467 -1.573 -4.145 1.00 34.33 N ATOM 200 CA ALA A 12 1.279 -0.985 -4.752 1.00 12.03 C ATOM 201 C ALA A 12 0.258 -2.058 -5.114 1.00 60.42 C ATOM 202 O ALA A 12 -0.944 -1.795 -5.158 1.00 11.34 O ATOM 203 CB ALA A 12 1.661 -0.179 -5.984 1.00 12.32 C ATOM 0 H ALA A 12 3.318 -1.473 -4.699 1.00 34.33 H new ATOM 0 HA ALA A 12 0.821 -0.318 -4.022 1.00 12.03 H new ATOM 0 HB1 ALA A 12 0.765 0.255 -6.428 1.00 12.32 H new ATOM 0 HB2 ALA A 12 2.347 0.619 -5.699 1.00 12.32 H new ATOM 0 HB3 ALA A 12 2.146 -0.832 -6.710 1.00 12.32 H new ATOM 209 N ILE A 13 0.745 -3.267 -5.374 1.00 74.25 N ATOM 210 CA ILE A 13 -0.126 -4.379 -5.733 1.00 14.33 C ATOM 211 C ILE A 13 -1.247 -4.551 -4.714 1.00 12.25 C ATOM 212 O ILE A 13 -2.405 -4.756 -5.078 1.00 3.24 O ATOM 213 CB ILE A 13 0.661 -5.698 -5.840 1.00 60.45 C ATOM 214 CG1 ILE A 13 1.172 -5.897 -7.269 1.00 60.20 C ATOM 215 CG2 ILE A 13 -0.210 -6.871 -5.415 1.00 53.14 C ATOM 216 CD1 ILE A 13 0.236 -6.707 -8.138 1.00 63.02 C ATOM 0 H ILE A 13 1.737 -3.501 -5.343 1.00 74.25 H new ATOM 0 HA ILE A 13 -0.556 -4.141 -6.706 1.00 14.33 H new ATOM 0 HB ILE A 13 1.520 -5.647 -5.170 1.00 60.45 H new ATOM 0 HG12 ILE A 13 1.329 -4.921 -7.729 1.00 60.20 H new ATOM 0 HG13 ILE A 13 2.142 -6.393 -7.234 1.00 60.20 H new ATOM 0 HG21 ILE A 13 0.361 -7.796 -5.496 1.00 53.14 H new ATOM 0 HG22 ILE A 13 -0.530 -6.731 -4.382 1.00 53.14 H new ATOM 0 HG23 ILE A 13 -1.086 -6.927 -6.062 1.00 53.14 H new ATOM 0 HD11 ILE A 13 0.662 -6.808 -9.136 1.00 63.02 H new ATOM 0 HD12 ILE A 13 0.098 -7.696 -7.701 1.00 63.02 H new ATOM 0 HD13 ILE A 13 -0.728 -6.202 -8.204 1.00 63.02 H new ATOM 228 N GLN A 14 -0.894 -4.464 -3.435 1.00 13.31 N ATOM 229 CA GLN A 14 -1.871 -4.609 -2.362 1.00 12.23 C ATOM 230 C GLN A 14 -2.218 -3.253 -1.755 1.00 0.15 C ATOM 231 O GLN A 14 -3.321 -3.054 -1.243 1.00 41.23 O ATOM 232 CB GLN A 14 -1.335 -5.545 -1.277 1.00 43.11 C ATOM 233 CG GLN A 14 -0.284 -4.903 -0.385 1.00 64.13 C ATOM 234 CD GLN A 14 0.531 -5.924 0.384 1.00 71.23 C ATOM 235 OE1 GLN A 14 0.135 -6.367 1.462 1.00 1.31 O ATOM 236 NE2 GLN A 14 1.677 -6.304 -0.169 1.00 1.51 N ATOM 0 H GLN A 14 0.060 -4.294 -3.117 1.00 13.31 H new ATOM 0 HA GLN A 14 -2.778 -5.040 -2.787 1.00 12.23 H new ATOM 0 HB2 GLN A 14 -2.166 -5.885 -0.659 1.00 43.11 H new ATOM 0 HB3 GLN A 14 -0.907 -6.429 -1.750 1.00 43.11 H new ATOM 0 HG2 GLN A 14 0.384 -4.296 -0.996 1.00 64.13 H new ATOM 0 HG3 GLN A 14 -0.773 -4.229 0.319 1.00 64.13 H new ATOM 0 HE21 GLN A 14 1.966 -5.911 -1.064 1.00 1.51 H new ATOM 0 HE22 GLN A 14 2.268 -6.989 0.302 1.00 1.51 H new ATOM 245 N HIS A 15 -1.269 -2.324 -1.812 1.00 72.55 N ATOM 246 CA HIS A 15 -1.474 -0.987 -1.268 1.00 62.03 C ATOM 247 C HIS A 15 -2.048 -0.051 -2.328 1.00 33.11 C ATOM 248 O HIS A 15 -2.393 1.094 -2.036 1.00 55.32 O ATOM 249 CB HIS A 15 -0.157 -0.423 -0.734 1.00 42.20 C ATOM 250 CG HIS A 15 0.332 -1.112 0.502 1.00 51.00 C ATOM 251 ND1 HIS A 15 -0.406 -1.185 1.665 1.00 1.53 N ATOM 252 CD2 HIS A 15 1.492 -1.764 0.753 1.00 70.25 C ATOM 253 CE1 HIS A 15 0.280 -1.850 2.578 1.00 61.23 C ATOM 254 NE2 HIS A 15 1.434 -2.213 2.050 1.00 61.10 N ATOM 0 H HIS A 15 -0.350 -2.473 -2.230 1.00 72.55 H new ATOM 0 HA HIS A 15 -2.188 -1.061 -0.448 1.00 62.03 H new ATOM 0 HB2 HIS A 15 0.604 -0.503 -1.510 1.00 42.20 H new ATOM 0 HB3 HIS A 15 -0.285 0.638 -0.522 1.00 42.20 H new ATOM 0 HD2 HIS A 15 2.310 -1.905 0.062 1.00 70.25 H new ATOM 0 HE1 HIS A 15 -0.048 -2.061 3.585 1.00 61.23 H new ATOM 0 HE2 HIS A 15 2.164 -2.741 2.528 1.00 61.10 H new ATOM 263 N ILE A 16 -2.148 -0.547 -3.556 1.00 71.20 N ATOM 264 CA ILE A 16 -2.682 0.245 -4.658 1.00 42.11 C ATOM 265 C ILE A 16 -3.565 -0.603 -5.567 1.00 41.11 C ATOM 266 O ILE A 16 -3.113 -1.594 -6.140 1.00 71.41 O ATOM 267 CB ILE A 16 -1.553 0.873 -5.497 1.00 71.22 C ATOM 268 CG1 ILE A 16 -1.269 2.300 -5.022 1.00 62.15 C ATOM 269 CG2 ILE A 16 -1.923 0.864 -6.973 1.00 11.01 C ATOM 270 CD1 ILE A 16 -0.254 2.373 -3.903 1.00 61.30 C ATOM 0 H ILE A 16 -1.867 -1.493 -3.814 1.00 71.20 H new ATOM 0 HA ILE A 16 -3.280 1.041 -4.215 1.00 42.11 H new ATOM 0 HB ILE A 16 -0.648 0.279 -5.365 1.00 71.22 H new ATOM 0 HG12 ILE A 16 -0.911 2.891 -5.865 1.00 62.15 H new ATOM 0 HG13 ILE A 16 -2.201 2.755 -4.687 1.00 62.15 H new ATOM 0 HG21 ILE A 16 -1.116 1.311 -7.553 1.00 11.01 H new ATOM 0 HG22 ILE A 16 -2.081 -0.163 -7.302 1.00 11.01 H new ATOM 0 HG23 ILE A 16 -2.838 1.438 -7.122 1.00 11.01 H new ATOM 0 HD11 ILE A 16 -0.102 3.414 -3.617 1.00 61.30 H new ATOM 0 HD12 ILE A 16 -0.619 1.810 -3.044 1.00 61.30 H new ATOM 0 HD13 ILE A 16 0.691 1.948 -4.241 1.00 61.30 H new ATOM 282 N SER A 17 -4.826 -0.205 -5.696 1.00 12.11 N ATOM 283 CA SER A 17 -5.775 -0.929 -6.534 1.00 22.21 C ATOM 284 C SER A 17 -6.836 0.013 -7.093 1.00 60.31 C ATOM 285 O SER A 17 -7.616 0.602 -6.344 1.00 52.32 O ATOM 286 CB SER A 17 -6.442 -2.050 -5.736 1.00 4.25 C ATOM 287 OG SER A 17 -5.491 -3.013 -5.315 1.00 44.13 O ATOM 0 H SER A 17 -5.215 0.615 -5.231 1.00 12.11 H new ATOM 0 HA SER A 17 -5.225 -1.365 -7.368 1.00 22.21 H new ATOM 0 HB2 SER A 17 -6.948 -1.630 -4.867 1.00 4.25 H new ATOM 0 HB3 SER A 17 -7.205 -2.531 -6.348 1.00 4.25 H new ATOM 0 HG SER A 17 -5.956 -3.800 -4.962 1.00 44.13 H new ATOM 293 N LEU A 18 -6.859 0.150 -8.415 1.00 13.24 N ATOM 294 CA LEU A 18 -7.825 1.022 -9.076 1.00 25.02 C ATOM 295 C LEU A 18 -9.252 0.552 -8.813 1.00 22.33 C ATOM 296 O LEU A 18 -10.091 1.316 -8.338 1.00 43.21 O ATOM 297 CB LEU A 18 -7.557 1.061 -10.582 1.00 14.12 C ATOM 298 CG LEU A 18 -6.104 0.862 -11.011 1.00 24.44 C ATOM 299 CD1 LEU A 18 -5.940 1.155 -12.494 1.00 43.21 C ATOM 300 CD2 LEU A 18 -5.178 1.744 -10.185 1.00 22.42 C ATOM 0 H LEU A 18 -6.221 -0.331 -9.049 1.00 13.24 H new ATOM 0 HA LEU A 18 -7.713 2.026 -8.667 1.00 25.02 H new ATOM 0 HB2 LEU A 18 -8.164 0.291 -11.059 1.00 14.12 H new ATOM 0 HB3 LEU A 18 -7.900 2.021 -10.967 1.00 14.12 H new ATOM 0 HG LEU A 18 -5.833 -0.179 -10.836 1.00 24.44 H new ATOM 0 HD11 LEU A 18 -4.899 1.008 -12.781 1.00 43.21 H new ATOM 0 HD12 LEU A 18 -6.574 0.481 -13.070 1.00 43.21 H new ATOM 0 HD13 LEU A 18 -6.230 2.186 -12.695 1.00 43.21 H new ATOM 0 HD21 LEU A 18 -4.147 1.589 -10.504 1.00 22.42 H new ATOM 0 HD22 LEU A 18 -5.449 2.790 -10.328 1.00 22.42 H new ATOM 0 HD23 LEU A 18 -5.274 1.485 -9.131 1.00 22.42 H new ATOM 312 N ASN A 19 -9.520 -0.713 -9.125 1.00 13.14 N ATOM 313 CA ASN A 19 -10.846 -1.286 -8.921 1.00 4.11 C ATOM 314 C ASN A 19 -10.750 -2.651 -8.247 1.00 62.44 C ATOM 315 O ASN A 19 -11.097 -3.682 -8.826 1.00 43.21 O ATOM 316 CB ASN A 19 -11.579 -1.413 -10.257 1.00 31.35 C ATOM 317 CG ASN A 19 -11.661 -0.095 -11.000 1.00 74.24 C ATOM 318 OD1 ASN A 19 -12.621 0.660 -10.845 1.00 1.20 O ATOM 319 ND2 ASN A 19 -10.651 0.190 -11.814 1.00 24.30 N ATOM 0 H ASN A 19 -8.837 -1.360 -9.520 1.00 13.14 H new ATOM 0 HA ASN A 19 -11.408 -0.618 -8.268 1.00 4.11 H new ATOM 0 HB2 ASN A 19 -11.068 -2.147 -10.880 1.00 31.35 H new ATOM 0 HB3 ASN A 19 -12.586 -1.791 -10.081 1.00 31.35 H new ATOM 0 HD21 ASN A 19 -10.651 1.064 -12.341 1.00 24.30 H new ATOM 0 HD22 ASN A 19 -9.875 -0.465 -11.912 1.00 24.30 H new ATOM 326 N PRO A 20 -10.269 -2.662 -6.995 1.00 31.00 N ATOM 327 CA PRO A 20 -10.118 -3.894 -6.215 1.00 72.41 C ATOM 328 C PRO A 20 -11.461 -4.491 -5.810 1.00 4.33 C ATOM 329 O PRO A 20 -12.379 -3.788 -5.387 1.00 53.43 O ATOM 330 CB PRO A 20 -9.340 -3.437 -4.979 1.00 71.12 C ATOM 331 CG PRO A 20 -9.659 -1.989 -4.843 1.00 71.24 C ATOM 332 CD PRO A 20 -9.837 -1.471 -6.245 1.00 5.13 C ATOM 0 HA PRO A 20 -9.619 -4.679 -6.783 1.00 72.41 H new ATOM 0 HB2 PRO A 20 -9.643 -3.994 -4.092 1.00 71.12 H new ATOM 0 HB3 PRO A 20 -8.269 -3.596 -5.104 1.00 71.12 H new ATOM 0 HG2 PRO A 20 -10.565 -1.842 -4.255 1.00 71.24 H new ATOM 0 HG3 PRO A 20 -8.857 -1.459 -4.330 1.00 71.24 H new ATOM 0 HD2 PRO A 20 -10.582 -0.676 -6.288 1.00 5.13 H new ATOM 0 HD3 PRO A 20 -8.909 -1.060 -6.643 1.00 5.13 H new ATOM 340 N PRO A 21 -11.581 -5.821 -5.938 1.00 40.14 N ATOM 341 CA PRO A 21 -12.809 -6.543 -5.589 1.00 44.42 C ATOM 342 C PRO A 21 -13.058 -6.568 -4.085 1.00 44.31 C ATOM 343 O PRO A 21 -12.492 -5.768 -3.339 1.00 72.41 O ATOM 344 CB PRO A 21 -12.548 -7.957 -6.112 1.00 34.43 C ATOM 345 CG PRO A 21 -11.066 -8.091 -6.122 1.00 25.21 C ATOM 346 CD PRO A 21 -10.528 -6.723 -6.435 1.00 41.12 C ATOM 0 HA PRO A 21 -13.695 -6.073 -6.016 1.00 44.42 H new ATOM 0 HB2 PRO A 21 -13.009 -8.708 -5.470 1.00 34.43 H new ATOM 0 HB3 PRO A 21 -12.964 -8.093 -7.110 1.00 34.43 H new ATOM 0 HG2 PRO A 21 -10.700 -8.443 -5.158 1.00 25.21 H new ATOM 0 HG3 PRO A 21 -10.745 -8.817 -6.869 1.00 25.21 H new ATOM 0 HD2 PRO A 21 -9.576 -6.542 -5.937 1.00 41.12 H new ATOM 0 HD3 PRO A 21 -10.358 -6.593 -7.504 1.00 41.12 H new ATOM 354 N ARG A 22 -13.908 -7.491 -3.646 1.00 65.02 N ATOM 355 CA ARG A 22 -14.232 -7.619 -2.230 1.00 44.33 C ATOM 356 C ARG A 22 -12.994 -7.996 -1.421 1.00 32.14 C ATOM 357 O ARG A 22 -12.330 -8.992 -1.709 1.00 34.34 O ATOM 358 CB ARG A 22 -15.325 -8.670 -2.029 1.00 53.42 C ATOM 359 CG ARG A 22 -16.651 -8.300 -2.674 1.00 54.11 C ATOM 360 CD ARG A 22 -17.345 -7.178 -1.918 1.00 2.14 C ATOM 361 NE ARG A 22 -18.712 -6.966 -2.386 1.00 42.22 N ATOM 362 CZ ARG A 22 -19.748 -7.694 -1.986 1.00 10.44 C ATOM 363 NH1 ARG A 22 -19.574 -8.677 -1.112 1.00 63.04 N ATOM 364 NH2 ARG A 22 -20.962 -7.440 -2.458 1.00 24.22 N ATOM 0 H ARG A 22 -14.384 -8.161 -4.250 1.00 65.02 H new ATOM 0 HA ARG A 22 -14.596 -6.654 -1.877 1.00 44.33 H new ATOM 0 HB2 ARG A 22 -14.984 -9.620 -2.439 1.00 53.42 H new ATOM 0 HB3 ARG A 22 -15.480 -8.821 -0.961 1.00 53.42 H new ATOM 0 HG2 ARG A 22 -16.482 -7.994 -3.706 1.00 54.11 H new ATOM 0 HG3 ARG A 22 -17.299 -9.176 -2.703 1.00 54.11 H new ATOM 0 HD2 ARG A 22 -17.359 -7.412 -0.854 1.00 2.14 H new ATOM 0 HD3 ARG A 22 -16.775 -6.256 -2.034 1.00 2.14 H new ATOM 0 HE ARG A 22 -18.880 -6.217 -3.058 1.00 42.22 H new ATOM 0 HH11 ARG A 22 -18.643 -8.875 -0.746 1.00 63.04 H new ATOM 0 HH12 ARG A 22 -20.371 -9.235 -0.806 1.00 63.04 H new ATOM 0 HH21 ARG A 22 -21.100 -6.685 -3.129 1.00 24.22 H new ATOM 0 HH22 ARG A 22 -21.757 -8.000 -2.150 1.00 24.22 H new ATOM 378 N CYS A 23 -12.689 -7.193 -0.408 1.00 52.43 N ATOM 379 CA CYS A 23 -11.532 -7.440 0.444 1.00 64.14 C ATOM 380 C CYS A 23 -11.321 -8.937 0.654 1.00 44.32 C ATOM 381 O CYS A 23 -10.196 -9.395 0.856 1.00 31.42 O ATOM 382 CB CYS A 23 -11.707 -6.744 1.794 1.00 1.30 C ATOM 383 SG CYS A 23 -12.047 -4.958 1.672 1.00 24.41 S ATOM 0 H CYS A 23 -13.228 -6.364 -0.157 1.00 52.43 H new ATOM 0 HA CYS A 23 -10.652 -7.033 -0.054 1.00 64.14 H new ATOM 0 HB2 CYS A 23 -12.524 -7.222 2.334 1.00 1.30 H new ATOM 0 HB3 CYS A 23 -10.804 -6.891 2.386 1.00 1.30 H new ATOM 388 N THR A 24 -12.412 -9.695 0.604 1.00 63.45 N ATOM 389 CA THR A 24 -12.348 -11.139 0.789 1.00 3.03 C ATOM 390 C THR A 24 -11.411 -11.783 -0.227 1.00 14.34 C ATOM 391 O THR A 24 -10.485 -12.508 0.140 1.00 14.43 O ATOM 392 CB THR A 24 -13.742 -11.784 0.666 1.00 42.04 C ATOM 393 OG1 THR A 24 -14.557 -11.401 1.779 1.00 31.52 O ATOM 394 CG2 THR A 24 -13.633 -13.300 0.607 1.00 71.30 C ATOM 0 H THR A 24 -13.351 -9.332 0.437 1.00 63.45 H new ATOM 0 HA THR A 24 -11.963 -11.312 1.794 1.00 3.03 H new ATOM 0 HB THR A 24 -14.202 -11.433 -0.258 1.00 42.04 H new ATOM 0 HG1 THR A 24 -15.442 -11.813 1.694 1.00 31.52 H new ATOM 0 HG21 THR A 24 -14.629 -13.733 0.520 1.00 71.30 H new ATOM 0 HG22 THR A 24 -13.035 -13.588 -0.258 1.00 71.30 H new ATOM 0 HG23 THR A 24 -13.156 -13.666 1.516 1.00 71.30 H new ATOM 402 N ILE A 25 -11.657 -11.515 -1.504 1.00 54.33 N ATOM 403 CA ILE A 25 -10.834 -12.067 -2.573 1.00 3.54 C ATOM 404 C ILE A 25 -9.723 -11.099 -2.968 1.00 0.21 C ATOM 405 O ILE A 25 -8.616 -11.513 -3.308 1.00 22.20 O ATOM 406 CB ILE A 25 -11.676 -12.399 -3.818 1.00 62.43 C ATOM 407 CG1 ILE A 25 -13.054 -12.919 -3.405 1.00 50.30 C ATOM 408 CG2 ILE A 25 -10.958 -13.422 -4.686 1.00 43.54 C ATOM 409 CD1 ILE A 25 -14.029 -13.029 -4.556 1.00 32.31 C ATOM 0 H ILE A 25 -12.420 -10.919 -1.824 1.00 54.33 H new ATOM 0 HA ILE A 25 -10.392 -12.986 -2.188 1.00 3.54 H new ATOM 0 HB ILE A 25 -11.811 -11.487 -4.400 1.00 62.43 H new ATOM 0 HG12 ILE A 25 -12.940 -13.899 -2.942 1.00 50.30 H new ATOM 0 HG13 ILE A 25 -13.472 -12.255 -2.648 1.00 50.30 H new ATOM 0 HG21 ILE A 25 -11.566 -13.646 -5.562 1.00 43.54 H new ATOM 0 HG22 ILE A 25 -9.997 -13.018 -5.005 1.00 43.54 H new ATOM 0 HG23 ILE A 25 -10.796 -14.335 -4.113 1.00 43.54 H new ATOM 0 HD11 ILE A 25 -14.984 -13.404 -4.189 1.00 32.31 H new ATOM 0 HD12 ILE A 25 -14.173 -12.047 -5.006 1.00 32.31 H new ATOM 0 HD13 ILE A 25 -13.633 -13.716 -5.304 1.00 32.31 H new ATOM 421 N ALA A 26 -10.028 -9.805 -2.918 1.00 22.42 N ATOM 422 CA ALA A 26 -9.055 -8.778 -3.268 1.00 11.15 C ATOM 423 C ALA A 26 -7.702 -9.060 -2.620 1.00 34.12 C ATOM 424 O ALA A 26 -6.673 -8.561 -3.071 1.00 43.22 O ATOM 425 CB ALA A 26 -9.565 -7.406 -2.852 1.00 1.11 C ATOM 0 H ALA A 26 -10.940 -9.445 -2.639 1.00 22.42 H new ATOM 0 HA ALA A 26 -8.921 -8.792 -4.350 1.00 11.15 H new ATOM 0 HB1 ALA A 26 -8.829 -6.648 -3.119 1.00 1.11 H new ATOM 0 HB2 ALA A 26 -10.504 -7.196 -3.364 1.00 1.11 H new ATOM 0 HB3 ALA A 26 -9.728 -7.390 -1.774 1.00 1.11 H new ATOM 431 N MET A 27 -7.714 -9.861 -1.561 1.00 35.14 N ATOM 432 CA MET A 27 -6.489 -10.210 -0.852 1.00 11.20 C ATOM 433 C MET A 27 -6.066 -11.641 -1.167 1.00 64.13 C ATOM 434 O MET A 27 -5.448 -12.312 -0.341 1.00 54.12 O ATOM 435 CB MET A 27 -6.681 -10.043 0.657 1.00 73.14 C ATOM 436 CG MET A 27 -7.090 -8.637 1.065 1.00 2.45 C ATOM 437 SD MET A 27 -6.500 -8.193 2.710 1.00 32.35 S ATOM 438 CE MET A 27 -4.755 -7.951 2.391 1.00 12.13 C ATOM 0 H MET A 27 -8.559 -10.281 -1.174 1.00 35.14 H new ATOM 0 HA MET A 27 -5.701 -9.535 -1.187 1.00 11.20 H new ATOM 0 HB2 MET A 27 -7.440 -10.747 0.999 1.00 73.14 H new ATOM 0 HB3 MET A 27 -5.752 -10.304 1.164 1.00 73.14 H new ATOM 0 HG2 MET A 27 -6.700 -7.924 0.339 1.00 2.45 H new ATOM 0 HG3 MET A 27 -8.177 -8.557 1.039 1.00 2.45 H new ATOM 0 HE1 MET A 27 -4.288 -7.486 3.259 1.00 12.13 H new ATOM 0 HE2 MET A 27 -4.283 -8.914 2.197 1.00 12.13 H new ATOM 0 HE3 MET A 27 -4.630 -7.305 1.522 1.00 12.13 H new ATOM 448 N ARG A 28 -6.404 -12.102 -2.367 1.00 60.25 N ATOM 449 CA ARG A 28 -6.060 -13.454 -2.790 1.00 73.13 C ATOM 450 C ARG A 28 -4.709 -13.475 -3.498 1.00 63.30 C ATOM 451 O ARG A 28 -3.847 -14.298 -3.189 1.00 13.22 O ATOM 452 CB ARG A 28 -7.142 -14.012 -3.717 1.00 72.01 C ATOM 453 CG ARG A 28 -7.354 -13.184 -4.974 1.00 13.13 C ATOM 454 CD ARG A 28 -6.477 -13.672 -6.116 1.00 23.32 C ATOM 455 NE ARG A 28 -6.111 -12.589 -7.026 1.00 22.14 N ATOM 456 CZ ARG A 28 -5.586 -12.788 -8.230 1.00 5.20 C ATOM 457 NH1 ARG A 28 -5.366 -14.020 -8.666 1.00 44.20 N ATOM 458 NH2 ARG A 28 -5.278 -11.751 -9.000 1.00 13.13 N ATOM 0 H ARG A 28 -6.915 -11.559 -3.063 1.00 60.25 H new ATOM 0 HA ARG A 28 -5.994 -14.080 -1.900 1.00 73.13 H new ATOM 0 HB2 ARG A 28 -6.874 -15.029 -4.003 1.00 72.01 H new ATOM 0 HB3 ARG A 28 -8.082 -14.072 -3.169 1.00 72.01 H new ATOM 0 HG2 ARG A 28 -8.402 -13.233 -5.271 1.00 13.13 H new ATOM 0 HG3 ARG A 28 -7.131 -12.138 -4.764 1.00 13.13 H new ATOM 0 HD2 ARG A 28 -5.573 -14.126 -5.710 1.00 23.32 H new ATOM 0 HD3 ARG A 28 -7.003 -14.449 -6.670 1.00 23.32 H new ATOM 0 HE ARG A 28 -6.267 -11.628 -6.720 1.00 22.14 H new ATOM 0 HH11 ARG A 28 -5.600 -14.819 -8.077 1.00 44.20 H new ATOM 0 HH12 ARG A 28 -4.963 -14.169 -9.591 1.00 44.20 H new ATOM 0 HH21 ARG A 28 -5.444 -10.801 -8.667 1.00 13.13 H new ATOM 0 HH22 ARG A 28 -4.875 -11.904 -9.924 1.00 13.13 H new ATOM 472 N ALA A 29 -4.532 -12.566 -4.451 1.00 53.15 N ATOM 473 CA ALA A 29 -3.286 -12.480 -5.202 1.00 42.23 C ATOM 474 C ALA A 29 -2.169 -11.891 -4.347 1.00 4.03 C ATOM 475 O ALA A 29 -0.997 -12.226 -4.524 1.00 72.43 O ATOM 476 CB ALA A 29 -3.484 -11.646 -6.460 1.00 43.12 C ATOM 0 H ALA A 29 -5.236 -11.879 -4.721 1.00 53.15 H new ATOM 0 HA ALA A 29 -2.994 -13.490 -5.490 1.00 42.23 H new ATOM 0 HB1 ALA A 29 -2.545 -11.590 -7.011 1.00 43.12 H new ATOM 0 HB2 ALA A 29 -4.246 -12.109 -7.087 1.00 43.12 H new ATOM 0 HB3 ALA A 29 -3.803 -10.641 -6.184 1.00 43.12 H new ATOM 482 N ILE A 30 -2.539 -11.014 -3.421 1.00 21.04 N ATOM 483 CA ILE A 30 -1.568 -10.380 -2.537 1.00 25.40 C ATOM 484 C ILE A 30 -1.054 -11.363 -1.489 1.00 54.31 C ATOM 485 O ILE A 30 0.104 -11.774 -1.525 1.00 30.13 O ATOM 486 CB ILE A 30 -2.170 -9.154 -1.825 1.00 25.32 C ATOM 487 CG1 ILE A 30 -2.558 -8.083 -2.847 1.00 22.54 C ATOM 488 CG2 ILE A 30 -1.184 -8.595 -0.811 1.00 54.50 C ATOM 489 CD1 ILE A 30 -3.711 -8.489 -3.738 1.00 2.12 C ATOM 0 H ILE A 30 -3.505 -10.726 -3.263 1.00 21.04 H new ATOM 0 HA ILE A 30 -0.738 -10.054 -3.163 1.00 25.40 H new ATOM 0 HB ILE A 30 -3.070 -9.465 -1.294 1.00 25.32 H new ATOM 0 HG12 ILE A 30 -2.822 -7.167 -2.319 1.00 22.54 H new ATOM 0 HG13 ILE A 30 -1.692 -7.854 -3.468 1.00 22.54 H new ATOM 0 HG21 ILE A 30 -1.623 -7.729 -0.316 1.00 54.50 H new ATOM 0 HG22 ILE A 30 -0.953 -9.359 -0.069 1.00 54.50 H new ATOM 0 HG23 ILE A 30 -0.268 -8.296 -1.321 1.00 54.50 H new ATOM 0 HD11 ILE A 30 -3.932 -7.683 -4.437 1.00 2.12 H new ATOM 0 HD12 ILE A 30 -3.443 -9.388 -4.293 1.00 2.12 H new ATOM 0 HD13 ILE A 30 -4.590 -8.690 -3.126 1.00 2.12 H new ATOM 501 N ASN A 31 -1.927 -11.735 -0.558 1.00 43.41 N ATOM 502 CA ASN A 31 -1.563 -12.670 0.500 1.00 2.31 C ATOM 503 C ASN A 31 -0.735 -13.824 -0.056 1.00 5.13 C ATOM 504 O ASN A 31 0.015 -14.472 0.674 1.00 30.10 O ATOM 505 CB ASN A 31 -2.818 -13.210 1.186 1.00 20.34 C ATOM 506 CG ASN A 31 -3.242 -12.363 2.369 1.00 13.41 C ATOM 507 OD1 ASN A 31 -2.494 -12.207 3.335 1.00 21.01 O ATOM 508 ND2 ASN A 31 -4.447 -11.810 2.300 1.00 74.22 N ATOM 0 H ASN A 31 -2.891 -11.403 -0.515 1.00 43.41 H new ATOM 0 HA ASN A 31 -0.960 -12.134 1.233 1.00 2.31 H new ATOM 0 HB2 ASN A 31 -3.633 -13.253 0.464 1.00 20.34 H new ATOM 0 HB3 ASN A 31 -2.634 -14.231 1.521 1.00 20.34 H new ATOM 0 HD21 ASN A 31 -4.786 -11.229 3.067 1.00 74.22 H new ATOM 0 HD22 ASN A 31 -5.034 -11.966 1.480 1.00 74.22 H new ATOM 515 N ASN A 32 -0.877 -14.076 -1.353 1.00 70.42 N ATOM 516 CA ASN A 32 -0.143 -15.154 -2.008 1.00 13.55 C ATOM 517 C ASN A 32 1.355 -15.028 -1.746 1.00 52.31 C ATOM 518 O ASN A 32 2.116 -15.967 -1.976 1.00 2.41 O ATOM 519 CB ASN A 32 -0.412 -15.140 -3.514 1.00 33.24 C ATOM 520 CG ASN A 32 0.099 -16.391 -4.203 1.00 41.22 C ATOM 521 OD1 ASN A 32 -0.256 -17.508 -3.830 1.00 42.12 O ATOM 522 ND2 ASN A 32 0.940 -16.206 -5.215 1.00 53.54 N ATOM 0 H ASN A 32 -1.493 -13.549 -1.972 1.00 70.42 H new ATOM 0 HA ASN A 32 -0.488 -16.101 -1.593 1.00 13.55 H new ATOM 0 HB2 ASN A 32 -1.484 -15.044 -3.688 1.00 33.24 H new ATOM 0 HB3 ASN A 32 0.062 -14.264 -3.957 1.00 33.24 H new ATOM 0 HD21 ASN A 32 1.319 -17.009 -5.717 1.00 53.54 H new ATOM 0 HD22 ASN A 32 1.207 -15.261 -5.490 1.00 53.54 H new ATOM 529 N TYR A 33 1.770 -13.861 -1.264 1.00 71.20 N ATOM 530 CA TYR A 33 3.177 -13.612 -0.973 1.00 34.41 C ATOM 531 C TYR A 33 3.664 -14.501 0.167 1.00 34.41 C ATOM 532 O TYR A 33 4.860 -14.753 0.306 1.00 53.13 O ATOM 533 CB TYR A 33 3.391 -12.140 -0.614 1.00 63.44 C ATOM 534 CG TYR A 33 2.638 -11.701 0.620 1.00 30.13 C ATOM 535 CD1 TYR A 33 2.952 -12.218 1.871 1.00 42.50 C ATOM 536 CD2 TYR A 33 1.611 -10.769 0.537 1.00 63.33 C ATOM 537 CE1 TYR A 33 2.266 -11.820 3.002 1.00 34.51 C ATOM 538 CE2 TYR A 33 0.920 -10.365 1.661 1.00 11.44 C ATOM 539 CZ TYR A 33 1.250 -10.894 2.892 1.00 43.22 C ATOM 540 OH TYR A 33 0.565 -10.494 4.016 1.00 50.10 O ATOM 0 H TYR A 33 1.152 -13.074 -1.067 1.00 71.20 H new ATOM 0 HA TYR A 33 3.755 -13.850 -1.866 1.00 34.41 H new ATOM 0 HB2 TYR A 33 4.456 -11.963 -0.461 1.00 63.44 H new ATOM 0 HB3 TYR A 33 3.083 -11.521 -1.457 1.00 63.44 H new ATOM 0 HD1 TYR A 33 3.747 -12.944 1.961 1.00 42.50 H new ATOM 0 HD2 TYR A 33 1.349 -10.353 -0.425 1.00 63.33 H new ATOM 0 HE1 TYR A 33 2.524 -12.232 3.967 1.00 34.51 H new ATOM 0 HE2 TYR A 33 0.125 -9.639 1.578 1.00 11.44 H new ATOM 0 HH TYR A 33 0.923 -10.960 4.800 1.00 50.10 H new ATOM 550 N ARG A 34 2.726 -14.974 0.981 1.00 34.32 N ATOM 551 CA ARG A 34 3.057 -15.834 2.111 1.00 62.14 C ATOM 552 C ARG A 34 1.900 -16.774 2.436 1.00 72.54 C ATOM 553 O ARG A 34 0.870 -16.763 1.762 1.00 72.40 O ATOM 554 CB ARG A 34 3.403 -14.990 3.338 1.00 11.04 C ATOM 555 CG ARG A 34 4.864 -14.575 3.400 1.00 0.44 C ATOM 556 CD ARG A 34 5.751 -15.724 3.853 1.00 41.21 C ATOM 557 NE ARG A 34 6.037 -16.656 2.765 1.00 22.01 N ATOM 558 CZ ARG A 34 7.001 -16.468 1.871 1.00 44.43 C ATOM 559 NH1 ARG A 34 7.768 -15.388 1.935 1.00 53.05 N ATOM 560 NH2 ARG A 34 7.201 -17.361 0.911 1.00 54.35 N ATOM 0 H ARG A 34 1.731 -14.776 0.879 1.00 34.32 H new ATOM 0 HA ARG A 34 3.924 -16.435 1.836 1.00 62.14 H new ATOM 0 HB2 ARG A 34 2.780 -14.096 3.341 1.00 11.04 H new ATOM 0 HB3 ARG A 34 3.156 -15.554 4.238 1.00 11.04 H new ATOM 0 HG2 ARG A 34 5.187 -14.230 2.418 1.00 0.44 H new ATOM 0 HG3 ARG A 34 4.976 -13.735 4.086 1.00 0.44 H new ATOM 0 HD2 ARG A 34 6.687 -15.327 4.245 1.00 41.21 H new ATOM 0 HD3 ARG A 34 5.264 -16.258 4.669 1.00 41.21 H new ATOM 0 HE ARG A 34 5.465 -17.497 2.688 1.00 22.01 H new ATOM 0 HH11 ARG A 34 7.618 -14.699 2.672 1.00 53.05 H new ATOM 0 HH12 ARG A 34 8.508 -15.246 1.247 1.00 53.05 H new ATOM 0 HH21 ARG A 34 6.614 -18.194 0.859 1.00 54.35 H new ATOM 0 HH22 ARG A 34 7.942 -17.215 0.225 1.00 54.35 H new ATOM 574 N TRP A 35 2.078 -17.587 3.471 1.00 51.31 N ATOM 575 CA TRP A 35 1.049 -18.534 3.885 1.00 33.40 C ATOM 576 C TRP A 35 0.251 -17.989 5.064 1.00 22.53 C ATOM 577 O TRP A 35 -0.432 -18.739 5.763 1.00 3.41 O ATOM 578 CB TRP A 35 1.681 -19.875 4.258 1.00 65.51 C ATOM 579 CG TRP A 35 1.795 -20.821 3.100 1.00 32.15 C ATOM 580 CD1 TRP A 35 1.021 -21.922 2.863 1.00 0.12 C ATOM 581 CD2 TRP A 35 2.736 -20.751 2.025 1.00 61.11 C ATOM 582 NE1 TRP A 35 1.426 -22.540 1.704 1.00 13.13 N ATOM 583 CE2 TRP A 35 2.476 -21.840 1.171 1.00 24.35 C ATOM 584 CE3 TRP A 35 3.774 -19.872 1.699 1.00 72.52 C ATOM 585 CZ2 TRP A 35 3.216 -22.073 0.015 1.00 71.12 C ATOM 586 CZ3 TRP A 35 4.508 -20.105 0.551 1.00 74.01 C ATOM 587 CH2 TRP A 35 4.225 -21.198 -0.280 1.00 44.53 C ATOM 0 H TRP A 35 2.925 -17.610 4.039 1.00 51.31 H new ATOM 0 HA TRP A 35 0.368 -18.682 3.047 1.00 33.40 H new ATOM 0 HB2 TRP A 35 2.674 -19.698 4.672 1.00 65.51 H new ATOM 0 HB3 TRP A 35 1.087 -20.343 5.043 1.00 65.51 H new ATOM 0 HD1 TRP A 35 0.211 -22.257 3.493 1.00 0.12 H new ATOM 0 HE1 TRP A 35 1.012 -23.383 1.306 1.00 13.13 H new ATOM 0 HE3 TRP A 35 3.998 -19.027 2.333 1.00 72.52 H new ATOM 0 HZ2 TRP A 35 3.001 -22.915 -0.626 1.00 71.12 H new ATOM 0 HZ3 TRP A 35 5.313 -19.434 0.290 1.00 74.01 H new ATOM 0 HH2 TRP A 35 4.816 -21.352 -1.171 1.00 44.53 H new ATOM 598 N ARG A 36 0.340 -16.681 5.280 1.00 34.21 N ATOM 599 CA ARG A 36 -0.374 -16.036 6.376 1.00 71.41 C ATOM 600 C ARG A 36 -1.241 -14.892 5.862 1.00 71.15 C ATOM 601 O ARG A 36 -1.180 -14.532 4.685 1.00 70.53 O ATOM 602 CB ARG A 36 0.615 -15.512 7.419 1.00 72.05 C ATOM 603 CG ARG A 36 1.678 -14.592 6.841 1.00 74.33 C ATOM 604 CD ARG A 36 2.523 -13.961 7.936 1.00 42.40 C ATOM 605 NE ARG A 36 3.605 -14.842 8.369 1.00 71.14 N ATOM 606 CZ ARG A 36 3.459 -15.790 9.287 1.00 33.50 C ATOM 607 NH1 ARG A 36 2.281 -15.980 9.866 1.00 13.44 N ATOM 608 NH2 ARG A 36 4.490 -16.552 9.627 1.00 61.12 N ATOM 0 H ARG A 36 0.900 -16.046 4.710 1.00 34.21 H new ATOM 0 HA ARG A 36 -1.022 -16.779 6.841 1.00 71.41 H new ATOM 0 HB2 ARG A 36 0.065 -14.977 8.193 1.00 72.05 H new ATOM 0 HB3 ARG A 36 1.103 -16.358 7.903 1.00 72.05 H new ATOM 0 HG2 ARG A 36 2.320 -15.156 6.164 1.00 74.33 H new ATOM 0 HG3 ARG A 36 1.202 -13.809 6.251 1.00 74.33 H new ATOM 0 HD2 ARG A 36 2.943 -13.022 7.574 1.00 42.40 H new ATOM 0 HD3 ARG A 36 1.889 -13.719 8.789 1.00 42.40 H new ATOM 0 HE ARG A 36 4.524 -14.722 7.942 1.00 71.14 H new ATOM 0 HH11 ARG A 36 1.485 -15.397 9.606 1.00 13.44 H new ATOM 0 HH12 ARG A 36 2.171 -16.709 10.571 1.00 13.44 H new ATOM 0 HH21 ARG A 36 5.397 -16.410 9.183 1.00 61.12 H new ATOM 0 HH22 ARG A 36 4.376 -17.280 10.333 1.00 61.12 H new ATOM 622 N CYS A 37 -2.049 -14.323 6.750 1.00 71.31 N ATOM 623 CA CYS A 37 -2.931 -13.220 6.386 1.00 3.35 C ATOM 624 C CYS A 37 -2.495 -11.927 7.071 1.00 25.12 C ATOM 625 O CYS A 37 -1.633 -11.937 7.950 1.00 41.03 O ATOM 626 CB CYS A 37 -4.376 -13.548 6.765 1.00 42.03 C ATOM 627 SG CYS A 37 -5.323 -14.367 5.442 1.00 70.25 S ATOM 0 H CYS A 37 -2.111 -14.608 7.728 1.00 71.31 H new ATOM 0 HA CYS A 37 -2.869 -13.079 5.307 1.00 3.35 H new ATOM 0 HB2 CYS A 37 -4.373 -14.190 7.646 1.00 42.03 H new ATOM 0 HB3 CYS A 37 -4.885 -12.626 7.045 1.00 42.03 H new ATOM 632 N LYS A 38 -3.098 -10.817 6.663 1.00 54.42 N ATOM 633 CA LYS A 38 -2.775 -9.515 7.237 1.00 71.12 C ATOM 634 C LYS A 38 -3.886 -9.041 8.168 1.00 53.42 C ATOM 635 O LYS A 38 -5.049 -9.401 7.996 1.00 73.43 O ATOM 636 CB LYS A 38 -2.551 -8.486 6.126 1.00 33.23 C ATOM 637 CG LYS A 38 -1.150 -8.520 5.540 1.00 13.14 C ATOM 638 CD LYS A 38 -0.205 -7.606 6.302 1.00 30.43 C ATOM 639 CE LYS A 38 0.912 -7.091 5.408 1.00 43.42 C ATOM 640 NZ LYS A 38 2.025 -8.074 5.287 1.00 32.22 N ATOM 0 H LYS A 38 -3.814 -10.792 5.937 1.00 54.42 H new ATOM 0 HA LYS A 38 -1.858 -9.618 7.817 1.00 71.12 H new ATOM 0 HB2 LYS A 38 -3.274 -8.661 5.329 1.00 33.23 H new ATOM 0 HB3 LYS A 38 -2.747 -7.489 6.521 1.00 33.23 H new ATOM 0 HG2 LYS A 38 -0.769 -9.541 5.565 1.00 13.14 H new ATOM 0 HG3 LYS A 38 -1.185 -8.218 4.493 1.00 13.14 H new ATOM 0 HD2 LYS A 38 -0.763 -6.764 6.711 1.00 30.43 H new ATOM 0 HD3 LYS A 38 0.223 -8.146 7.147 1.00 30.43 H new ATOM 0 HE2 LYS A 38 0.512 -6.871 4.418 1.00 43.42 H new ATOM 0 HE3 LYS A 38 1.297 -6.154 5.811 1.00 43.42 H new ATOM 0 HZ1 LYS A 38 2.774 -7.678 4.683 1.00 32.22 H new ATOM 0 HZ2 LYS A 38 2.412 -8.278 6.230 1.00 32.22 H new ATOM 0 HZ3 LYS A 38 1.667 -8.953 4.863 1.00 32.22 H new ATOM 654 N ASN A 39 -3.520 -8.227 9.154 1.00 62.11 N ATOM 655 CA ASN A 39 -4.486 -7.702 10.111 1.00 13.25 C ATOM 656 C ASN A 39 -5.192 -6.471 9.552 1.00 43.15 C ATOM 657 O ASN A 39 -6.390 -6.282 9.762 1.00 42.13 O ATOM 658 CB ASN A 39 -3.791 -7.351 11.428 1.00 34.43 C ATOM 659 CG ASN A 39 -4.658 -6.491 12.327 1.00 12.12 C ATOM 660 OD1 ASN A 39 -4.730 -5.273 12.158 1.00 4.03 O ATOM 661 ND2 ASN A 39 -5.320 -7.122 13.291 1.00 54.13 N ATOM 0 H ASN A 39 -2.561 -7.917 9.310 1.00 62.11 H new ATOM 0 HA ASN A 39 -5.233 -8.474 10.296 1.00 13.25 H new ATOM 0 HB2 ASN A 39 -3.527 -8.269 11.953 1.00 34.43 H new ATOM 0 HB3 ASN A 39 -2.860 -6.826 11.216 1.00 34.43 H new ATOM 0 HD21 ASN A 39 -5.918 -6.596 13.928 1.00 54.13 H new ATOM 0 HD22 ASN A 39 -5.230 -8.133 13.394 1.00 54.13 H new ATOM 668 N GLN A 40 -4.441 -5.637 8.839 1.00 22.14 N ATOM 669 CA GLN A 40 -4.995 -4.424 8.250 1.00 42.02 C ATOM 670 C GLN A 40 -4.352 -4.133 6.898 1.00 31.21 C ATOM 671 O GLN A 40 -3.149 -4.319 6.719 1.00 72.53 O ATOM 672 CB GLN A 40 -4.791 -3.235 9.192 1.00 64.41 C ATOM 673 CG GLN A 40 -5.928 -3.040 10.180 1.00 74.33 C ATOM 674 CD GLN A 40 -5.475 -2.390 11.472 1.00 43.42 C ATOM 675 OE1 GLN A 40 -4.281 -2.343 11.770 1.00 15.30 O ATOM 676 NE2 GLN A 40 -6.427 -1.883 12.247 1.00 64.23 N ATOM 0 H GLN A 40 -3.448 -5.779 8.656 1.00 22.14 H new ATOM 0 HA GLN A 40 -6.063 -4.579 8.098 1.00 42.02 H new ATOM 0 HB2 GLN A 40 -3.861 -3.375 9.744 1.00 64.41 H new ATOM 0 HB3 GLN A 40 -4.677 -2.328 8.599 1.00 64.41 H new ATOM 0 HG2 GLN A 40 -6.702 -2.425 9.720 1.00 74.33 H new ATOM 0 HG3 GLN A 40 -6.380 -4.007 10.403 1.00 74.33 H new ATOM 0 HE21 GLN A 40 -7.404 -1.944 11.961 1.00 64.23 H new ATOM 0 HE22 GLN A 40 -6.181 -1.432 13.128 1.00 64.23 H new ATOM 685 N ASN A 41 -5.163 -3.675 5.949 1.00 25.12 N ATOM 686 CA ASN A 41 -4.672 -3.359 4.612 1.00 21.54 C ATOM 687 C ASN A 41 -5.393 -2.142 4.043 1.00 72.13 C ATOM 688 O ASN A 41 -6.532 -1.850 4.411 1.00 3.52 O ATOM 689 CB ASN A 41 -4.860 -4.559 3.681 1.00 21.31 C ATOM 690 CG ASN A 41 -3.987 -4.473 2.445 1.00 44.13 C ATOM 691 OD1 ASN A 41 -3.141 -5.335 2.207 1.00 42.23 O ATOM 692 ND2 ASN A 41 -4.189 -3.429 1.649 1.00 44.50 N ATOM 0 H ASN A 41 -6.162 -3.515 6.081 1.00 25.12 H new ATOM 0 HA ASN A 41 -3.609 -3.128 4.686 1.00 21.54 H new ATOM 0 HB2 ASN A 41 -4.628 -5.476 4.223 1.00 21.31 H new ATOM 0 HB3 ASN A 41 -5.906 -4.622 3.380 1.00 21.31 H new ATOM 0 HD21 ASN A 41 -3.632 -3.318 0.802 1.00 44.50 H new ATOM 0 HD22 ASN A 41 -4.901 -2.738 1.885 1.00 44.50 H new ATOM 699 N THR A 42 -4.722 -1.432 3.140 1.00 60.30 N ATOM 700 CA THR A 42 -5.298 -0.245 2.519 1.00 21.33 C ATOM 701 C THR A 42 -4.958 -0.182 1.034 1.00 3.40 C ATOM 702 O THR A 42 -3.786 -0.136 0.657 1.00 31.33 O ATOM 703 CB THR A 42 -4.803 1.043 3.203 1.00 22.01 C ATOM 704 OG1 THR A 42 -5.233 1.069 4.569 1.00 73.30 O ATOM 705 CG2 THR A 42 -5.322 2.275 2.478 1.00 21.35 C ATOM 0 H THR A 42 -3.779 -1.659 2.823 1.00 60.30 H new ATOM 0 HA THR A 42 -6.379 -0.318 2.639 1.00 21.33 H new ATOM 0 HB THR A 42 -3.714 1.052 3.166 1.00 22.01 H new ATOM 0 HG1 THR A 42 -4.913 1.890 4.997 1.00 73.30 H new ATOM 0 HG21 THR A 42 -4.959 3.172 2.980 1.00 21.35 H new ATOM 0 HG22 THR A 42 -4.967 2.267 1.447 1.00 21.35 H new ATOM 0 HG23 THR A 42 -6.412 2.270 2.487 1.00 21.35 H new ATOM 713 N PHE A 43 -5.988 -0.179 0.196 1.00 44.22 N ATOM 714 CA PHE A 43 -5.798 -0.121 -1.249 1.00 50.45 C ATOM 715 C PHE A 43 -6.245 1.229 -1.802 1.00 74.33 C ATOM 716 O PHE A 43 -7.440 1.515 -1.881 1.00 54.21 O ATOM 717 CB PHE A 43 -6.574 -1.248 -1.932 1.00 50.04 C ATOM 718 CG PHE A 43 -6.324 -2.600 -1.328 1.00 22.41 C ATOM 719 CD1 PHE A 43 -6.670 -2.859 -0.011 1.00 61.34 C ATOM 720 CD2 PHE A 43 -5.744 -3.612 -2.076 1.00 54.30 C ATOM 721 CE1 PHE A 43 -6.440 -4.102 0.547 1.00 35.45 C ATOM 722 CE2 PHE A 43 -5.513 -4.857 -1.523 1.00 33.12 C ATOM 723 CZ PHE A 43 -5.863 -5.103 -0.209 1.00 50.32 C ATOM 0 H PHE A 43 -6.963 -0.216 0.492 1.00 44.22 H new ATOM 0 HA PHE A 43 -4.735 -0.244 -1.456 1.00 50.45 H new ATOM 0 HB2 PHE A 43 -7.640 -1.027 -1.880 1.00 50.04 H new ATOM 0 HB3 PHE A 43 -6.305 -1.275 -2.988 1.00 50.04 H new ATOM 0 HD1 PHE A 43 -7.124 -2.081 0.585 1.00 61.34 H new ATOM 0 HD2 PHE A 43 -5.469 -3.425 -3.104 1.00 54.30 H new ATOM 0 HE1 PHE A 43 -6.712 -4.291 1.575 1.00 35.45 H new ATOM 0 HE2 PHE A 43 -5.060 -5.637 -2.117 1.00 33.12 H new ATOM 0 HZ PHE A 43 -5.686 -6.076 0.225 1.00 50.32 H new ATOM 733 N LEU A 44 -5.278 2.054 -2.186 1.00 2.20 N ATOM 734 CA LEU A 44 -5.570 3.375 -2.733 1.00 4.14 C ATOM 735 C LEU A 44 -5.919 3.286 -4.214 1.00 23.41 C ATOM 736 O LEU A 44 -5.150 2.749 -5.013 1.00 0.42 O ATOM 737 CB LEU A 44 -4.374 4.307 -2.534 1.00 41.13 C ATOM 738 CG LEU A 44 -3.430 3.953 -1.385 1.00 2.33 C ATOM 739 CD1 LEU A 44 -2.594 5.160 -0.987 1.00 74.04 C ATOM 740 CD2 LEU A 44 -4.215 3.429 -0.191 1.00 51.13 C ATOM 0 H LEU A 44 -4.284 1.832 -2.129 1.00 2.20 H new ATOM 0 HA LEU A 44 -6.430 3.780 -2.200 1.00 4.14 H new ATOM 0 HB2 LEU A 44 -3.797 4.327 -3.458 1.00 41.13 H new ATOM 0 HB3 LEU A 44 -4.750 5.317 -2.371 1.00 41.13 H new ATOM 0 HG LEU A 44 -2.756 3.167 -1.725 1.00 2.33 H new ATOM 0 HD11 LEU A 44 -1.929 4.888 -0.168 1.00 74.04 H new ATOM 0 HD12 LEU A 44 -2.002 5.490 -1.841 1.00 74.04 H new ATOM 0 HD13 LEU A 44 -3.251 5.968 -0.667 1.00 74.04 H new ATOM 0 HD21 LEU A 44 -3.526 3.182 0.617 1.00 51.13 H new ATOM 0 HD22 LEU A 44 -4.914 4.193 0.149 1.00 51.13 H new ATOM 0 HD23 LEU A 44 -4.767 2.536 -0.482 1.00 51.13 H new ATOM 752 N ARG A 45 -7.083 3.817 -4.575 1.00 64.44 N ATOM 753 CA ARG A 45 -7.534 3.797 -5.962 1.00 30.31 C ATOM 754 C ARG A 45 -6.698 4.745 -6.818 1.00 33.33 C ATOM 755 O ARG A 45 -7.127 5.855 -7.134 1.00 32.30 O ATOM 756 CB ARG A 45 -9.012 4.185 -6.045 1.00 45.33 C ATOM 757 CG ARG A 45 -9.932 3.243 -5.287 1.00 40.03 C ATOM 758 CD ARG A 45 -11.310 3.175 -5.929 1.00 64.12 C ATOM 759 NE ARG A 45 -12.217 4.182 -5.387 1.00 45.10 N ATOM 760 CZ ARG A 45 -13.347 4.548 -5.980 1.00 21.42 C ATOM 761 NH1 ARG A 45 -13.707 3.992 -7.129 1.00 33.25 N ATOM 762 NH2 ARG A 45 -14.121 5.472 -5.424 1.00 71.32 N ATOM 0 H ARG A 45 -7.730 4.266 -3.927 1.00 64.44 H new ATOM 0 HA ARG A 45 -7.410 2.784 -6.345 1.00 30.31 H new ATOM 0 HB2 ARG A 45 -9.137 5.194 -5.653 1.00 45.33 H new ATOM 0 HB3 ARG A 45 -9.314 4.210 -7.092 1.00 45.33 H new ATOM 0 HG2 ARG A 45 -9.492 2.246 -5.260 1.00 40.03 H new ATOM 0 HG3 ARG A 45 -10.027 3.578 -4.254 1.00 40.03 H new ATOM 0 HD2 ARG A 45 -11.215 3.315 -7.006 1.00 64.12 H new ATOM 0 HD3 ARG A 45 -11.734 2.183 -5.772 1.00 64.12 H new ATOM 0 HE ARG A 45 -11.969 4.629 -4.504 1.00 45.10 H new ATOM 0 HH11 ARG A 45 -13.115 3.281 -7.559 1.00 33.25 H new ATOM 0 HH12 ARG A 45 -14.576 4.275 -7.582 1.00 33.25 H new ATOM 0 HH21 ARG A 45 -13.848 5.902 -4.540 1.00 71.32 H new ATOM 0 HH22 ARG A 45 -14.989 5.752 -5.881 1.00 71.32 H new ATOM 776 N THR A 46 -5.503 4.299 -7.190 1.00 41.42 N ATOM 777 CA THR A 46 -4.606 5.107 -8.008 1.00 72.13 C ATOM 778 C THR A 46 -3.508 4.252 -8.629 1.00 2.25 C ATOM 779 O THR A 46 -3.232 3.144 -8.166 1.00 71.42 O ATOM 780 CB THR A 46 -3.960 6.237 -7.184 1.00 70.32 C ATOM 781 OG1 THR A 46 -3.518 7.285 -8.053 1.00 23.20 O ATOM 782 CG2 THR A 46 -2.783 5.711 -6.376 1.00 22.12 C ATOM 0 H THR A 46 -5.133 3.382 -6.938 1.00 41.42 H new ATOM 0 HA THR A 46 -5.211 5.547 -8.801 1.00 72.13 H new ATOM 0 HB THR A 46 -4.708 6.629 -6.495 1.00 70.32 H new ATOM 0 HG1 THR A 46 -3.410 8.112 -7.539 1.00 23.20 H new ATOM 0 HG21 THR A 46 -2.342 6.526 -5.802 1.00 22.12 H new ATOM 0 HG22 THR A 46 -3.128 4.933 -5.695 1.00 22.12 H new ATOM 0 HG23 THR A 46 -2.034 5.297 -7.051 1.00 22.12 H new ATOM 790 N THR A 47 -2.880 4.773 -9.678 1.00 1.34 N ATOM 791 CA THR A 47 -1.810 4.057 -10.362 1.00 73.11 C ATOM 792 C THR A 47 -0.456 4.354 -9.727 1.00 11.54 C ATOM 793 O THR A 47 -0.242 5.432 -9.172 1.00 52.22 O ATOM 794 CB THR A 47 -1.755 4.425 -11.857 1.00 25.52 C ATOM 795 OG1 THR A 47 -2.234 5.759 -12.051 1.00 51.32 O ATOM 796 CG2 THR A 47 -2.587 3.456 -12.683 1.00 44.12 C ATOM 0 H THR A 47 -3.094 5.689 -10.073 1.00 1.34 H new ATOM 0 HA THR A 47 -2.028 2.994 -10.265 1.00 73.11 H new ATOM 0 HB THR A 47 -0.718 4.361 -12.187 1.00 25.52 H new ATOM 0 HG1 THR A 47 -2.194 5.986 -13.004 1.00 51.32 H new ATOM 0 HG21 THR A 47 -2.533 3.736 -13.735 1.00 44.12 H new ATOM 0 HG22 THR A 47 -2.200 2.445 -12.556 1.00 44.12 H new ATOM 0 HG23 THR A 47 -3.624 3.492 -12.351 1.00 44.12 H new ATOM 804 N PHE A 48 0.456 3.390 -9.811 1.00 54.53 N ATOM 805 CA PHE A 48 1.789 3.550 -9.244 1.00 24.31 C ATOM 806 C PHE A 48 2.369 4.918 -9.590 1.00 61.51 C ATOM 807 O PHE A 48 3.062 5.533 -8.781 1.00 25.22 O ATOM 808 CB PHE A 48 2.718 2.445 -9.755 1.00 0.30 C ATOM 809 CG PHE A 48 3.785 2.057 -8.772 1.00 32.24 C ATOM 810 CD1 PHE A 48 3.461 1.777 -7.454 1.00 3.11 C ATOM 811 CD2 PHE A 48 5.111 1.971 -9.164 1.00 74.31 C ATOM 812 CE1 PHE A 48 4.441 1.420 -6.547 1.00 20.25 C ATOM 813 CE2 PHE A 48 6.094 1.614 -8.262 1.00 4.34 C ATOM 814 CZ PHE A 48 5.758 1.337 -6.952 1.00 3.52 C ATOM 0 H PHE A 48 0.296 2.491 -10.266 1.00 54.53 H new ATOM 0 HA PHE A 48 1.707 3.475 -8.160 1.00 24.31 H new ATOM 0 HB2 PHE A 48 2.123 1.565 -9.999 1.00 0.30 H new ATOM 0 HB3 PHE A 48 3.190 2.777 -10.680 1.00 0.30 H new ATOM 0 HD1 PHE A 48 2.432 1.838 -7.132 1.00 3.11 H new ATOM 0 HD2 PHE A 48 5.379 2.186 -10.188 1.00 74.31 H new ATOM 0 HE1 PHE A 48 4.176 1.206 -5.522 1.00 20.25 H new ATOM 0 HE2 PHE A 48 7.124 1.552 -8.581 1.00 4.34 H new ATOM 0 HZ PHE A 48 6.524 1.056 -6.245 1.00 3.52 H new ATOM 824 N ALA A 49 2.079 5.387 -10.800 1.00 4.31 N ATOM 825 CA ALA A 49 2.569 6.683 -11.253 1.00 24.10 C ATOM 826 C ALA A 49 2.137 7.796 -10.305 1.00 52.44 C ATOM 827 O ALA A 49 2.968 8.542 -9.789 1.00 33.15 O ATOM 828 CB ALA A 49 2.078 6.968 -12.665 1.00 11.55 C ATOM 0 H ALA A 49 1.508 4.889 -11.483 1.00 4.31 H new ATOM 0 HA ALA A 49 3.658 6.650 -11.259 1.00 24.10 H new ATOM 0 HB1 ALA A 49 2.451 7.939 -12.991 1.00 11.55 H new ATOM 0 HB2 ALA A 49 2.443 6.194 -13.340 1.00 11.55 H new ATOM 0 HB3 ALA A 49 0.988 6.976 -12.677 1.00 11.55 H new ATOM 834 N ASN A 50 0.831 7.903 -10.082 1.00 40.30 N ATOM 835 CA ASN A 50 0.289 8.927 -9.197 1.00 73.31 C ATOM 836 C ASN A 50 0.966 8.880 -7.831 1.00 62.21 C ATOM 837 O ASN A 50 1.070 9.895 -7.142 1.00 53.00 O ATOM 838 CB ASN A 50 -1.222 8.743 -9.036 1.00 33.53 C ATOM 839 CG ASN A 50 -1.980 9.040 -10.316 1.00 24.24 C ATOM 840 OD1 ASN A 50 -2.148 10.199 -10.696 1.00 14.13 O ATOM 841 ND2 ASN A 50 -2.442 7.991 -10.986 1.00 62.42 N ATOM 0 H ASN A 50 0.129 7.293 -10.502 1.00 40.30 H new ATOM 0 HA ASN A 50 0.485 9.901 -9.646 1.00 73.31 H new ATOM 0 HB2 ASN A 50 -1.429 7.720 -8.723 1.00 33.53 H new ATOM 0 HB3 ASN A 50 -1.583 9.398 -8.243 1.00 33.53 H new ATOM 0 HD21 ASN A 50 -2.960 8.128 -11.854 1.00 62.42 H new ATOM 0 HD22 ASN A 50 -2.279 7.048 -10.633 1.00 62.42 H new ATOM 848 N VAL A 51 1.426 7.694 -7.445 1.00 43.13 N ATOM 849 CA VAL A 51 2.096 7.514 -6.162 1.00 72.14 C ATOM 850 C VAL A 51 3.510 8.086 -6.196 1.00 32.55 C ATOM 851 O VAL A 51 3.926 8.793 -5.278 1.00 62.13 O ATOM 852 CB VAL A 51 2.164 6.026 -5.769 1.00 42.42 C ATOM 853 CG1 VAL A 51 3.257 5.798 -4.735 1.00 13.00 C ATOM 854 CG2 VAL A 51 0.817 5.552 -5.248 1.00 32.15 C ATOM 0 H VAL A 51 1.347 6.843 -8.002 1.00 43.13 H new ATOM 0 HA VAL A 51 1.508 8.052 -5.418 1.00 72.14 H new ATOM 0 HB VAL A 51 2.409 5.443 -6.656 1.00 42.42 H new ATOM 0 HG11 VAL A 51 3.291 4.742 -4.469 1.00 13.00 H new ATOM 0 HG12 VAL A 51 4.219 6.099 -5.150 1.00 13.00 H new ATOM 0 HG13 VAL A 51 3.045 6.390 -3.845 1.00 13.00 H new ATOM 0 HG21 VAL A 51 0.883 4.499 -4.975 1.00 32.15 H new ATOM 0 HG22 VAL A 51 0.539 6.138 -4.372 1.00 32.15 H new ATOM 0 HG23 VAL A 51 0.062 5.679 -6.023 1.00 32.15 H new ATOM 864 N VAL A 52 4.244 7.774 -7.260 1.00 33.35 N ATOM 865 CA VAL A 52 5.610 8.258 -7.414 1.00 22.13 C ATOM 866 C VAL A 52 5.655 9.782 -7.432 1.00 22.41 C ATOM 867 O VAL A 52 6.599 10.390 -6.931 1.00 10.12 O ATOM 868 CB VAL A 52 6.252 7.721 -8.706 1.00 65.42 C ATOM 869 CG1 VAL A 52 7.717 8.126 -8.782 1.00 74.45 C ATOM 870 CG2 VAL A 52 6.105 6.209 -8.786 1.00 2.03 C ATOM 0 H VAL A 52 3.915 7.188 -8.028 1.00 33.35 H new ATOM 0 HA VAL A 52 6.174 7.892 -6.557 1.00 22.13 H new ATOM 0 HB VAL A 52 5.733 8.159 -9.558 1.00 65.42 H new ATOM 0 HG11 VAL A 52 8.155 7.738 -9.702 1.00 74.45 H new ATOM 0 HG12 VAL A 52 7.795 9.213 -8.774 1.00 74.45 H new ATOM 0 HG13 VAL A 52 8.252 7.718 -7.925 1.00 74.45 H new ATOM 0 HG21 VAL A 52 6.565 5.847 -9.706 1.00 2.03 H new ATOM 0 HG22 VAL A 52 6.598 5.750 -7.929 1.00 2.03 H new ATOM 0 HG23 VAL A 52 5.047 5.945 -8.781 1.00 2.03 H new ATOM 880 N ASN A 53 4.626 10.392 -8.012 1.00 24.41 N ATOM 881 CA ASN A 53 4.549 11.845 -8.095 1.00 75.53 C ATOM 882 C ASN A 53 4.326 12.459 -6.716 1.00 70.44 C ATOM 883 O ASN A 53 4.615 13.634 -6.494 1.00 53.22 O ATOM 884 CB ASN A 53 3.419 12.263 -9.040 1.00 23.02 C ATOM 885 CG ASN A 53 3.006 13.708 -8.843 1.00 71.13 C ATOM 886 OD1 ASN A 53 3.506 14.606 -9.522 1.00 15.02 O ATOM 887 ND2 ASN A 53 2.089 13.940 -7.912 1.00 3.34 N ATOM 0 H ASN A 53 3.835 9.903 -8.431 1.00 24.41 H new ATOM 0 HA ASN A 53 5.498 12.212 -8.487 1.00 75.53 H new ATOM 0 HB2 ASN A 53 3.739 12.117 -10.072 1.00 23.02 H new ATOM 0 HB3 ASN A 53 2.556 11.616 -8.879 1.00 23.02 H new ATOM 0 HD21 ASN A 53 1.771 14.893 -7.735 1.00 3.34 H new ATOM 0 HD22 ASN A 53 1.702 13.165 -7.373 1.00 3.34 H new ATOM 894 N VAL A 54 3.811 11.653 -5.793 1.00 63.32 N ATOM 895 CA VAL A 54 3.551 12.115 -4.435 1.00 22.31 C ATOM 896 C VAL A 54 4.842 12.202 -3.628 1.00 42.51 C ATOM 897 O VAL A 54 4.932 12.958 -2.660 1.00 12.45 O ATOM 898 CB VAL A 54 2.565 11.185 -3.705 1.00 75.02 C ATOM 899 CG1 VAL A 54 2.661 11.379 -2.199 1.00 42.41 C ATOM 900 CG2 VAL A 54 1.144 11.429 -4.192 1.00 30.14 C ATOM 0 H VAL A 54 3.566 10.677 -5.961 1.00 63.32 H new ATOM 0 HA VAL A 54 3.109 13.108 -4.518 1.00 22.31 H new ATOM 0 HB VAL A 54 2.831 10.153 -3.931 1.00 75.02 H new ATOM 0 HG11 VAL A 54 1.957 10.713 -1.701 1.00 42.41 H new ATOM 0 HG12 VAL A 54 3.674 11.151 -1.867 1.00 42.41 H new ATOM 0 HG13 VAL A 54 2.422 12.413 -1.949 1.00 42.41 H new ATOM 0 HG21 VAL A 54 0.460 10.763 -3.666 1.00 30.14 H new ATOM 0 HG22 VAL A 54 0.865 12.464 -3.997 1.00 30.14 H new ATOM 0 HG23 VAL A 54 1.088 11.234 -5.263 1.00 30.14 H new ATOM 910 N CYS A 55 5.840 11.424 -4.033 1.00 3.23 N ATOM 911 CA CYS A 55 7.127 11.412 -3.348 1.00 12.04 C ATOM 912 C CYS A 55 7.979 12.606 -3.771 1.00 24.04 C ATOM 913 O CYS A 55 8.847 13.057 -3.024 1.00 75.04 O ATOM 914 CB CYS A 55 7.873 10.110 -3.643 1.00 2.30 C ATOM 915 SG CYS A 55 7.108 8.631 -2.906 1.00 30.41 S ATOM 0 H CYS A 55 5.782 10.793 -4.833 1.00 3.23 H new ATOM 0 HA CYS A 55 6.941 11.482 -2.276 1.00 12.04 H new ATOM 0 HB2 CYS A 55 7.933 9.975 -4.723 1.00 2.30 H new ATOM 0 HB3 CYS A 55 8.895 10.198 -3.276 1.00 2.30 H new ATOM 920 N GLY A 56 7.723 13.113 -4.973 1.00 12.04 N ATOM 921 CA GLY A 56 8.473 14.250 -5.473 1.00 63.35 C ATOM 922 C GLY A 56 8.115 15.539 -4.764 1.00 13.42 C ATOM 923 O GLY A 56 8.609 16.609 -5.118 1.00 64.44 O ATOM 0 H GLY A 56 7.010 12.757 -5.609 1.00 12.04 H new ATOM 0 HA2 GLY A 56 9.539 14.058 -5.354 1.00 63.35 H new ATOM 0 HA3 GLY A 56 8.286 14.363 -6.541 1.00 63.35 H new ATOM 927 N ASN A 57 7.252 15.440 -3.758 1.00 74.10 N ATOM 928 CA ASN A 57 6.826 16.609 -2.997 1.00 73.44 C ATOM 929 C ASN A 57 7.626 16.739 -1.705 1.00 42.13 C ATOM 930 O ASN A 57 8.298 15.797 -1.283 1.00 35.11 O ATOM 931 CB ASN A 57 5.332 16.519 -2.678 1.00 52.11 C ATOM 932 CG ASN A 57 4.487 16.304 -3.918 1.00 70.41 C ATOM 933 OD1 ASN A 57 4.988 16.361 -5.042 1.00 31.31 O ATOM 934 ND2 ASN A 57 3.198 16.055 -3.720 1.00 72.42 N ATOM 0 H ASN A 57 6.834 14.562 -3.451 1.00 74.10 H new ATOM 0 HA ASN A 57 7.008 17.494 -3.607 1.00 73.44 H new ATOM 0 HB2 ASN A 57 5.161 15.700 -1.979 1.00 52.11 H new ATOM 0 HB3 ASN A 57 5.014 17.435 -2.180 1.00 52.11 H new ATOM 0 HD21 ASN A 57 2.580 15.902 -4.517 1.00 72.42 H new ATOM 0 HD22 ASN A 57 2.826 16.017 -2.771 1.00 72.42 H new ATOM 941 N GLN A 58 7.551 17.911 -1.084 1.00 72.20 N ATOM 942 CA GLN A 58 8.269 18.164 0.159 1.00 3.13 C ATOM 943 C GLN A 58 8.086 17.009 1.138 1.00 1.14 C ATOM 944 O GLN A 58 7.009 16.826 1.705 1.00 53.33 O ATOM 945 CB GLN A 58 7.786 19.468 0.796 1.00 41.22 C ATOM 946 CG GLN A 58 8.774 20.063 1.788 1.00 74.13 C ATOM 947 CD GLN A 58 10.189 20.109 1.245 1.00 12.21 C ATOM 948 OE1 GLN A 58 10.554 21.027 0.511 1.00 44.02 O ATOM 949 NE2 GLN A 58 10.993 19.117 1.606 1.00 65.24 N ATOM 0 H GLN A 58 7.000 18.701 -1.421 1.00 72.20 H new ATOM 0 HA GLN A 58 9.330 18.254 -0.076 1.00 3.13 H new ATOM 0 HB2 GLN A 58 7.591 20.197 0.009 1.00 41.22 H new ATOM 0 HB3 GLN A 58 6.839 19.286 1.304 1.00 41.22 H new ATOM 0 HG2 GLN A 58 8.457 21.072 2.050 1.00 74.13 H new ATOM 0 HG3 GLN A 58 8.760 19.475 2.706 1.00 74.13 H new ATOM 0 HE21 GLN A 58 10.647 18.377 2.217 1.00 65.24 H new ATOM 0 HE22 GLN A 58 11.957 19.095 1.273 1.00 65.24 H new ATOM 958 N SER A 59 9.146 16.230 1.332 1.00 62.11 N ATOM 959 CA SER A 59 9.100 15.089 2.240 1.00 51.24 C ATOM 960 C SER A 59 8.940 15.551 3.684 1.00 33.24 C ATOM 961 O SER A 59 9.543 16.539 4.103 1.00 32.10 O ATOM 962 CB SER A 59 10.371 14.249 2.099 1.00 25.22 C ATOM 963 OG SER A 59 11.475 15.052 1.723 1.00 65.31 O ATOM 0 H SER A 59 10.046 16.368 0.873 1.00 62.11 H new ATOM 0 HA SER A 59 8.237 14.478 1.975 1.00 51.24 H new ATOM 0 HB2 SER A 59 10.586 13.749 3.043 1.00 25.22 H new ATOM 0 HB3 SER A 59 10.214 13.469 1.354 1.00 25.22 H new ATOM 0 HG SER A 59 11.544 15.076 0.746 1.00 65.31 H new ATOM 969 N ILE A 60 8.122 14.827 4.443 1.00 51.03 N ATOM 970 CA ILE A 60 7.882 15.161 5.841 1.00 24.00 C ATOM 971 C ILE A 60 8.187 13.975 6.749 1.00 34.33 C ATOM 972 O ILE A 60 8.504 12.883 6.276 1.00 3.22 O ATOM 973 CB ILE A 60 6.427 15.609 6.070 1.00 11.44 C ATOM 974 CG1 ILE A 60 5.470 14.767 5.223 1.00 5.52 C ATOM 975 CG2 ILE A 60 6.271 17.088 5.746 1.00 71.31 C ATOM 976 CD1 ILE A 60 4.017 15.148 5.395 1.00 51.02 C ATOM 0 H ILE A 60 7.615 14.006 4.112 1.00 51.03 H new ATOM 0 HA ILE A 60 8.550 15.986 6.089 1.00 24.00 H new ATOM 0 HB ILE A 60 6.178 15.459 7.120 1.00 11.44 H new ATOM 0 HG12 ILE A 60 5.742 14.869 4.172 1.00 5.52 H new ATOM 0 HG13 ILE A 60 5.595 13.716 5.484 1.00 5.52 H new ATOM 0 HG21 ILE A 60 5.237 17.390 5.913 1.00 71.31 H new ATOM 0 HG22 ILE A 60 6.928 17.673 6.390 1.00 71.31 H new ATOM 0 HG23 ILE A 60 6.536 17.262 4.703 1.00 71.31 H new ATOM 0 HD11 ILE A 60 3.397 14.510 4.765 1.00 51.02 H new ATOM 0 HD12 ILE A 60 3.728 15.019 6.438 1.00 51.02 H new ATOM 0 HD13 ILE A 60 3.877 16.190 5.106 1.00 51.02 H new ATOM 988 N ARG A 61 8.084 14.195 8.056 1.00 43.33 N ATOM 989 CA ARG A 61 8.348 13.144 9.031 1.00 62.20 C ATOM 990 C ARG A 61 7.107 12.285 9.254 1.00 41.14 C ATOM 991 O ARG A 61 6.037 12.796 9.586 1.00 52.15 O ATOM 992 CB ARG A 61 8.806 13.753 10.357 1.00 12.44 C ATOM 993 CG ARG A 61 7.829 14.766 10.932 1.00 73.13 C ATOM 994 CD ARG A 61 8.229 15.192 12.336 1.00 53.34 C ATOM 995 NE ARG A 61 9.232 16.254 12.320 1.00 34.12 N ATOM 996 CZ ARG A 61 8.950 17.528 12.071 1.00 53.20 C ATOM 997 NH1 ARG A 61 7.702 17.897 11.818 1.00 73.31 N ATOM 998 NH2 ARG A 61 9.917 18.436 12.076 1.00 41.21 N ATOM 0 H ARG A 61 7.820 15.092 8.464 1.00 43.33 H new ATOM 0 HA ARG A 61 9.142 12.509 8.638 1.00 62.20 H new ATOM 0 HB2 ARG A 61 8.955 12.953 11.082 1.00 12.44 H new ATOM 0 HB3 ARG A 61 9.772 14.235 10.211 1.00 12.44 H new ATOM 0 HG2 ARG A 61 7.787 15.641 10.283 1.00 73.13 H new ATOM 0 HG3 ARG A 61 6.828 14.336 10.953 1.00 73.13 H new ATOM 0 HD2 ARG A 61 7.347 15.535 12.876 1.00 53.34 H new ATOM 0 HD3 ARG A 61 8.621 14.331 12.878 1.00 53.34 H new ATOM 0 HE ARG A 61 10.202 16.003 12.511 1.00 34.12 H new ATOM 0 HH11 ARG A 61 6.955 17.202 11.814 1.00 73.31 H new ATOM 0 HH12 ARG A 61 7.488 18.876 11.627 1.00 73.31 H new ATOM 0 HH21 ARG A 61 10.878 18.156 12.271 1.00 41.21 H new ATOM 0 HH22 ARG A 61 9.699 19.414 11.885 1.00 41.21 H new ATOM 1012 N CYS A 62 7.257 10.978 9.069 1.00 13.13 N ATOM 1013 CA CYS A 62 6.149 10.048 9.248 1.00 11.15 C ATOM 1014 C CYS A 62 5.670 10.046 10.698 1.00 22.51 C ATOM 1015 O CYS A 62 6.457 10.164 11.638 1.00 12.11 O ATOM 1016 CB CYS A 62 6.569 8.636 8.837 1.00 63.30 C ATOM 1017 SG CYS A 62 6.302 8.265 7.073 1.00 12.31 S ATOM 0 H CYS A 62 8.136 10.539 8.795 1.00 13.13 H new ATOM 0 HA CYS A 62 5.327 10.375 8.612 1.00 11.15 H new ATOM 0 HB2 CYS A 62 7.625 8.500 9.070 1.00 63.30 H new ATOM 0 HB3 CYS A 62 6.015 7.914 9.437 1.00 63.30 H new ATOM 1022 N PRO A 63 4.349 9.907 10.884 1.00 23.41 N ATOM 1023 CA PRO A 63 3.736 9.884 12.216 1.00 54.34 C ATOM 1024 C PRO A 63 4.078 8.616 12.990 1.00 34.31 C ATOM 1025 O PRO A 63 3.905 8.555 14.208 1.00 0.12 O ATOM 1026 CB PRO A 63 2.236 9.940 11.916 1.00 53.02 C ATOM 1027 CG PRO A 63 2.102 9.369 10.546 1.00 72.21 C ATOM 1028 CD PRO A 63 3.353 9.760 9.809 1.00 12.42 C ATOM 0 HA PRO A 63 4.090 10.703 12.842 1.00 54.34 H new ATOM 0 HB2 PRO A 63 1.665 9.363 12.643 1.00 53.02 H new ATOM 0 HB3 PRO A 63 1.862 10.963 11.957 1.00 53.02 H new ATOM 0 HG2 PRO A 63 1.994 8.285 10.584 1.00 72.21 H new ATOM 0 HG3 PRO A 63 1.216 9.760 10.045 1.00 72.21 H new ATOM 0 HD2 PRO A 63 3.649 8.998 9.088 1.00 12.42 H new ATOM 0 HD3 PRO A 63 3.219 10.689 9.255 1.00 12.42 H new ATOM 1036 N HIS A 64 4.562 7.605 12.276 1.00 44.41 N ATOM 1037 CA HIS A 64 4.930 6.338 12.898 1.00 22.53 C ATOM 1038 C HIS A 64 6.251 6.463 13.651 1.00 54.53 C ATOM 1039 O HIS A 64 6.527 5.697 14.572 1.00 31.33 O ATOM 1040 CB HIS A 64 5.035 5.238 11.841 1.00 73.31 C ATOM 1041 CG HIS A 64 5.301 3.880 12.413 1.00 32.52 C ATOM 1042 ND1 HIS A 64 4.601 3.364 13.483 1.00 2.32 N ATOM 1043 CD2 HIS A 64 6.194 2.928 12.057 1.00 62.45 C ATOM 1044 CE1 HIS A 64 5.054 2.155 13.761 1.00 4.23 C ATOM 1045 NE2 HIS A 64 6.021 1.867 12.910 1.00 25.41 N ATOM 0 H HIS A 64 4.708 7.638 11.267 1.00 44.41 H new ATOM 0 HA HIS A 64 4.150 6.074 13.612 1.00 22.53 H new ATOM 0 HB2 HIS A 64 4.108 5.207 11.268 1.00 73.31 H new ATOM 0 HB3 HIS A 64 5.833 5.492 11.143 1.00 73.31 H new ATOM 0 HD2 HIS A 64 6.910 2.991 11.251 1.00 62.45 H new ATOM 0 HE1 HIS A 64 4.694 1.511 14.550 1.00 4.23 H new ATOM 0 HE2 HIS A 64 6.553 0.997 12.890 1.00 25.41 H new ATOM 1054 N ASN A 65 7.063 7.437 13.251 1.00 64.55 N ATOM 1055 CA ASN A 65 8.355 7.662 13.887 1.00 45.40 C ATOM 1056 C ASN A 65 8.679 9.152 13.950 1.00 75.30 C ATOM 1057 O ASN A 65 8.423 9.893 13.000 1.00 34.03 O ATOM 1058 CB ASN A 65 9.459 6.922 13.127 1.00 33.30 C ATOM 1059 CG ASN A 65 10.607 6.512 14.027 1.00 0.21 C ATOM 1060 OD1 ASN A 65 10.604 6.797 15.225 1.00 30.52 O ATOM 1061 ND2 ASN A 65 11.597 5.839 13.454 1.00 64.14 N ATOM 0 H ASN A 65 6.849 8.082 12.490 1.00 64.55 H new ATOM 0 HA ASN A 65 8.301 7.275 14.905 1.00 45.40 H new ATOM 0 HB2 ASN A 65 9.038 6.035 12.653 1.00 33.30 H new ATOM 0 HB3 ASN A 65 9.837 7.561 12.329 1.00 33.30 H new ATOM 0 HD21 ASN A 65 12.397 5.536 14.010 1.00 64.14 H new ATOM 0 HD22 ASN A 65 11.558 5.624 12.458 1.00 64.14 H new ATOM 1068 N ARG A 66 9.242 9.583 15.074 1.00 72.21 N ATOM 1069 CA ARG A 66 9.599 10.984 15.261 1.00 41.34 C ATOM 1070 C ARG A 66 11.058 11.228 14.885 1.00 12.21 C ATOM 1071 O ARG A 66 11.655 12.228 15.285 1.00 54.42 O ATOM 1072 CB ARG A 66 9.358 11.405 16.711 1.00 0.03 C ATOM 1073 CG ARG A 66 9.830 10.380 17.729 1.00 34.33 C ATOM 1074 CD ARG A 66 9.753 10.926 19.147 1.00 34.41 C ATOM 1075 NE ARG A 66 10.762 10.330 20.018 1.00 64.22 N ATOM 1076 CZ ARG A 66 10.749 10.443 21.341 1.00 3.53 C ATOM 1077 NH1 ARG A 66 9.785 11.126 21.942 1.00 33.04 N ATOM 1078 NH2 ARG A 66 11.704 9.873 22.067 1.00 72.14 N ATOM 0 H ARG A 66 9.461 8.982 15.869 1.00 72.21 H new ATOM 0 HA ARG A 66 8.967 11.584 14.606 1.00 41.34 H new ATOM 0 HB2 ARG A 66 9.869 12.350 16.896 1.00 0.03 H new ATOM 0 HB3 ARG A 66 8.293 11.585 16.856 1.00 0.03 H new ATOM 0 HG2 ARG A 66 9.220 9.480 17.651 1.00 34.33 H new ATOM 0 HG3 ARG A 66 10.856 10.089 17.505 1.00 34.33 H new ATOM 0 HD2 ARG A 66 9.885 12.008 19.127 1.00 34.41 H new ATOM 0 HD3 ARG A 66 8.761 10.733 19.556 1.00 34.41 H new ATOM 0 HE ARG A 66 11.518 9.798 19.587 1.00 64.22 H new ATOM 0 HH11 ARG A 66 9.050 11.567 21.388 1.00 33.04 H new ATOM 0 HH12 ARG A 66 9.778 11.211 22.958 1.00 33.04 H new ATOM 0 HH21 ARG A 66 12.448 9.348 21.608 1.00 72.14 H new ATOM 0 HH22 ARG A 66 11.693 9.961 23.083 1.00 72.14 H new ATOM 1092 N THR A 67 11.628 10.307 14.115 1.00 40.01 N ATOM 1093 CA THR A 67 13.017 10.420 13.686 1.00 34.22 C ATOM 1094 C THR A 67 13.154 10.151 12.192 1.00 4.31 C ATOM 1095 O THR A 67 13.782 10.924 11.468 1.00 43.23 O ATOM 1096 CB THR A 67 13.924 9.445 14.459 1.00 62.23 C ATOM 1097 OG1 THR A 67 15.256 9.497 13.938 1.00 64.14 O ATOM 1098 CG2 THR A 67 13.392 8.022 14.365 1.00 24.12 C ATOM 0 H THR A 67 11.149 9.473 13.775 1.00 40.01 H new ATOM 0 HA THR A 67 13.332 11.442 13.898 1.00 34.22 H new ATOM 0 HB THR A 67 13.933 9.745 15.507 1.00 62.23 H new ATOM 0 HG1 THR A 67 15.827 8.875 14.436 1.00 64.14 H new ATOM 0 HG21 THR A 67 14.049 7.351 14.918 1.00 24.12 H new ATOM 0 HG22 THR A 67 12.389 7.980 14.789 1.00 24.12 H new ATOM 0 HG23 THR A 67 13.357 7.715 13.320 1.00 24.12 H new ATOM 1106 N LEU A 68 12.565 9.051 11.738 1.00 44.10 N ATOM 1107 CA LEU A 68 12.622 8.679 10.328 1.00 63.12 C ATOM 1108 C LEU A 68 11.851 9.677 9.470 1.00 61.02 C ATOM 1109 O LEU A 68 10.666 9.919 9.696 1.00 25.11 O ATOM 1110 CB LEU A 68 12.057 7.272 10.127 1.00 2.03 C ATOM 1111 CG LEU A 68 12.636 6.476 8.957 1.00 12.42 C ATOM 1112 CD1 LEU A 68 12.216 5.017 9.045 1.00 4.14 C ATOM 1113 CD2 LEU A 68 12.197 7.081 7.632 1.00 63.41 C ATOM 0 H LEU A 68 12.042 8.401 12.325 1.00 44.10 H new ATOM 0 HA LEU A 68 13.667 8.691 10.017 1.00 63.12 H new ATOM 0 HB2 LEU A 68 12.219 6.703 11.043 1.00 2.03 H new ATOM 0 HB3 LEU A 68 10.979 7.352 9.988 1.00 2.03 H new ATOM 0 HG LEU A 68 13.724 6.523 9.012 1.00 12.42 H new ATOM 0 HD11 LEU A 68 12.637 4.466 8.204 1.00 4.14 H new ATOM 0 HD12 LEU A 68 12.581 4.589 9.979 1.00 4.14 H new ATOM 0 HD13 LEU A 68 11.129 4.949 9.015 1.00 4.14 H new ATOM 0 HD21 LEU A 68 12.618 6.502 6.810 1.00 63.41 H new ATOM 0 HD22 LEU A 68 11.109 7.065 7.567 1.00 63.41 H new ATOM 0 HD23 LEU A 68 12.549 8.111 7.568 1.00 63.41 H new ATOM 1125 N ASN A 69 12.532 10.251 8.484 1.00 54.04 N ATOM 1126 CA ASN A 69 11.910 11.222 7.590 1.00 11.50 C ATOM 1127 C ASN A 69 12.260 10.926 6.136 1.00 63.44 C ATOM 1128 O ASN A 69 12.985 11.685 5.494 1.00 35.11 O ATOM 1129 CB ASN A 69 12.354 12.640 7.955 1.00 15.10 C ATOM 1130 CG ASN A 69 11.954 13.026 9.365 1.00 14.41 C ATOM 1131 OD1 ASN A 69 11.657 12.168 10.196 1.00 1.32 O ATOM 1132 ND2 ASN A 69 11.944 14.325 9.643 1.00 43.22 N ATOM 0 H ASN A 69 13.514 10.061 8.283 1.00 54.04 H new ATOM 0 HA ASN A 69 10.829 11.145 7.707 1.00 11.50 H new ATOM 0 HB2 ASN A 69 13.437 12.716 7.854 1.00 15.10 H new ATOM 0 HB3 ASN A 69 11.917 13.347 7.250 1.00 15.10 H new ATOM 0 HD21 ASN A 69 11.683 14.645 10.576 1.00 43.22 H new ATOM 0 HD22 ASN A 69 12.197 15.002 8.924 1.00 43.22 H new ATOM 1139 N ASN A 70 11.741 9.815 5.622 1.00 24.23 N ATOM 1140 CA ASN A 70 12.000 9.417 4.243 1.00 10.00 C ATOM 1141 C ASN A 70 10.696 9.110 3.512 1.00 42.22 C ATOM 1142 O ASN A 70 10.669 8.307 2.580 1.00 72.32 O ATOM 1143 CB ASN A 70 12.918 8.194 4.207 1.00 40.54 C ATOM 1144 CG ASN A 70 14.372 8.556 4.444 1.00 22.24 C ATOM 1145 OD1 ASN A 70 14.703 9.229 5.420 1.00 44.45 O ATOM 1146 ND2 ASN A 70 15.246 8.108 3.550 1.00 31.52 N ATOM 0 H ASN A 70 11.139 9.175 6.140 1.00 24.23 H new ATOM 0 HA ASN A 70 12.493 10.247 3.738 1.00 10.00 H new ATOM 0 HB2 ASN A 70 12.596 7.479 4.964 1.00 40.54 H new ATOM 0 HB3 ASN A 70 12.822 7.699 3.240 1.00 40.54 H new ATOM 0 HD21 ASN A 70 16.238 8.319 3.657 1.00 31.52 H new ATOM 0 HD22 ASN A 70 14.925 7.553 2.756 1.00 31.52 H new ATOM 1153 N CYS A 71 9.617 9.756 3.942 1.00 74.44 N ATOM 1154 CA CYS A 71 8.310 9.553 3.330 1.00 74.45 C ATOM 1155 C CYS A 71 7.708 10.881 2.880 1.00 42.03 C ATOM 1156 O CYS A 71 8.247 11.950 3.170 1.00 32.24 O ATOM 1157 CB CYS A 71 7.364 8.860 4.313 1.00 62.22 C ATOM 1158 SG CYS A 71 7.400 9.559 5.996 1.00 70.44 S ATOM 0 H CYS A 71 9.623 10.425 4.712 1.00 74.44 H new ATOM 0 HA CYS A 71 8.442 8.918 2.454 1.00 74.45 H new ATOM 0 HB2 CYS A 71 6.347 8.922 3.927 1.00 62.22 H new ATOM 0 HB3 CYS A 71 7.622 7.802 4.365 1.00 62.22 H new ATOM 1163 N HIS A 72 6.587 10.806 2.168 1.00 43.52 N ATOM 1164 CA HIS A 72 5.911 12.003 1.678 1.00 65.40 C ATOM 1165 C HIS A 72 4.397 11.833 1.736 1.00 52.11 C ATOM 1166 O HIS A 72 3.872 10.753 1.460 1.00 12.53 O ATOM 1167 CB HIS A 72 6.347 12.309 0.245 1.00 64.01 C ATOM 1168 CG HIS A 72 7.775 11.953 -0.036 1.00 41.23 C ATOM 1169 ND1 HIS A 72 8.702 12.866 -0.496 1.00 34.14 N ATOM 1170 CD2 HIS A 72 8.434 10.777 0.081 1.00 22.02 C ATOM 1171 CE1 HIS A 72 9.868 12.265 -0.650 1.00 2.30 C ATOM 1172 NE2 HIS A 72 9.732 10.997 -0.306 1.00 63.03 N ATOM 0 H HIS A 72 6.128 9.930 1.918 1.00 43.52 H new ATOM 0 HA HIS A 72 6.190 12.838 2.321 1.00 65.40 H new ATOM 0 HB2 HIS A 72 5.703 11.765 -0.446 1.00 64.01 H new ATOM 0 HB3 HIS A 72 6.201 13.371 0.048 1.00 64.01 H new ATOM 0 HD1 HIS A 72 8.516 13.851 -0.687 1.00 34.14 H new ATOM 0 HD2 HIS A 72 8.016 9.839 0.417 1.00 22.02 H new ATOM 0 HE1 HIS A 72 10.778 12.731 -0.998 1.00 2.30 H new ATOM 1181 N ARG A 73 3.699 12.905 2.097 1.00 3.25 N ATOM 1182 CA ARG A 73 2.245 12.873 2.194 1.00 52.14 C ATOM 1183 C ARG A 73 1.603 13.385 0.907 1.00 65.42 C ATOM 1184 O ARG A 73 1.871 14.504 0.470 1.00 4.21 O ATOM 1185 CB ARG A 73 1.773 13.715 3.381 1.00 12.03 C ATOM 1186 CG ARG A 73 0.285 13.589 3.663 1.00 41.51 C ATOM 1187 CD ARG A 73 -0.237 14.785 4.445 1.00 64.32 C ATOM 1188 NE ARG A 73 -0.055 16.037 3.716 1.00 60.43 N ATOM 1189 CZ ARG A 73 -0.743 17.144 3.973 1.00 72.44 C ATOM 1190 NH1 ARG A 73 -1.655 17.153 4.935 1.00 43.43 N ATOM 1191 NH2 ARG A 73 -0.521 18.243 3.266 1.00 51.53 N ATOM 0 H ARG A 73 4.117 13.806 2.327 1.00 3.25 H new ATOM 0 HA ARG A 73 1.939 11.838 2.346 1.00 52.14 H new ATOM 0 HB2 ARG A 73 2.329 13.418 4.270 1.00 12.03 H new ATOM 0 HB3 ARG A 73 2.011 14.762 3.191 1.00 12.03 H new ATOM 0 HG2 ARG A 73 -0.259 13.503 2.722 1.00 41.51 H new ATOM 0 HG3 ARG A 73 0.096 12.675 4.225 1.00 41.51 H new ATOM 0 HD2 ARG A 73 -1.296 14.642 4.662 1.00 64.32 H new ATOM 0 HD3 ARG A 73 0.279 14.845 5.403 1.00 64.32 H new ATOM 0 HE ARG A 73 0.638 16.063 2.968 1.00 60.43 H new ATOM 0 HH11 ARG A 73 -1.830 16.309 5.480 1.00 43.43 H new ATOM 0 HH12 ARG A 73 -2.182 18.004 5.130 1.00 43.43 H new ATOM 0 HH21 ARG A 73 0.179 18.239 2.524 1.00 51.53 H new ATOM 0 HH22 ARG A 73 -1.050 19.092 3.464 1.00 51.53 H new ATOM 1205 N SER A 74 0.757 12.556 0.305 1.00 53.24 N ATOM 1206 CA SER A 74 0.080 12.922 -0.934 1.00 44.25 C ATOM 1207 C SER A 74 -0.383 14.375 -0.892 1.00 45.20 C ATOM 1208 O SER A 74 -0.872 14.853 0.132 1.00 25.00 O ATOM 1209 CB SER A 74 -1.116 12.000 -1.179 1.00 43.34 C ATOM 1210 OG SER A 74 -1.696 12.245 -2.448 1.00 30.32 O ATOM 0 H SER A 74 0.524 11.627 0.655 1.00 53.24 H new ATOM 0 HA SER A 74 0.790 12.809 -1.753 1.00 44.25 H new ATOM 0 HB2 SER A 74 -0.796 10.960 -1.116 1.00 43.34 H new ATOM 0 HB3 SER A 74 -1.862 12.152 -0.399 1.00 43.34 H new ATOM 0 HG SER A 74 -2.597 12.613 -2.330 1.00 30.32 H new ATOM 1216 N ARG A 75 -0.224 15.074 -2.012 1.00 23.41 N ATOM 1217 CA ARG A 75 -0.624 16.472 -2.103 1.00 32.13 C ATOM 1218 C ARG A 75 -2.134 16.594 -2.289 1.00 2.41 C ATOM 1219 O ARG A 75 -2.744 17.579 -1.870 1.00 22.21 O ATOM 1220 CB ARG A 75 0.101 17.157 -3.263 1.00 53.12 C ATOM 1221 CG ARG A 75 -0.337 16.664 -4.632 1.00 32.54 C ATOM 1222 CD ARG A 75 0.352 17.431 -5.749 1.00 13.51 C ATOM 1223 NE ARG A 75 -0.400 18.619 -6.141 1.00 54.23 N ATOM 1224 CZ ARG A 75 0.123 19.625 -6.833 1.00 52.50 C ATOM 1225 NH1 ARG A 75 1.394 19.586 -7.208 1.00 31.20 N ATOM 1226 NH2 ARG A 75 -0.626 20.673 -7.152 1.00 60.22 N ATOM 0 H ARG A 75 0.179 14.694 -2.868 1.00 23.41 H new ATOM 0 HA ARG A 75 -0.349 16.965 -1.170 1.00 32.13 H new ATOM 0 HB2 ARG A 75 -0.069 18.232 -3.202 1.00 53.12 H new ATOM 0 HB3 ARG A 75 1.174 16.997 -3.155 1.00 53.12 H new ATOM 0 HG2 ARG A 75 -0.112 15.602 -4.726 1.00 32.54 H new ATOM 0 HG3 ARG A 75 -1.417 16.770 -4.729 1.00 32.54 H new ATOM 0 HD2 ARG A 75 1.350 17.725 -5.425 1.00 13.51 H new ATOM 0 HD3 ARG A 75 0.476 16.779 -6.614 1.00 13.51 H new ATOM 0 HE ARG A 75 -1.381 18.680 -5.869 1.00 54.23 H new ATOM 0 HH11 ARG A 75 1.973 18.782 -6.965 1.00 31.20 H new ATOM 0 HH12 ARG A 75 1.793 20.360 -7.739 1.00 31.20 H new ATOM 0 HH21 ARG A 75 -1.604 20.707 -6.866 1.00 60.22 H new ATOM 0 HH22 ARG A 75 -0.223 21.445 -7.683 1.00 60.22 H new ATOM 1240 N PHE A 76 -2.731 15.589 -2.920 1.00 22.02 N ATOM 1241 CA PHE A 76 -4.168 15.584 -3.163 1.00 52.23 C ATOM 1242 C PHE A 76 -4.818 14.340 -2.566 1.00 2.35 C ATOM 1243 O PHE A 76 -4.247 13.249 -2.606 1.00 12.23 O ATOM 1244 CB PHE A 76 -4.454 15.651 -4.665 1.00 62.13 C ATOM 1245 CG PHE A 76 -4.285 14.334 -5.367 1.00 5.34 C ATOM 1246 CD1 PHE A 76 -3.033 13.750 -5.481 1.00 10.41 C ATOM 1247 CD2 PHE A 76 -5.377 13.678 -5.911 1.00 54.04 C ATOM 1248 CE1 PHE A 76 -2.875 12.538 -6.125 1.00 4.23 C ATOM 1249 CE2 PHE A 76 -5.225 12.466 -6.556 1.00 3.23 C ATOM 1250 CZ PHE A 76 -3.971 11.895 -6.664 1.00 12.22 C ATOM 0 H PHE A 76 -2.241 14.767 -3.273 1.00 22.02 H new ATOM 0 HA PHE A 76 -4.594 16.463 -2.679 1.00 52.23 H new ATOM 0 HB2 PHE A 76 -5.473 16.007 -4.817 1.00 62.13 H new ATOM 0 HB3 PHE A 76 -3.789 16.385 -5.121 1.00 62.13 H new ATOM 0 HD1 PHE A 76 -2.171 14.248 -5.062 1.00 10.41 H new ATOM 0 HD2 PHE A 76 -6.359 14.120 -5.830 1.00 54.04 H new ATOM 0 HE1 PHE A 76 -1.894 12.094 -6.207 1.00 4.23 H new ATOM 0 HE2 PHE A 76 -6.085 11.965 -6.975 1.00 3.23 H new ATOM 0 HZ PHE A 76 -3.849 10.948 -7.169 1.00 12.22 H new ATOM 1260 N ARG A 77 -6.013 14.511 -2.012 1.00 11.34 N ATOM 1261 CA ARG A 77 -6.739 13.403 -1.403 1.00 33.43 C ATOM 1262 C ARG A 77 -7.341 12.495 -2.472 1.00 42.42 C ATOM 1263 O ARG A 77 -8.005 12.964 -3.397 1.00 15.44 O ATOM 1264 CB ARG A 77 -7.844 13.930 -0.486 1.00 54.15 C ATOM 1265 CG ARG A 77 -7.321 14.684 0.726 1.00 61.45 C ATOM 1266 CD ARG A 77 -8.405 14.871 1.776 1.00 1.10 C ATOM 1267 NE ARG A 77 -9.240 16.037 1.498 1.00 11.13 N ATOM 1268 CZ ARG A 77 -10.104 16.545 2.369 1.00 15.20 C ATOM 1269 NH1 ARG A 77 -10.247 15.994 3.567 1.00 42.23 N ATOM 1270 NH2 ARG A 77 -10.829 17.608 2.043 1.00 53.31 N ATOM 0 H ARG A 77 -6.500 15.407 -1.972 1.00 11.34 H new ATOM 0 HA ARG A 77 -6.032 12.821 -0.811 1.00 33.43 H new ATOM 0 HB2 ARG A 77 -8.497 14.588 -1.059 1.00 54.15 H new ATOM 0 HB3 ARG A 77 -8.454 13.092 -0.147 1.00 54.15 H new ATOM 0 HG2 ARG A 77 -6.482 14.140 1.160 1.00 61.45 H new ATOM 0 HG3 ARG A 77 -6.943 15.658 0.415 1.00 61.45 H new ATOM 0 HD2 ARG A 77 -9.030 13.979 1.815 1.00 1.10 H new ATOM 0 HD3 ARG A 77 -7.944 14.981 2.758 1.00 1.10 H new ATOM 0 HE ARG A 77 -9.155 16.485 0.586 1.00 11.13 H new ATOM 0 HH11 ARG A 77 -9.692 15.177 3.822 1.00 42.23 H new ATOM 0 HH12 ARG A 77 -10.912 16.387 4.233 1.00 42.23 H new ATOM 0 HH21 ARG A 77 -10.723 18.035 1.123 1.00 53.31 H new ATOM 0 HH22 ARG A 77 -11.492 17.998 2.713 1.00 53.31 H new ATOM 1284 N VAL A 78 -7.103 11.194 -2.340 1.00 10.23 N ATOM 1285 CA VAL A 78 -7.622 10.221 -3.294 1.00 2.23 C ATOM 1286 C VAL A 78 -8.486 9.175 -2.597 1.00 5.54 C ATOM 1287 O VAL A 78 -8.302 8.868 -1.418 1.00 74.14 O ATOM 1288 CB VAL A 78 -6.482 9.511 -4.047 1.00 34.21 C ATOM 1289 CG1 VAL A 78 -5.357 10.486 -4.356 1.00 43.05 C ATOM 1290 CG2 VAL A 78 -5.967 8.329 -3.240 1.00 62.54 C ATOM 0 H VAL A 78 -6.554 10.789 -1.582 1.00 10.23 H new ATOM 0 HA VAL A 78 -8.232 10.773 -4.010 1.00 2.23 H new ATOM 0 HB VAL A 78 -6.873 9.134 -4.992 1.00 34.21 H new ATOM 0 HG11 VAL A 78 -4.561 9.966 -4.888 1.00 43.05 H new ATOM 0 HG12 VAL A 78 -5.739 11.297 -4.976 1.00 43.05 H new ATOM 0 HG13 VAL A 78 -4.964 10.895 -3.425 1.00 43.05 H new ATOM 0 HG21 VAL A 78 -5.162 7.838 -3.787 1.00 62.54 H new ATOM 0 HG22 VAL A 78 -5.592 8.680 -2.279 1.00 62.54 H new ATOM 0 HG23 VAL A 78 -6.778 7.620 -3.075 1.00 62.54 H new ATOM 1300 N PRO A 79 -9.450 8.614 -3.341 1.00 23.34 N ATOM 1301 CA PRO A 79 -10.360 7.591 -2.816 1.00 54.32 C ATOM 1302 C PRO A 79 -9.655 6.266 -2.552 1.00 42.15 C ATOM 1303 O PRO A 79 -9.337 5.525 -3.484 1.00 42.14 O ATOM 1304 CB PRO A 79 -11.398 7.434 -3.931 1.00 45.30 C ATOM 1305 CG PRO A 79 -10.687 7.854 -5.171 1.00 10.34 C ATOM 1306 CD PRO A 79 -9.725 8.932 -4.752 1.00 23.23 C ATOM 0 HA PRO A 79 -10.787 7.880 -1.855 1.00 54.32 H new ATOM 0 HB2 PRO A 79 -11.748 6.404 -4.004 1.00 45.30 H new ATOM 0 HB3 PRO A 79 -12.274 8.056 -3.747 1.00 45.30 H new ATOM 0 HG2 PRO A 79 -10.159 7.014 -5.622 1.00 10.34 H new ATOM 0 HG3 PRO A 79 -11.390 8.226 -5.917 1.00 10.34 H new ATOM 0 HD2 PRO A 79 -8.815 8.915 -5.352 1.00 23.23 H new ATOM 0 HD3 PRO A 79 -10.161 9.925 -4.863 1.00 23.23 H new ATOM 1314 N LEU A 80 -9.413 5.972 -1.281 1.00 0.35 N ATOM 1315 CA LEU A 80 -8.745 4.734 -0.894 1.00 42.41 C ATOM 1316 C LEU A 80 -9.747 3.722 -0.348 1.00 14.24 C ATOM 1317 O LEU A 80 -10.927 4.031 -0.177 1.00 71.03 O ATOM 1318 CB LEU A 80 -7.667 5.018 0.153 1.00 44.43 C ATOM 1319 CG LEU A 80 -8.133 5.740 1.418 1.00 61.43 C ATOM 1320 CD1 LEU A 80 -9.354 5.050 2.006 1.00 13.44 C ATOM 1321 CD2 LEU A 80 -7.008 5.803 2.441 1.00 62.31 C ATOM 0 H LEU A 80 -9.669 6.574 -0.499 1.00 0.35 H new ATOM 0 HA LEU A 80 -8.277 4.310 -1.782 1.00 42.41 H new ATOM 0 HB2 LEU A 80 -7.214 4.071 0.445 1.00 44.43 H new ATOM 0 HB3 LEU A 80 -6.884 5.615 -0.314 1.00 44.43 H new ATOM 0 HG LEU A 80 -8.411 6.760 1.151 1.00 61.43 H new ATOM 0 HD11 LEU A 80 -9.672 5.577 2.906 1.00 13.44 H new ATOM 0 HD12 LEU A 80 -10.163 5.058 1.276 1.00 13.44 H new ATOM 0 HD13 LEU A 80 -9.103 4.020 2.259 1.00 13.44 H new ATOM 0 HD21 LEU A 80 -7.357 6.320 3.335 1.00 62.31 H new ATOM 0 HD22 LEU A 80 -6.699 4.792 2.705 1.00 62.31 H new ATOM 0 HD23 LEU A 80 -6.161 6.343 2.017 1.00 62.31 H new ATOM 1333 N LEU A 81 -9.269 2.514 -0.072 1.00 63.03 N ATOM 1334 CA LEU A 81 -10.122 1.456 0.458 1.00 75.22 C ATOM 1335 C LEU A 81 -9.446 0.746 1.627 1.00 75.32 C ATOM 1336 O LEU A 81 -8.273 0.381 1.550 1.00 30.44 O ATOM 1337 CB LEU A 81 -10.459 0.446 -0.641 1.00 30.10 C ATOM 1338 CG LEU A 81 -11.807 -0.262 -0.511 1.00 71.52 C ATOM 1339 CD1 LEU A 81 -11.898 -0.998 0.817 1.00 13.10 C ATOM 1340 CD2 LEU A 81 -12.950 0.734 -0.650 1.00 62.11 C ATOM 0 H LEU A 81 -8.295 2.243 -0.206 1.00 63.03 H new ATOM 0 HA LEU A 81 -11.044 1.913 0.818 1.00 75.22 H new ATOM 0 HB2 LEU A 81 -10.433 0.962 -1.601 1.00 30.10 H new ATOM 0 HB3 LEU A 81 -9.675 -0.311 -0.664 1.00 30.10 H new ATOM 0 HG LEU A 81 -11.890 -0.993 -1.315 1.00 71.52 H new ATOM 0 HD11 LEU A 81 -12.865 -1.496 0.892 1.00 13.10 H new ATOM 0 HD12 LEU A 81 -11.102 -1.740 0.877 1.00 13.10 H new ATOM 0 HD13 LEU A 81 -11.793 -0.286 1.636 1.00 13.10 H new ATOM 0 HD21 LEU A 81 -13.902 0.211 -0.555 1.00 62.11 H new ATOM 0 HD22 LEU A 81 -12.871 1.490 0.132 1.00 62.11 H new ATOM 0 HD23 LEU A 81 -12.897 1.215 -1.627 1.00 62.11 H new ATOM 1352 N HIS A 82 -10.196 0.552 2.707 1.00 23.30 N ATOM 1353 CA HIS A 82 -9.671 -0.118 3.892 1.00 42.24 C ATOM 1354 C HIS A 82 -10.184 -1.552 3.978 1.00 65.13 C ATOM 1355 O HIS A 82 -11.370 -1.811 3.778 1.00 62.31 O ATOM 1356 CB HIS A 82 -10.060 0.652 5.154 1.00 74.14 C ATOM 1357 CG HIS A 82 -9.531 2.053 5.189 1.00 21.31 C ATOM 1358 ND1 HIS A 82 -8.242 2.360 5.571 1.00 51.54 N ATOM 1359 CD2 HIS A 82 -10.123 3.232 4.886 1.00 60.43 C ATOM 1360 CE1 HIS A 82 -8.065 3.668 5.502 1.00 23.31 C ATOM 1361 NE2 HIS A 82 -9.192 4.220 5.089 1.00 64.23 N ATOM 0 H HIS A 82 -11.169 0.849 2.786 1.00 23.30 H new ATOM 0 HA HIS A 82 -8.584 -0.144 3.812 1.00 42.24 H new ATOM 0 HB2 HIS A 82 -11.147 0.681 5.231 1.00 74.14 H new ATOM 0 HB3 HIS A 82 -9.693 0.112 6.027 1.00 74.14 H new ATOM 0 HD1 HIS A 82 -7.536 1.684 5.861 1.00 51.54 H new ATOM 0 HD2 HIS A 82 -11.139 3.370 4.547 1.00 60.43 H new ATOM 0 HE1 HIS A 82 -7.154 4.196 5.742 1.00 23.31 H new ATOM 1370 N CYS A 83 -9.281 -2.481 4.277 1.00 42.04 N ATOM 1371 CA CYS A 83 -9.641 -3.889 4.388 1.00 60.10 C ATOM 1372 C CYS A 83 -9.029 -4.509 5.641 1.00 32.41 C ATOM 1373 O CYS A 83 -8.017 -5.205 5.571 1.00 4.42 O ATOM 1374 CB CYS A 83 -9.176 -4.656 3.148 1.00 14.13 C ATOM 1375 SG CYS A 83 -10.079 -4.225 1.625 1.00 15.54 S ATOM 0 H CYS A 83 -8.295 -2.283 4.447 1.00 42.04 H new ATOM 0 HA CYS A 83 -10.726 -3.956 4.463 1.00 60.10 H new ATOM 0 HB2 CYS A 83 -8.114 -4.466 2.994 1.00 14.13 H new ATOM 0 HB3 CYS A 83 -9.286 -5.725 3.333 1.00 14.13 H new ATOM 1380 N ASP A 84 -9.653 -4.251 6.786 1.00 65.55 N ATOM 1381 CA ASP A 84 -9.172 -4.785 8.055 1.00 43.51 C ATOM 1382 C ASP A 84 -9.666 -6.213 8.267 1.00 52.00 C ATOM 1383 O ASP A 84 -10.843 -6.510 8.058 1.00 23.33 O ATOM 1384 CB ASP A 84 -9.629 -3.896 9.212 1.00 12.11 C ATOM 1385 CG ASP A 84 -9.561 -4.606 10.550 1.00 24.44 C ATOM 1386 OD1 ASP A 84 -10.479 -5.398 10.850 1.00 71.25 O ATOM 1387 OD2 ASP A 84 -8.588 -4.370 11.298 1.00 11.02 O ATOM 0 H ASP A 84 -10.492 -3.676 6.861 1.00 65.55 H new ATOM 0 HA ASP A 84 -8.082 -4.798 8.026 1.00 43.51 H new ATOM 0 HB2 ASP A 84 -9.007 -3.002 9.247 1.00 12.11 H new ATOM 0 HB3 ASP A 84 -10.652 -3.566 9.031 1.00 12.11 H new ATOM 1392 N LEU A 85 -8.761 -7.092 8.681 1.00 2.33 N ATOM 1393 CA LEU A 85 -9.104 -8.489 8.922 1.00 61.43 C ATOM 1394 C LEU A 85 -10.206 -8.607 9.970 1.00 53.53 C ATOM 1395 O LEU A 85 -9.988 -8.321 11.148 1.00 62.14 O ATOM 1396 CB LEU A 85 -7.868 -9.268 9.374 1.00 73.24 C ATOM 1397 CG LEU A 85 -7.919 -10.783 9.170 1.00 45.35 C ATOM 1398 CD1 LEU A 85 -7.887 -11.124 7.688 1.00 41.35 C ATOM 1399 CD2 LEU A 85 -6.766 -11.458 9.899 1.00 41.24 C ATOM 0 H LEU A 85 -7.783 -6.862 8.857 1.00 2.33 H new ATOM 0 HA LEU A 85 -9.471 -8.913 7.987 1.00 61.43 H new ATOM 0 HB2 LEU A 85 -7.002 -8.878 8.839 1.00 73.24 H new ATOM 0 HB3 LEU A 85 -7.705 -9.069 10.433 1.00 73.24 H new ATOM 0 HG LEU A 85 -8.855 -11.155 9.587 1.00 45.35 H new ATOM 0 HD11 LEU A 85 -7.924 -12.206 7.563 1.00 41.35 H new ATOM 0 HD12 LEU A 85 -8.746 -10.672 7.192 1.00 41.35 H new ATOM 0 HD13 LEU A 85 -6.968 -10.739 7.246 1.00 41.35 H new ATOM 0 HD21 LEU A 85 -6.818 -12.536 9.743 1.00 41.24 H new ATOM 0 HD22 LEU A 85 -5.820 -11.080 9.512 1.00 41.24 H new ATOM 0 HD23 LEU A 85 -6.833 -11.242 10.965 1.00 41.24 H new ATOM 1411 N ILE A 86 -11.387 -9.031 9.535 1.00 35.32 N ATOM 1412 CA ILE A 86 -12.521 -9.190 10.438 1.00 73.33 C ATOM 1413 C ILE A 86 -12.326 -10.389 11.358 1.00 11.55 C ATOM 1414 O ILE A 86 -13.191 -10.703 12.176 1.00 63.05 O ATOM 1415 CB ILE A 86 -13.839 -9.362 9.660 1.00 72.15 C ATOM 1416 CG1 ILE A 86 -14.128 -8.117 8.819 1.00 41.54 C ATOM 1417 CG2 ILE A 86 -14.988 -9.638 10.619 1.00 65.12 C ATOM 1418 CD1 ILE A 86 -15.114 -8.359 7.699 1.00 35.44 C ATOM 0 H ILE A 86 -11.584 -9.271 8.563 1.00 35.32 H new ATOM 0 HA ILE A 86 -12.578 -8.281 11.037 1.00 73.33 H new ATOM 0 HB ILE A 86 -13.738 -10.215 8.989 1.00 72.15 H new ATOM 0 HG12 ILE A 86 -14.514 -7.332 9.469 1.00 41.54 H new ATOM 0 HG13 ILE A 86 -13.193 -7.750 8.396 1.00 41.54 H new ATOM 0 HG21 ILE A 86 -15.913 -9.757 10.054 1.00 65.12 H new ATOM 0 HG22 ILE A 86 -14.784 -10.551 11.178 1.00 65.12 H new ATOM 0 HG23 ILE A 86 -15.091 -8.804 11.313 1.00 65.12 H new ATOM 0 HD11 ILE A 86 -15.270 -7.433 7.146 1.00 35.44 H new ATOM 0 HD12 ILE A 86 -14.721 -9.122 7.027 1.00 35.44 H new ATOM 0 HD13 ILE A 86 -16.063 -8.697 8.116 1.00 35.44 H new ATOM 1430 N ASN A 87 -11.185 -11.054 11.221 1.00 24.11 N ATOM 1431 CA ASN A 87 -10.875 -12.219 12.042 1.00 23.35 C ATOM 1432 C ASN A 87 -9.528 -12.052 12.738 1.00 25.24 C ATOM 1433 O ASN A 87 -8.498 -12.544 12.277 1.00 23.44 O ATOM 1434 CB ASN A 87 -10.864 -13.486 11.185 1.00 34.52 C ATOM 1435 CG ASN A 87 -9.985 -13.346 9.957 1.00 10.24 C ATOM 1436 OD1 ASN A 87 -8.758 -13.399 10.051 1.00 72.13 O ATOM 1437 ND2 ASN A 87 -10.609 -13.166 8.799 1.00 32.35 N ATOM 0 H ASN A 87 -10.459 -10.807 10.549 1.00 24.11 H new ATOM 0 HA ASN A 87 -11.649 -12.310 12.804 1.00 23.35 H new ATOM 0 HB2 ASN A 87 -10.513 -14.325 11.786 1.00 34.52 H new ATOM 0 HB3 ASN A 87 -11.882 -13.720 10.875 1.00 34.52 H new ATOM 0 HD21 ASN A 87 -10.070 -13.065 7.939 1.00 32.35 H new ATOM 0 HD22 ASN A 87 -11.628 -13.129 8.769 1.00 32.35 H new ATOM 1444 N PRO A 88 -9.533 -11.342 13.876 1.00 32.41 N ATOM 1445 CA PRO A 88 -8.320 -11.094 14.661 1.00 43.23 C ATOM 1446 C PRO A 88 -7.799 -12.358 15.337 1.00 32.34 C ATOM 1447 O PRO A 88 -8.464 -12.932 16.198 1.00 33.44 O ATOM 1448 CB PRO A 88 -8.777 -10.076 15.709 1.00 45.01 C ATOM 1449 CG PRO A 88 -10.243 -10.305 15.845 1.00 2.53 C ATOM 1450 CD PRO A 88 -10.724 -10.726 14.484 1.00 13.01 C ATOM 0 HA PRO A 88 -7.496 -10.744 14.039 1.00 43.23 H new ATOM 0 HB2 PRO A 88 -8.263 -10.227 16.658 1.00 45.01 H new ATOM 0 HB3 PRO A 88 -8.564 -9.056 15.390 1.00 45.01 H new ATOM 0 HG2 PRO A 88 -10.450 -11.075 16.588 1.00 2.53 H new ATOM 0 HG3 PRO A 88 -10.751 -9.399 16.175 1.00 2.53 H new ATOM 0 HD2 PRO A 88 -11.552 -11.432 14.551 1.00 13.01 H new ATOM 0 HD3 PRO A 88 -11.078 -9.875 13.902 1.00 13.01 H new ATOM 1458 N GLY A 89 -6.604 -12.786 14.942 1.00 52.22 N ATOM 1459 CA GLY A 89 -6.015 -13.979 15.521 1.00 42.30 C ATOM 1460 C GLY A 89 -6.061 -15.164 14.579 1.00 21.11 C ATOM 1461 O GLY A 89 -5.549 -16.238 14.895 1.00 10.13 O ATOM 0 H GLY A 89 -6.033 -12.328 14.231 1.00 52.22 H new ATOM 0 HA2 GLY A 89 -4.979 -13.774 15.792 1.00 42.30 H new ATOM 0 HA3 GLY A 89 -6.542 -14.230 16.442 1.00 42.30 H new ATOM 1465 N ALA A 90 -6.677 -14.971 13.417 1.00 20.45 N ATOM 1466 CA ALA A 90 -6.789 -16.034 12.426 1.00 24.34 C ATOM 1467 C ALA A 90 -5.768 -15.852 11.308 1.00 11.22 C ATOM 1468 O ALA A 90 -5.479 -14.728 10.898 1.00 74.35 O ATOM 1469 CB ALA A 90 -8.198 -16.077 11.854 1.00 33.01 C ATOM 0 H ALA A 90 -7.106 -14.088 13.139 1.00 20.45 H new ATOM 0 HA ALA A 90 -6.581 -16.982 12.922 1.00 24.34 H new ATOM 0 HB1 ALA A 90 -8.267 -16.876 11.115 1.00 33.01 H new ATOM 0 HB2 ALA A 90 -8.911 -16.263 12.657 1.00 33.01 H new ATOM 0 HB3 ALA A 90 -8.427 -15.123 11.379 1.00 33.01 H new ATOM 1475 N GLN A 91 -5.223 -16.963 10.823 1.00 14.01 N ATOM 1476 CA GLN A 91 -4.233 -16.923 9.754 1.00 4.01 C ATOM 1477 C GLN A 91 -4.591 -17.906 8.644 1.00 25.20 C ATOM 1478 O GLN A 91 -3.870 -18.873 8.402 1.00 32.52 O ATOM 1479 CB GLN A 91 -2.843 -17.243 10.306 1.00 10.20 C ATOM 1480 CG GLN A 91 -2.090 -16.019 10.804 1.00 23.43 C ATOM 1481 CD GLN A 91 -0.913 -16.380 11.690 1.00 54.50 C ATOM 1482 OE1 GLN A 91 -0.462 -17.525 11.707 1.00 3.31 O ATOM 1483 NE2 GLN A 91 -0.410 -15.401 12.433 1.00 14.15 N ATOM 0 H GLN A 91 -5.450 -17.901 11.153 1.00 14.01 H new ATOM 0 HA GLN A 91 -4.227 -15.917 9.335 1.00 4.01 H new ATOM 0 HB2 GLN A 91 -2.941 -17.957 11.124 1.00 10.20 H new ATOM 0 HB3 GLN A 91 -2.255 -17.729 9.528 1.00 10.20 H new ATOM 0 HG2 GLN A 91 -1.734 -15.443 9.950 1.00 23.43 H new ATOM 0 HG3 GLN A 91 -2.774 -15.377 11.358 1.00 23.43 H new ATOM 0 HE21 GLN A 91 -0.816 -14.466 12.387 1.00 14.15 H new ATOM 0 HE22 GLN A 91 0.382 -15.584 13.049 1.00 14.15 H new ATOM 1492 N ASN A 92 -5.708 -17.651 7.972 1.00 74.41 N ATOM 1493 CA ASN A 92 -6.163 -18.515 6.887 1.00 1.21 C ATOM 1494 C ASN A 92 -6.450 -17.702 5.629 1.00 64.31 C ATOM 1495 O ASN A 92 -7.415 -16.940 5.577 1.00 31.21 O ATOM 1496 CB ASN A 92 -7.417 -19.282 7.310 1.00 60.44 C ATOM 1497 CG ASN A 92 -7.346 -19.758 8.748 1.00 12.13 C ATOM 1498 OD1 ASN A 92 -6.430 -20.486 9.129 1.00 62.21 O ATOM 1499 ND2 ASN A 92 -8.318 -19.348 9.555 1.00 70.02 N ATOM 0 H ASN A 92 -6.316 -16.853 8.159 1.00 74.41 H new ATOM 0 HA ASN A 92 -5.368 -19.227 6.664 1.00 1.21 H new ATOM 0 HB2 ASN A 92 -8.290 -18.642 7.185 1.00 60.44 H new ATOM 0 HB3 ASN A 92 -7.554 -20.140 6.652 1.00 60.44 H new ATOM 0 HD21 ASN A 92 -8.324 -19.637 10.533 1.00 70.02 H new ATOM 0 HD22 ASN A 92 -9.058 -18.745 9.196 1.00 70.02 H new ATOM 1506 N ILE A 93 -5.604 -17.870 4.617 1.00 35.33 N ATOM 1507 CA ILE A 93 -5.769 -17.154 3.358 1.00 11.31 C ATOM 1508 C ILE A 93 -7.007 -17.635 2.610 1.00 73.34 C ATOM 1509 O ILE A 93 -7.731 -16.840 2.010 1.00 1.15 O ATOM 1510 CB ILE A 93 -4.536 -17.321 2.451 1.00 71.40 C ATOM 1511 CG1 ILE A 93 -3.936 -18.718 2.620 1.00 10.11 C ATOM 1512 CG2 ILE A 93 -3.499 -16.252 2.763 1.00 54.11 C ATOM 1513 CD1 ILE A 93 -3.006 -19.117 1.496 1.00 24.02 C ATOM 0 H ILE A 93 -4.798 -18.495 4.645 1.00 35.33 H new ATOM 0 HA ILE A 93 -5.886 -16.099 3.607 1.00 11.31 H new ATOM 0 HB ILE A 93 -4.849 -17.204 1.414 1.00 71.40 H new ATOM 0 HG12 ILE A 93 -3.391 -18.759 3.563 1.00 10.11 H new ATOM 0 HG13 ILE A 93 -4.744 -19.446 2.687 1.00 10.11 H new ATOM 0 HG21 ILE A 93 -2.634 -16.384 2.113 1.00 54.11 H new ATOM 0 HG22 ILE A 93 -3.932 -15.266 2.595 1.00 54.11 H new ATOM 0 HG23 ILE A 93 -3.188 -16.340 3.804 1.00 54.11 H new ATOM 0 HD11 ILE A 93 -2.618 -20.118 1.683 1.00 24.02 H new ATOM 0 HD12 ILE A 93 -3.551 -19.109 0.552 1.00 24.02 H new ATOM 0 HD13 ILE A 93 -2.177 -18.411 1.442 1.00 24.02 H new ATOM 1525 N SER A 94 -7.245 -18.942 2.649 1.00 64.13 N ATOM 1526 CA SER A 94 -8.395 -19.530 1.972 1.00 25.30 C ATOM 1527 C SER A 94 -9.681 -18.810 2.362 1.00 34.31 C ATOM 1528 O SER A 94 -10.466 -18.409 1.503 1.00 3.41 O ATOM 1529 CB SER A 94 -8.507 -21.019 2.311 1.00 42.24 C ATOM 1530 OG SER A 94 -8.567 -21.219 3.712 1.00 42.25 O ATOM 0 H SER A 94 -6.657 -19.614 3.142 1.00 64.13 H new ATOM 0 HA SER A 94 -8.249 -19.419 0.898 1.00 25.30 H new ATOM 0 HB2 SER A 94 -9.398 -21.436 1.842 1.00 42.24 H new ATOM 0 HB3 SER A 94 -7.651 -21.554 1.900 1.00 42.24 H new ATOM 0 HG SER A 94 -8.640 -22.177 3.903 1.00 42.25 H new ATOM 1536 N ASN A 95 -9.891 -18.651 3.665 1.00 71.44 N ATOM 1537 CA ASN A 95 -11.084 -17.981 4.170 1.00 54.42 C ATOM 1538 C ASN A 95 -10.711 -16.722 4.950 1.00 65.43 C ATOM 1539 O ASN A 95 -11.118 -16.547 6.097 1.00 13.42 O ATOM 1540 CB ASN A 95 -11.888 -18.928 5.063 1.00 5.33 C ATOM 1541 CG ASN A 95 -12.667 -19.954 4.264 1.00 1.21 C ATOM 1542 OD1 ASN A 95 -13.761 -19.675 3.774 1.00 41.31 O ATOM 1543 ND2 ASN A 95 -12.105 -21.150 4.131 1.00 71.12 N ATOM 0 H ASN A 95 -9.251 -18.977 4.390 1.00 71.44 H new ATOM 0 HA ASN A 95 -11.696 -17.691 3.316 1.00 54.42 H new ATOM 0 HB2 ASN A 95 -11.211 -19.441 5.746 1.00 5.33 H new ATOM 0 HB3 ASN A 95 -12.578 -18.347 5.675 1.00 5.33 H new ATOM 0 HD21 ASN A 95 -12.582 -21.882 3.605 1.00 71.12 H new ATOM 0 HD22 ASN A 95 -11.196 -21.336 4.555 1.00 71.12 H new ATOM 1550 N CYS A 96 -9.934 -15.850 4.316 1.00 20.24 N ATOM 1551 CA CYS A 96 -9.505 -14.608 4.948 1.00 60.10 C ATOM 1552 C CYS A 96 -10.537 -13.504 4.733 1.00 61.42 C ATOM 1553 O CYS A 96 -10.639 -12.940 3.644 1.00 70.02 O ATOM 1554 CB CYS A 96 -8.150 -14.170 4.391 1.00 44.51 C ATOM 1555 SG CYS A 96 -7.117 -13.257 5.583 1.00 53.32 S ATOM 0 H CYS A 96 -9.589 -15.981 3.365 1.00 20.24 H new ATOM 0 HA CYS A 96 -9.409 -14.788 6.019 1.00 60.10 H new ATOM 0 HB2 CYS A 96 -7.605 -15.052 4.055 1.00 44.51 H new ATOM 0 HB3 CYS A 96 -8.315 -13.544 3.514 1.00 44.51 H new ATOM 1560 N ARG A 97 -11.299 -13.202 5.779 1.00 43.22 N ATOM 1561 CA ARG A 97 -12.323 -12.167 5.705 1.00 42.31 C ATOM 1562 C ARG A 97 -11.729 -10.793 6.000 1.00 43.51 C ATOM 1563 O ARG A 97 -10.713 -10.678 6.686 1.00 22.02 O ATOM 1564 CB ARG A 97 -13.454 -12.467 6.690 1.00 21.41 C ATOM 1565 CG ARG A 97 -14.286 -13.681 6.310 1.00 21.15 C ATOM 1566 CD ARG A 97 -13.720 -14.956 6.918 1.00 74.31 C ATOM 1567 NE ARG A 97 -14.753 -15.966 7.132 1.00 10.42 N ATOM 1568 CZ ARG A 97 -15.160 -16.811 6.192 1.00 31.34 C ATOM 1569 NH1 ARG A 97 -14.624 -16.769 4.980 1.00 11.03 N ATOM 1570 NH2 ARG A 97 -16.106 -17.702 6.464 1.00 42.54 N ATOM 0 H ARG A 97 -11.227 -13.659 6.688 1.00 43.22 H new ATOM 0 HA ARG A 97 -12.725 -12.161 4.692 1.00 42.31 H new ATOM 0 HB2 ARG A 97 -13.029 -12.624 7.681 1.00 21.41 H new ATOM 0 HB3 ARG A 97 -14.106 -11.596 6.757 1.00 21.41 H new ATOM 0 HG2 ARG A 97 -15.313 -13.540 6.648 1.00 21.15 H new ATOM 0 HG3 ARG A 97 -14.318 -13.777 5.225 1.00 21.15 H new ATOM 0 HD2 ARG A 97 -12.949 -15.359 6.261 1.00 74.31 H new ATOM 0 HD3 ARG A 97 -13.239 -14.722 7.868 1.00 74.31 H new ATOM 0 HE ARG A 97 -15.185 -16.026 8.054 1.00 10.42 H new ATOM 0 HH11 ARG A 97 -13.897 -16.086 4.767 1.00 11.03 H new ATOM 0 HH12 ARG A 97 -14.939 -17.420 4.260 1.00 11.03 H new ATOM 0 HH21 ARG A 97 -16.520 -17.738 7.395 1.00 42.54 H new ATOM 0 HH22 ARG A 97 -16.418 -18.351 5.742 1.00 42.54 H new ATOM 1584 N TYR A 98 -12.369 -9.753 5.476 1.00 52.42 N ATOM 1585 CA TYR A 98 -11.902 -8.386 5.680 1.00 34.42 C ATOM 1586 C TYR A 98 -13.069 -7.404 5.659 1.00 51.10 C ATOM 1587 O TYR A 98 -14.109 -7.672 5.060 1.00 74.40 O ATOM 1588 CB TYR A 98 -10.882 -8.007 4.605 1.00 65.10 C ATOM 1589 CG TYR A 98 -9.513 -8.609 4.830 1.00 31.44 C ATOM 1590 CD1 TYR A 98 -8.613 -8.026 5.714 1.00 70.43 C ATOM 1591 CD2 TYR A 98 -9.120 -9.761 4.160 1.00 73.41 C ATOM 1592 CE1 TYR A 98 -7.361 -8.572 5.922 1.00 71.34 C ATOM 1593 CE2 TYR A 98 -7.871 -10.315 4.363 1.00 1.11 C ATOM 1594 CZ TYR A 98 -6.995 -9.717 5.245 1.00 70.12 C ATOM 1595 OH TYR A 98 -5.749 -10.264 5.448 1.00 30.23 O ATOM 0 H TYR A 98 -13.212 -9.830 4.907 1.00 52.42 H new ATOM 0 HA TYR A 98 -11.424 -8.334 6.658 1.00 34.42 H new ATOM 0 HB2 TYR A 98 -11.255 -8.328 3.633 1.00 65.10 H new ATOM 0 HB3 TYR A 98 -10.791 -6.921 4.569 1.00 65.10 H new ATOM 0 HD1 TYR A 98 -8.897 -7.131 6.247 1.00 70.43 H new ATOM 0 HD2 TYR A 98 -9.803 -10.232 3.468 1.00 73.41 H new ATOM 0 HE1 TYR A 98 -6.673 -8.105 6.611 1.00 71.34 H new ATOM 0 HE2 TYR A 98 -7.582 -11.211 3.834 1.00 1.11 H new ATOM 0 HH TYR A 98 -5.369 -9.912 6.280 1.00 30.23 H new ATOM 1605 N ALA A 99 -12.886 -6.264 6.316 1.00 3.02 N ATOM 1606 CA ALA A 99 -13.921 -5.239 6.372 1.00 50.55 C ATOM 1607 C ALA A 99 -13.617 -4.100 5.404 1.00 55.33 C ATOM 1608 O ALA A 99 -12.582 -3.443 5.509 1.00 1.53 O ATOM 1609 CB ALA A 99 -14.060 -4.706 7.790 1.00 55.12 C ATOM 0 H ALA A 99 -12.030 -6.027 6.817 1.00 3.02 H new ATOM 0 HA ALA A 99 -14.865 -5.694 6.073 1.00 50.55 H new ATOM 0 HB1 ALA A 99 -14.836 -3.941 7.817 1.00 55.12 H new ATOM 0 HB2 ALA A 99 -14.331 -5.522 8.460 1.00 55.12 H new ATOM 0 HB3 ALA A 99 -13.113 -4.272 8.110 1.00 55.12 H new ATOM 1615 N ASP A 100 -14.526 -3.873 4.462 1.00 74.41 N ATOM 1616 CA ASP A 100 -14.356 -2.813 3.476 1.00 70.15 C ATOM 1617 C ASP A 100 -14.849 -1.477 4.023 1.00 63.11 C ATOM 1618 O ASP A 100 -15.915 -1.400 4.634 1.00 61.30 O ATOM 1619 CB ASP A 100 -15.108 -3.159 2.189 1.00 43.50 C ATOM 1620 CG ASP A 100 -16.610 -3.026 2.342 1.00 55.31 C ATOM 1621 OD1 ASP A 100 -17.160 -3.588 3.313 1.00 50.31 O ATOM 1622 OD2 ASP A 100 -17.235 -2.359 1.491 1.00 12.33 O ATOM 0 H ASP A 100 -15.388 -4.409 4.361 1.00 74.41 H new ATOM 0 HA ASP A 100 -13.292 -2.724 3.254 1.00 70.15 H new ATOM 0 HB2 ASP A 100 -14.768 -2.505 1.386 1.00 43.50 H new ATOM 0 HB3 ASP A 100 -14.865 -4.179 1.893 1.00 43.50 H new ATOM 1627 N ARG A 101 -14.065 -0.427 3.800 1.00 2.32 N ATOM 1628 CA ARG A 101 -14.421 0.906 4.273 1.00 65.34 C ATOM 1629 C ARG A 101 -13.858 1.980 3.346 1.00 61.12 C ATOM 1630 O ARG A 101 -12.662 2.271 3.346 1.00 23.25 O ATOM 1631 CB ARG A 101 -13.899 1.122 5.695 1.00 25.42 C ATOM 1632 CG ARG A 101 -14.755 2.067 6.521 1.00 55.42 C ATOM 1633 CD ARG A 101 -14.312 3.512 6.350 1.00 61.40 C ATOM 1634 NE ARG A 101 -15.121 4.431 7.147 1.00 33.40 N ATOM 1635 CZ ARG A 101 -14.799 5.702 7.355 1.00 50.30 C ATOM 1636 NH1 ARG A 101 -13.690 6.203 6.829 1.00 71.24 N ATOM 1637 NH2 ARG A 101 -15.587 6.475 8.092 1.00 40.05 N ATOM 0 H ARG A 101 -13.180 -0.473 3.295 1.00 2.32 H new ATOM 0 HA ARG A 101 -15.508 0.985 4.276 1.00 65.34 H new ATOM 0 HB2 ARG A 101 -13.843 0.159 6.202 1.00 25.42 H new ATOM 0 HB3 ARG A 101 -12.884 1.515 5.644 1.00 25.42 H new ATOM 0 HG2 ARG A 101 -15.799 1.968 6.224 1.00 55.42 H new ATOM 0 HG3 ARG A 101 -14.695 1.789 7.573 1.00 55.42 H new ATOM 0 HD2 ARG A 101 -13.265 3.607 6.639 1.00 61.40 H new ATOM 0 HD3 ARG A 101 -14.379 3.789 5.298 1.00 61.40 H new ATOM 0 HE ARG A 101 -15.980 4.077 7.567 1.00 33.40 H new ATOM 0 HH11 ARG A 101 -13.082 5.612 6.263 1.00 71.24 H new ATOM 0 HH12 ARG A 101 -13.445 7.180 6.990 1.00 71.24 H new ATOM 0 HH21 ARG A 101 -16.441 6.093 8.499 1.00 40.05 H new ATOM 0 HH22 ARG A 101 -15.339 7.451 8.251 1.00 40.05 H new ATOM 1651 N PRO A 102 -14.741 2.583 2.535 1.00 23.22 N ATOM 1652 CA PRO A 102 -14.356 3.633 1.588 1.00 51.14 C ATOM 1653 C PRO A 102 -13.964 4.930 2.289 1.00 53.25 C ATOM 1654 O PRO A 102 -14.448 5.228 3.379 1.00 4.22 O ATOM 1655 CB PRO A 102 -15.621 3.838 0.752 1.00 50.32 C ATOM 1656 CG PRO A 102 -16.736 3.401 1.639 1.00 62.13 C ATOM 1657 CD PRO A 102 -16.182 2.286 2.481 1.00 3.24 C ATOM 0 HA PRO A 102 -13.482 3.352 1.001 1.00 51.14 H new ATOM 0 HB2 PRO A 102 -15.736 4.881 0.457 1.00 50.32 H new ATOM 0 HB3 PRO A 102 -15.590 3.249 -0.164 1.00 50.32 H new ATOM 0 HG2 PRO A 102 -17.085 4.225 2.262 1.00 62.13 H new ATOM 0 HG3 PRO A 102 -17.590 3.061 1.053 1.00 62.13 H new ATOM 0 HD2 PRO A 102 -16.627 2.274 3.476 1.00 3.24 H new ATOM 0 HD3 PRO A 102 -16.375 1.311 2.034 1.00 3.24 H new ATOM 1665 N GLY A 103 -13.085 5.699 1.653 1.00 20.50 N ATOM 1666 CA GLY A 103 -12.644 6.955 2.230 1.00 13.13 C ATOM 1667 C GLY A 103 -11.762 7.749 1.286 1.00 54.01 C ATOM 1668 O GLY A 103 -11.089 7.179 0.427 1.00 15.23 O ATOM 0 H GLY A 103 -12.671 5.474 0.748 1.00 20.50 H new ATOM 0 HA2 GLY A 103 -13.515 7.553 2.499 1.00 13.13 H new ATOM 0 HA3 GLY A 103 -12.097 6.756 3.152 1.00 13.13 H new ATOM 1672 N ARG A 104 -11.767 9.068 1.444 1.00 53.32 N ATOM 1673 CA ARG A 104 -10.965 9.942 0.596 1.00 20.14 C ATOM 1674 C ARG A 104 -9.991 10.767 1.434 1.00 13.25 C ATOM 1675 O ARG A 104 -10.395 11.686 2.147 1.00 62.31 O ATOM 1676 CB ARG A 104 -11.868 10.871 -0.216 1.00 61.31 C ATOM 1677 CG ARG A 104 -11.185 11.475 -1.432 1.00 23.31 C ATOM 1678 CD ARG A 104 -12.055 12.532 -2.092 1.00 52.03 C ATOM 1679 NE ARG A 104 -11.285 13.401 -2.978 1.00 1.22 N ATOM 1680 CZ ARG A 104 -11.792 14.466 -3.588 1.00 34.00 C ATOM 1681 NH1 ARG A 104 -13.065 14.792 -3.409 1.00 53.43 N ATOM 1682 NH2 ARG A 104 -11.028 15.207 -4.378 1.00 52.55 N ATOM 0 H ARG A 104 -12.317 9.555 2.151 1.00 53.32 H new ATOM 0 HA ARG A 104 -10.391 9.316 -0.088 1.00 20.14 H new ATOM 0 HB2 ARG A 104 -12.747 10.315 -0.542 1.00 61.31 H new ATOM 0 HB3 ARG A 104 -12.221 11.676 0.429 1.00 61.31 H new ATOM 0 HG2 ARG A 104 -10.235 11.918 -1.134 1.00 23.31 H new ATOM 0 HG3 ARG A 104 -10.958 10.688 -2.151 1.00 23.31 H new ATOM 0 HD2 ARG A 104 -12.847 12.046 -2.661 1.00 52.03 H new ATOM 0 HD3 ARG A 104 -12.538 13.135 -1.323 1.00 52.03 H new ATOM 0 HE ARG A 104 -10.303 13.177 -3.137 1.00 1.22 H new ATOM 0 HH11 ARG A 104 -13.656 14.224 -2.802 1.00 53.43 H new ATOM 0 HH12 ARG A 104 -13.453 15.610 -3.878 1.00 53.43 H new ATOM 0 HH21 ARG A 104 -10.048 14.960 -4.518 1.00 52.55 H new ATOM 0 HH22 ARG A 104 -11.420 16.025 -4.846 1.00 52.55 H new ATOM 1696 N ARG A 105 -8.709 10.432 1.342 1.00 22.54 N ATOM 1697 CA ARG A 105 -7.679 11.139 2.093 1.00 44.32 C ATOM 1698 C ARG A 105 -6.299 10.891 1.489 1.00 55.20 C ATOM 1699 O ARG A 105 -6.168 10.204 0.476 1.00 23.24 O ATOM 1700 CB ARG A 105 -7.692 10.702 3.558 1.00 22.44 C ATOM 1701 CG ARG A 105 -8.454 11.649 4.470 1.00 45.42 C ATOM 1702 CD ARG A 105 -9.105 10.907 5.627 1.00 70.33 C ATOM 1703 NE ARG A 105 -10.135 11.710 6.281 1.00 5.44 N ATOM 1704 CZ ARG A 105 -10.991 11.221 7.172 1.00 1.03 C ATOM 1705 NH1 ARG A 105 -10.942 9.940 7.511 1.00 1.21 N ATOM 1706 NH2 ARG A 105 -11.899 12.016 7.725 1.00 22.43 N ATOM 0 H ARG A 105 -8.358 9.675 0.755 1.00 22.54 H new ATOM 0 HA ARG A 105 -7.895 12.206 2.039 1.00 44.32 H new ATOM 0 HB2 ARG A 105 -8.135 9.709 3.628 1.00 22.44 H new ATOM 0 HB3 ARG A 105 -6.665 10.618 3.912 1.00 22.44 H new ATOM 0 HG2 ARG A 105 -7.774 12.407 4.859 1.00 45.42 H new ATOM 0 HG3 ARG A 105 -9.219 12.172 3.896 1.00 45.42 H new ATOM 0 HD2 ARG A 105 -9.546 9.980 5.261 1.00 70.33 H new ATOM 0 HD3 ARG A 105 -8.343 10.631 6.356 1.00 70.33 H new ATOM 0 HE ARG A 105 -10.201 12.699 6.041 1.00 5.44 H new ATOM 0 HH11 ARG A 105 -10.246 9.327 7.088 1.00 1.21 H new ATOM 0 HH12 ARG A 105 -11.601 9.568 8.195 1.00 1.21 H new ATOM 0 HH21 ARG A 105 -11.939 13.002 7.466 1.00 22.43 H new ATOM 0 HH22 ARG A 105 -12.556 11.641 8.409 1.00 22.43 H new ATOM 1720 N PHE A 106 -5.273 11.455 2.119 1.00 10.01 N ATOM 1721 CA PHE A 106 -3.904 11.295 1.643 1.00 12.41 C ATOM 1722 C PHE A 106 -3.321 9.962 2.101 1.00 24.15 C ATOM 1723 O PHE A 106 -4.013 9.145 2.709 1.00 42.12 O ATOM 1724 CB PHE A 106 -3.031 12.447 2.146 1.00 65.42 C ATOM 1725 CG PHE A 106 -3.611 13.804 1.872 1.00 74.34 C ATOM 1726 CD1 PHE A 106 -3.423 14.418 0.645 1.00 71.13 C ATOM 1727 CD2 PHE A 106 -4.346 14.467 2.842 1.00 25.45 C ATOM 1728 CE1 PHE A 106 -3.956 15.667 0.389 1.00 54.33 C ATOM 1729 CE2 PHE A 106 -4.882 15.716 2.592 1.00 33.01 C ATOM 1730 CZ PHE A 106 -4.687 16.318 1.364 1.00 25.03 C ATOM 0 H PHE A 106 -5.364 12.026 2.959 1.00 10.01 H new ATOM 0 HA PHE A 106 -3.920 11.308 0.553 1.00 12.41 H new ATOM 0 HB2 PHE A 106 -2.880 12.336 3.220 1.00 65.42 H new ATOM 0 HB3 PHE A 106 -2.049 12.379 1.677 1.00 65.42 H new ATOM 0 HD1 PHE A 106 -2.853 13.914 -0.121 1.00 71.13 H new ATOM 0 HD2 PHE A 106 -4.502 14.002 3.804 1.00 25.45 H new ATOM 0 HE1 PHE A 106 -3.801 16.134 -0.572 1.00 54.33 H new ATOM 0 HE2 PHE A 106 -5.453 16.221 3.357 1.00 33.01 H new ATOM 0 HZ PHE A 106 -5.105 17.294 1.167 1.00 25.03 H new ATOM 1740 N TYR A 107 -2.044 9.749 1.805 1.00 44.53 N ATOM 1741 CA TYR A 107 -1.367 8.514 2.183 1.00 43.54 C ATOM 1742 C TYR A 107 0.133 8.741 2.341 1.00 41.32 C ATOM 1743 O TYR A 107 0.778 9.337 1.478 1.00 72.53 O ATOM 1744 CB TYR A 107 -1.623 7.427 1.138 1.00 43.21 C ATOM 1745 CG TYR A 107 -1.382 7.885 -0.283 1.00 21.11 C ATOM 1746 CD1 TYR A 107 -0.095 7.960 -0.801 1.00 25.01 C ATOM 1747 CD2 TYR A 107 -2.441 8.244 -1.107 1.00 54.42 C ATOM 1748 CE1 TYR A 107 0.131 8.378 -2.098 1.00 75.02 C ATOM 1749 CE2 TYR A 107 -2.225 8.662 -2.406 1.00 51.35 C ATOM 1750 CZ TYR A 107 -0.938 8.728 -2.896 1.00 71.43 C ATOM 1751 OH TYR A 107 -0.719 9.145 -4.189 1.00 53.23 O ATOM 0 H TYR A 107 -1.456 10.416 1.304 1.00 44.53 H new ATOM 0 HA TYR A 107 -1.769 8.188 3.142 1.00 43.54 H new ATOM 0 HB2 TYR A 107 -0.980 6.573 1.350 1.00 43.21 H new ATOM 0 HB3 TYR A 107 -2.653 7.082 1.230 1.00 43.21 H new ATOM 0 HD1 TYR A 107 0.744 7.687 -0.178 1.00 25.01 H new ATOM 0 HD2 TYR A 107 -3.450 8.196 -0.726 1.00 54.42 H new ATOM 0 HE1 TYR A 107 1.138 8.430 -2.485 1.00 75.02 H new ATOM 0 HE2 TYR A 107 -3.060 8.936 -3.034 1.00 51.35 H new ATOM 0 HH TYR A 107 -1.577 9.353 -4.615 1.00 53.23 H new ATOM 1761 N VAL A 108 0.685 8.261 3.451 1.00 21.20 N ATOM 1762 CA VAL A 108 2.110 8.409 3.722 1.00 22.34 C ATOM 1763 C VAL A 108 2.873 7.139 3.361 1.00 61.32 C ATOM 1764 O VAL A 108 2.817 6.141 4.080 1.00 41.54 O ATOM 1765 CB VAL A 108 2.367 8.744 5.204 1.00 60.44 C ATOM 1766 CG1 VAL A 108 3.850 8.975 5.450 1.00 61.20 C ATOM 1767 CG2 VAL A 108 1.553 9.958 5.624 1.00 53.42 C ATOM 0 H VAL A 108 0.167 7.766 4.177 1.00 21.20 H new ATOM 0 HA VAL A 108 2.466 9.232 3.103 1.00 22.34 H new ATOM 0 HB VAL A 108 2.051 7.895 5.811 1.00 60.44 H new ATOM 0 HG11 VAL A 108 4.012 9.210 6.502 1.00 61.20 H new ATOM 0 HG12 VAL A 108 4.407 8.075 5.190 1.00 61.20 H new ATOM 0 HG13 VAL A 108 4.196 9.806 4.835 1.00 61.20 H new ATOM 0 HG21 VAL A 108 1.747 10.181 6.673 1.00 53.42 H new ATOM 0 HG22 VAL A 108 1.836 10.815 5.013 1.00 53.42 H new ATOM 0 HG23 VAL A 108 0.492 9.750 5.487 1.00 53.42 H new ATOM 1777 N VAL A 109 3.587 7.184 2.240 1.00 75.33 N ATOM 1778 CA VAL A 109 4.363 6.038 1.782 1.00 2.42 C ATOM 1779 C VAL A 109 5.859 6.326 1.850 1.00 24.45 C ATOM 1780 O VAL A 109 6.312 7.406 1.475 1.00 53.03 O ATOM 1781 CB VAL A 109 3.991 5.649 0.339 1.00 64.44 C ATOM 1782 CG1 VAL A 109 2.540 5.995 0.049 1.00 15.10 C ATOM 1783 CG2 VAL A 109 4.920 6.333 -0.653 1.00 65.12 C ATOM 0 H VAL A 109 3.644 8.002 1.633 1.00 75.33 H new ATOM 0 HA VAL A 109 4.125 5.208 2.447 1.00 2.42 H new ATOM 0 HB VAL A 109 4.110 4.571 0.230 1.00 64.44 H new ATOM 0 HG11 VAL A 109 2.296 5.713 -0.975 1.00 15.10 H new ATOM 0 HG12 VAL A 109 1.892 5.454 0.739 1.00 15.10 H new ATOM 0 HG13 VAL A 109 2.389 7.067 0.175 1.00 15.10 H new ATOM 0 HG21 VAL A 109 4.643 6.047 -1.668 1.00 65.12 H new ATOM 0 HG22 VAL A 109 4.835 7.414 -0.545 1.00 65.12 H new ATOM 0 HG23 VAL A 109 5.948 6.028 -0.458 1.00 65.12 H new ATOM 1793 N ALA A 110 6.622 5.350 2.331 1.00 2.14 N ATOM 1794 CA ALA A 110 8.068 5.496 2.446 1.00 15.24 C ATOM 1795 C ALA A 110 8.762 5.141 1.136 1.00 63.43 C ATOM 1796 O ALA A 110 8.809 3.975 0.743 1.00 45.54 O ATOM 1797 CB ALA A 110 8.598 4.629 3.578 1.00 71.31 C ATOM 0 H ALA A 110 6.263 4.449 2.647 1.00 2.14 H new ATOM 0 HA ALA A 110 8.286 6.540 2.670 1.00 15.24 H new ATOM 0 HB1 ALA A 110 9.679 4.748 3.652 1.00 71.31 H new ATOM 0 HB2 ALA A 110 8.134 4.933 4.517 1.00 71.31 H new ATOM 0 HB3 ALA A 110 8.361 3.584 3.378 1.00 71.31 H new ATOM 1803 N CYS A 111 9.298 6.154 0.462 1.00 4.14 N ATOM 1804 CA CYS A 111 9.989 5.948 -0.805 1.00 54.40 C ATOM 1805 C CYS A 111 11.475 5.685 -0.579 1.00 1.05 C ATOM 1806 O CYS A 111 12.164 6.473 0.069 1.00 51.53 O ATOM 1807 CB CYS A 111 9.808 7.169 -1.711 1.00 70.33 C ATOM 1808 SG CYS A 111 8.354 7.074 -2.804 1.00 54.13 S ATOM 0 H CYS A 111 9.267 7.125 0.772 1.00 4.14 H new ATOM 0 HA CYS A 111 9.554 5.074 -1.290 1.00 54.40 H new ATOM 0 HB2 CYS A 111 9.724 8.060 -1.089 1.00 70.33 H new ATOM 0 HB3 CYS A 111 10.702 7.290 -2.323 1.00 70.33 H new ATOM 1813 N ASP A 112 11.961 4.572 -1.117 1.00 22.13 N ATOM 1814 CA ASP A 112 13.365 4.204 -0.975 1.00 14.34 C ATOM 1815 C ASP A 112 13.959 3.801 -2.320 1.00 32.43 C ATOM 1816 O ASP A 112 13.238 3.397 -3.232 1.00 65.10 O ATOM 1817 CB ASP A 112 13.516 3.059 0.028 1.00 53.14 C ATOM 1818 CG ASP A 112 14.853 3.086 0.740 1.00 24.23 C ATOM 1819 OD1 ASP A 112 15.394 4.192 0.945 1.00 52.34 O ATOM 1820 OD2 ASP A 112 15.360 2.000 1.093 1.00 72.14 O ATOM 0 H ASP A 112 11.404 3.909 -1.655 1.00 22.13 H new ATOM 0 HA ASP A 112 13.908 5.074 -0.605 1.00 14.34 H new ATOM 0 HB2 ASP A 112 12.714 3.117 0.764 1.00 53.14 H new ATOM 0 HB3 ASP A 112 13.404 2.107 -0.492 1.00 53.14 H new ATOM 1825 N ASN A 113 15.278 3.913 -2.437 1.00 3.55 N ATOM 1826 CA ASN A 113 15.970 3.561 -3.672 1.00 22.13 C ATOM 1827 C ASN A 113 15.620 2.141 -4.105 1.00 15.12 C ATOM 1828 O ASN A 113 15.836 1.183 -3.362 1.00 50.10 O ATOM 1829 CB ASN A 113 17.483 3.692 -3.488 1.00 72.21 C ATOM 1830 CG ASN A 113 17.921 5.133 -3.313 1.00 44.53 C ATOM 1831 OD1 ASN A 113 17.662 5.982 -4.166 1.00 70.23 O ATOM 1832 ND2 ASN A 113 18.590 5.417 -2.201 1.00 25.32 N ATOM 0 H ASN A 113 15.890 4.245 -1.691 1.00 3.55 H new ATOM 0 HA ASN A 113 15.645 4.250 -4.451 1.00 22.13 H new ATOM 0 HB2 ASN A 113 17.792 3.113 -2.618 1.00 72.21 H new ATOM 0 HB3 ASN A 113 17.990 3.263 -4.353 1.00 72.21 H new ATOM 0 HD21 ASN A 113 18.911 6.370 -2.028 1.00 25.32 H new ATOM 0 HD22 ASN A 113 18.783 4.682 -1.520 1.00 25.32 H new ATOM 1839 N ARG A 114 15.079 2.012 -5.313 1.00 10.43 N ATOM 1840 CA ARG A 114 14.698 0.710 -5.844 1.00 65.04 C ATOM 1841 C ARG A 114 15.558 0.344 -7.052 1.00 12.20 C ATOM 1842 O ARG A 114 16.141 1.214 -7.698 1.00 12.10 O ATOM 1843 CB ARG A 114 13.221 0.708 -6.239 1.00 24.53 C ATOM 1844 CG ARG A 114 12.973 1.137 -7.675 1.00 74.52 C ATOM 1845 CD ARG A 114 12.756 -0.062 -8.585 1.00 52.21 C ATOM 1846 NE ARG A 114 11.431 -0.651 -8.410 1.00 11.55 N ATOM 1847 CZ ARG A 114 11.192 -1.702 -7.633 1.00 71.10 C ATOM 1848 NH1 ARG A 114 12.183 -2.277 -6.965 1.00 55.15 N ATOM 1849 NH2 ARG A 114 9.958 -2.180 -7.524 1.00 5.31 N ATOM 0 H ARG A 114 14.895 2.794 -5.942 1.00 10.43 H new ATOM 0 HA ARG A 114 14.859 -0.034 -5.064 1.00 65.04 H new ATOM 0 HB2 ARG A 114 12.816 -0.294 -6.093 1.00 24.53 H new ATOM 0 HB3 ARG A 114 12.674 1.373 -5.571 1.00 24.53 H new ATOM 0 HG2 ARG A 114 12.100 1.789 -7.716 1.00 74.52 H new ATOM 0 HG3 ARG A 114 13.822 1.719 -8.034 1.00 74.52 H new ATOM 0 HD2 ARG A 114 12.882 0.244 -9.624 1.00 52.21 H new ATOM 0 HD3 ARG A 114 13.517 -0.815 -8.380 1.00 52.21 H new ATOM 0 HE ARG A 114 10.647 -0.233 -8.911 1.00 11.55 H new ATOM 0 HH11 ARG A 114 13.132 -1.913 -7.047 1.00 55.15 H new ATOM 0 HH12 ARG A 114 11.996 -3.084 -6.369 1.00 55.15 H new ATOM 0 HH21 ARG A 114 9.194 -1.740 -8.037 1.00 5.31 H new ATOM 0 HH22 ARG A 114 9.774 -2.987 -6.928 1.00 5.31 H new ATOM 1863 N ASP A 115 15.632 -0.949 -7.348 1.00 45.31 N ATOM 1864 CA ASP A 115 16.420 -1.430 -8.477 1.00 33.22 C ATOM 1865 C ASP A 115 16.031 -0.703 -9.761 1.00 30.43 C ATOM 1866 O ASP A 115 14.854 -0.474 -10.041 1.00 31.35 O ATOM 1867 CB ASP A 115 16.229 -2.938 -8.653 1.00 64.01 C ATOM 1868 CG ASP A 115 17.471 -3.618 -9.197 1.00 72.52 C ATOM 1869 OD1 ASP A 115 17.701 -3.539 -10.422 1.00 53.01 O ATOM 1870 OD2 ASP A 115 18.211 -4.230 -8.399 1.00 61.11 O ATOM 0 H ASP A 115 15.156 -1.682 -6.822 1.00 45.31 H new ATOM 0 HA ASP A 115 17.470 -1.225 -8.269 1.00 33.22 H new ATOM 0 HB2 ASP A 115 15.965 -3.383 -7.693 1.00 64.01 H new ATOM 0 HB3 ASP A 115 15.393 -3.119 -9.329 1.00 64.01 H new ATOM 1875 N PRO A 116 17.041 -0.330 -10.559 1.00 52.31 N ATOM 1876 CA PRO A 116 16.829 0.378 -11.825 1.00 45.04 C ATOM 1877 C PRO A 116 16.191 -0.512 -12.887 1.00 52.40 C ATOM 1878 O PRO A 116 16.043 -0.109 -14.041 1.00 2.45 O ATOM 1879 CB PRO A 116 18.245 0.781 -12.248 1.00 2.11 C ATOM 1880 CG PRO A 116 19.135 -0.216 -11.588 1.00 41.13 C ATOM 1881 CD PRO A 116 18.469 -0.570 -10.287 1.00 75.04 C ATOM 0 HA PRO A 116 16.147 1.220 -11.711 1.00 45.04 H new ATOM 0 HB2 PRO A 116 18.357 0.755 -13.332 1.00 2.11 H new ATOM 0 HB3 PRO A 116 18.480 1.796 -11.927 1.00 2.11 H new ATOM 0 HG2 PRO A 116 19.263 -1.099 -12.214 1.00 41.13 H new ATOM 0 HG3 PRO A 116 20.128 0.200 -11.417 1.00 41.13 H new ATOM 0 HD2 PRO A 116 18.656 -1.607 -10.009 1.00 75.04 H new ATOM 0 HD3 PRO A 116 18.832 0.051 -9.468 1.00 75.04 H new ATOM 1889 N ARG A 117 15.813 -1.722 -12.489 1.00 11.30 N ATOM 1890 CA ARG A 117 15.190 -2.668 -13.406 1.00 51.22 C ATOM 1891 C ARG A 117 13.675 -2.686 -13.224 1.00 52.42 C ATOM 1892 O ARG A 117 12.929 -2.962 -14.163 1.00 63.02 O ATOM 1893 CB ARG A 117 15.756 -4.072 -13.186 1.00 61.23 C ATOM 1894 CG ARG A 117 15.224 -4.755 -11.938 1.00 4.53 C ATOM 1895 CD ARG A 117 15.164 -6.264 -12.111 1.00 61.42 C ATOM 1896 NE ARG A 117 14.992 -6.956 -10.837 1.00 34.15 N ATOM 1897 CZ ARG A 117 14.908 -8.277 -10.721 1.00 43.13 C ATOM 1898 NH1 ARG A 117 14.980 -9.045 -11.800 1.00 4.40 N ATOM 1899 NH2 ARG A 117 14.752 -8.832 -9.526 1.00 61.25 N ATOM 0 H ARG A 117 15.927 -2.070 -11.537 1.00 11.30 H new ATOM 0 HA ARG A 117 15.413 -2.348 -14.424 1.00 51.22 H new ATOM 0 HB2 ARG A 117 15.523 -4.688 -14.054 1.00 61.23 H new ATOM 0 HB3 ARG A 117 16.842 -4.010 -13.121 1.00 61.23 H new ATOM 0 HG2 ARG A 117 15.861 -4.510 -11.088 1.00 4.53 H new ATOM 0 HG3 ARG A 117 14.229 -4.374 -11.710 1.00 4.53 H new ATOM 0 HD2 ARG A 117 14.339 -6.520 -12.776 1.00 61.42 H new ATOM 0 HD3 ARG A 117 16.080 -6.610 -12.591 1.00 61.42 H new ATOM 0 HE ARG A 117 14.933 -6.394 -9.988 1.00 34.15 H new ATOM 0 HH11 ARG A 117 15.100 -8.622 -12.720 1.00 4.40 H new ATOM 0 HH12 ARG A 117 14.915 -10.059 -11.710 1.00 4.40 H new ATOM 0 HH21 ARG A 117 14.696 -8.244 -8.694 1.00 61.25 H new ATOM 0 HH22 ARG A 117 14.688 -9.846 -9.439 1.00 61.25 H new ATOM 1913 N ASP A 118 13.227 -2.388 -12.009 1.00 20.22 N ATOM 1914 CA ASP A 118 11.801 -2.368 -11.703 1.00 63.14 C ATOM 1915 C ASP A 118 11.225 -0.967 -11.886 1.00 70.53 C ATOM 1916 O ASP A 118 10.042 -0.807 -12.185 1.00 50.13 O ATOM 1917 CB ASP A 118 11.558 -2.850 -10.272 1.00 24.55 C ATOM 1918 CG ASP A 118 11.350 -4.350 -10.194 1.00 4.23 C ATOM 1919 OD1 ASP A 118 12.356 -5.089 -10.205 1.00 20.51 O ATOM 1920 OD2 ASP A 118 10.181 -4.784 -10.122 1.00 23.11 O ATOM 0 H ASP A 118 13.831 -2.157 -11.220 1.00 20.22 H new ATOM 0 HA ASP A 118 11.297 -3.042 -12.396 1.00 63.14 H new ATOM 0 HB2 ASP A 118 12.407 -2.571 -9.649 1.00 24.55 H new ATOM 0 HB3 ASP A 118 10.683 -2.343 -9.865 1.00 24.55 H new ATOM 1925 N SER A 119 12.070 0.042 -11.704 1.00 12.53 N ATOM 1926 CA SER A 119 11.644 1.430 -11.844 1.00 32.10 C ATOM 1927 C SER A 119 12.590 2.199 -12.760 1.00 74.34 C ATOM 1928 O SER A 119 13.371 3.044 -12.321 1.00 34.22 O ATOM 1929 CB SER A 119 11.580 2.107 -10.473 1.00 43.43 C ATOM 1930 OG SER A 119 10.703 3.219 -10.495 1.00 10.45 O ATOM 0 H SER A 119 13.053 -0.075 -11.459 1.00 12.53 H new ATOM 0 HA SER A 119 10.650 1.436 -12.291 1.00 32.10 H new ATOM 0 HB2 SER A 119 11.244 1.389 -9.725 1.00 43.43 H new ATOM 0 HB3 SER A 119 12.577 2.432 -10.177 1.00 43.43 H new ATOM 0 HG SER A 119 11.091 3.931 -11.045 1.00 10.45 H new ATOM 1936 N PRO A 120 12.520 1.901 -14.066 1.00 21.34 N ATOM 1937 CA PRO A 120 13.362 2.553 -15.073 1.00 2.11 C ATOM 1938 C PRO A 120 12.984 4.015 -15.287 1.00 2.53 C ATOM 1939 O PRO A 120 13.797 4.813 -15.754 1.00 13.32 O ATOM 1940 CB PRO A 120 13.091 1.740 -16.342 1.00 62.12 C ATOM 1941 CG PRO A 120 11.735 1.158 -16.137 1.00 44.42 C ATOM 1942 CD PRO A 120 11.612 0.905 -14.660 1.00 4.11 C ATOM 0 HA PRO A 120 14.411 2.571 -14.777 1.00 2.11 H new ATOM 0 HB2 PRO A 120 13.121 2.371 -17.230 1.00 62.12 H new ATOM 0 HB3 PRO A 120 13.840 0.960 -16.480 1.00 62.12 H new ATOM 0 HG2 PRO A 120 10.960 1.843 -16.481 1.00 44.42 H new ATOM 0 HG3 PRO A 120 11.618 0.234 -16.702 1.00 44.42 H new ATOM 0 HD2 PRO A 120 10.587 1.039 -14.314 1.00 4.11 H new ATOM 0 HD3 PRO A 120 11.906 -0.112 -14.401 1.00 4.11 H new ATOM 1950 N ARG A 121 11.748 4.359 -14.942 1.00 31.05 N ATOM 1951 CA ARG A 121 11.264 5.725 -15.096 1.00 35.24 C ATOM 1952 C ARG A 121 11.413 6.505 -13.793 1.00 50.10 C ATOM 1953 O ARG A 121 11.953 7.612 -13.778 1.00 72.21 O ATOM 1954 CB ARG A 121 9.799 5.722 -15.536 1.00 55.03 C ATOM 1955 CG ARG A 121 8.867 5.041 -14.547 1.00 52.21 C ATOM 1956 CD ARG A 121 7.627 4.494 -15.237 1.00 72.03 C ATOM 1957 NE ARG A 121 7.100 3.312 -14.560 1.00 65.21 N ATOM 1958 CZ ARG A 121 6.076 2.599 -15.015 1.00 1.33 C ATOM 1959 NH1 ARG A 121 5.470 2.947 -16.142 1.00 4.21 N ATOM 1960 NH2 ARG A 121 5.655 1.536 -14.342 1.00 42.02 N ATOM 0 H ARG A 121 11.063 3.710 -14.554 1.00 31.05 H new ATOM 0 HA ARG A 121 11.866 6.213 -15.862 1.00 35.24 H new ATOM 0 HB2 ARG A 121 9.470 6.751 -15.682 1.00 55.03 H new ATOM 0 HB3 ARG A 121 9.719 5.222 -16.501 1.00 55.03 H new ATOM 0 HG2 ARG A 121 9.395 4.229 -14.048 1.00 52.21 H new ATOM 0 HG3 ARG A 121 8.572 5.752 -13.775 1.00 52.21 H new ATOM 0 HD2 ARG A 121 6.859 5.267 -15.268 1.00 72.03 H new ATOM 0 HD3 ARG A 121 7.868 4.243 -16.270 1.00 72.03 H new ATOM 0 HE ARG A 121 7.543 3.018 -13.690 1.00 65.21 H new ATOM 0 HH11 ARG A 121 5.790 3.764 -16.662 1.00 4.21 H new ATOM 0 HH12 ARG A 121 4.684 2.398 -16.489 1.00 4.21 H new ATOM 0 HH21 ARG A 121 6.118 1.266 -13.474 1.00 42.02 H new ATOM 0 HH22 ARG A 121 4.868 0.989 -14.692 1.00 42.02 H new ATOM 1974 N TYR A 122 10.930 5.921 -12.701 1.00 45.32 N ATOM 1975 CA TYR A 122 11.007 6.564 -11.395 1.00 23.43 C ATOM 1976 C TYR A 122 12.221 6.068 -10.615 1.00 40.31 C ATOM 1977 O TYR A 122 12.504 4.872 -10.549 1.00 34.12 O ATOM 1978 CB TYR A 122 9.731 6.295 -10.595 1.00 75.14 C ATOM 1979 CG TYR A 122 8.481 6.253 -11.446 1.00 54.24 C ATOM 1980 CD1 TYR A 122 7.959 7.412 -12.008 1.00 64.14 C ATOM 1981 CD2 TYR A 122 7.823 5.054 -11.690 1.00 42.13 C ATOM 1982 CE1 TYR A 122 6.818 7.378 -12.786 1.00 1.44 C ATOM 1983 CE2 TYR A 122 6.682 5.010 -12.468 1.00 52.33 C ATOM 1984 CZ TYR A 122 6.183 6.175 -13.012 1.00 73.13 C ATOM 1985 OH TYR A 122 5.047 6.137 -13.788 1.00 14.34 O ATOM 0 H TYR A 122 10.482 5.005 -12.695 1.00 45.32 H new ATOM 0 HA TYR A 122 11.111 7.638 -11.553 1.00 23.43 H new ATOM 0 HB2 TYR A 122 9.835 5.346 -10.069 1.00 75.14 H new ATOM 0 HB3 TYR A 122 9.618 7.069 -9.836 1.00 75.14 H new ATOM 0 HD1 TYR A 122 8.454 8.356 -11.833 1.00 64.14 H new ATOM 0 HD2 TYR A 122 8.210 4.140 -11.264 1.00 42.13 H new ATOM 0 HE1 TYR A 122 6.426 8.288 -13.215 1.00 1.44 H new ATOM 0 HE2 TYR A 122 6.184 4.069 -12.649 1.00 52.33 H new ATOM 0 HH TYR A 122 4.724 5.214 -13.850 1.00 14.34 H new ATOM 1995 N PRO A 123 12.958 7.011 -10.008 1.00 63.03 N ATOM 1996 CA PRO A 123 14.154 6.696 -9.221 1.00 34.22 C ATOM 1997 C PRO A 123 13.817 5.981 -7.917 1.00 2.31 C ATOM 1998 O PRO A 123 14.449 4.986 -7.561 1.00 41.11 O ATOM 1999 CB PRO A 123 14.762 8.071 -8.936 1.00 2.44 C ATOM 2000 CG PRO A 123 13.613 9.016 -9.007 1.00 43.22 C ATOM 2001 CD PRO A 123 12.681 8.456 -10.045 1.00 13.14 C ATOM 0 HA PRO A 123 14.825 6.020 -9.750 1.00 34.22 H new ATOM 0 HB2 PRO A 123 15.237 8.098 -7.955 1.00 2.44 H new ATOM 0 HB3 PRO A 123 15.529 8.324 -9.668 1.00 2.44 H new ATOM 0 HG2 PRO A 123 13.116 9.100 -8.041 1.00 43.22 H new ATOM 0 HG3 PRO A 123 13.947 10.017 -9.281 1.00 43.22 H new ATOM 0 HD2 PRO A 123 11.639 8.672 -9.808 1.00 13.14 H new ATOM 0 HD3 PRO A 123 12.877 8.878 -11.031 1.00 13.14 H new ATOM 2009 N VAL A 124 12.817 6.494 -7.207 1.00 32.04 N ATOM 2010 CA VAL A 124 12.395 5.904 -5.942 1.00 72.14 C ATOM 2011 C VAL A 124 10.945 5.436 -6.010 1.00 44.02 C ATOM 2012 O VAL A 124 10.165 5.918 -6.832 1.00 34.33 O ATOM 2013 CB VAL A 124 12.547 6.901 -4.779 1.00 40.33 C ATOM 2014 CG1 VAL A 124 11.282 7.730 -4.617 1.00 1.22 C ATOM 2015 CG2 VAL A 124 12.882 6.168 -3.489 1.00 60.23 C ATOM 0 H VAL A 124 12.284 7.317 -7.487 1.00 32.04 H new ATOM 0 HA VAL A 124 13.043 5.046 -5.762 1.00 72.14 H new ATOM 0 HB VAL A 124 13.370 7.578 -5.010 1.00 40.33 H new ATOM 0 HG11 VAL A 124 11.408 8.429 -3.790 1.00 1.22 H new ATOM 0 HG12 VAL A 124 11.091 8.285 -5.535 1.00 1.22 H new ATOM 0 HG13 VAL A 124 10.439 7.071 -4.409 1.00 1.22 H new ATOM 0 HG21 VAL A 124 12.986 6.888 -2.678 1.00 60.23 H new ATOM 0 HG22 VAL A 124 12.083 5.466 -3.251 1.00 60.23 H new ATOM 0 HG23 VAL A 124 13.818 5.623 -3.613 1.00 60.23 H new ATOM 2025 N VAL A 125 10.592 4.495 -5.142 1.00 21.52 N ATOM 2026 CA VAL A 125 9.235 3.963 -5.101 1.00 71.54 C ATOM 2027 C VAL A 125 8.817 3.630 -3.674 1.00 24.12 C ATOM 2028 O VAL A 125 9.647 3.480 -2.777 1.00 0.25 O ATOM 2029 CB VAL A 125 9.102 2.699 -5.972 1.00 1.22 C ATOM 2030 CG1 VAL A 125 8.667 3.065 -7.383 1.00 3.33 C ATOM 2031 CG2 VAL A 125 10.412 1.926 -5.992 1.00 25.23 C ATOM 0 H VAL A 125 11.227 4.085 -4.457 1.00 21.52 H new ATOM 0 HA VAL A 125 8.579 4.739 -5.496 1.00 71.54 H new ATOM 0 HB VAL A 125 8.335 2.058 -5.537 1.00 1.22 H new ATOM 0 HG11 VAL A 125 8.579 2.159 -7.983 1.00 3.33 H new ATOM 0 HG12 VAL A 125 7.703 3.572 -7.347 1.00 3.33 H new ATOM 0 HG13 VAL A 125 9.408 3.727 -7.832 1.00 3.33 H new ATOM 0 HG21 VAL A 125 10.300 1.036 -6.612 1.00 25.23 H new ATOM 0 HG22 VAL A 125 11.201 2.557 -6.402 1.00 25.23 H new ATOM 0 HG23 VAL A 125 10.675 1.630 -4.977 1.00 25.23 H new ATOM 2041 N PRO A 126 7.499 3.511 -3.455 1.00 62.03 N ATOM 2042 CA PRO A 126 6.940 3.193 -2.138 1.00 2.42 C ATOM 2043 C PRO A 126 7.240 1.760 -1.711 1.00 50.05 C ATOM 2044 O PRO A 126 7.060 0.821 -2.486 1.00 41.24 O ATOM 2045 CB PRO A 126 5.435 3.389 -2.333 1.00 41.04 C ATOM 2046 CG PRO A 126 5.213 3.176 -3.791 1.00 32.41 C ATOM 2047 CD PRO A 126 6.453 3.676 -4.478 1.00 55.51 C ATOM 0 HA PRO A 126 7.366 3.818 -1.354 1.00 2.42 H new ATOM 0 HB2 PRO A 126 4.862 2.678 -1.737 1.00 41.04 H new ATOM 0 HB3 PRO A 126 5.122 4.387 -2.026 1.00 41.04 H new ATOM 0 HG2 PRO A 126 5.044 2.122 -4.010 1.00 32.41 H new ATOM 0 HG3 PRO A 126 4.332 3.718 -4.134 1.00 32.41 H new ATOM 0 HD2 PRO A 126 6.675 3.100 -5.376 1.00 55.51 H new ATOM 0 HD3 PRO A 126 6.351 4.717 -4.784 1.00 55.51 H new ATOM 2055 N VAL A 127 7.697 1.600 -0.474 1.00 20.44 N ATOM 2056 CA VAL A 127 8.020 0.280 0.057 1.00 63.02 C ATOM 2057 C VAL A 127 7.363 0.057 1.414 1.00 13.03 C ATOM 2058 O VAL A 127 7.531 -0.995 2.032 1.00 14.11 O ATOM 2059 CB VAL A 127 9.541 0.089 0.198 1.00 3.13 C ATOM 2060 CG1 VAL A 127 10.217 0.154 -1.163 1.00 70.31 C ATOM 2061 CG2 VAL A 127 10.124 1.130 1.141 1.00 10.23 C ATOM 0 H VAL A 127 7.852 2.367 0.180 1.00 20.44 H new ATOM 0 HA VAL A 127 7.634 -0.450 -0.654 1.00 63.02 H new ATOM 0 HB VAL A 127 9.727 -0.898 0.623 1.00 3.13 H new ATOM 0 HG11 VAL A 127 11.292 0.017 -1.042 1.00 70.31 H new ATOM 0 HG12 VAL A 127 9.820 -0.633 -1.804 1.00 70.31 H new ATOM 0 HG13 VAL A 127 10.024 1.125 -1.619 1.00 70.31 H new ATOM 0 HG21 VAL A 127 11.200 0.980 1.229 1.00 10.23 H new ATOM 0 HG22 VAL A 127 9.928 2.128 0.748 1.00 10.23 H new ATOM 0 HG23 VAL A 127 9.663 1.030 2.123 1.00 10.23 H new ATOM 2071 N HIS A 128 6.612 1.053 1.873 1.00 50.04 N ATOM 2072 CA HIS A 128 5.927 0.966 3.158 1.00 70.02 C ATOM 2073 C HIS A 128 4.837 2.028 3.266 1.00 61.25 C ATOM 2074 O HIS A 128 4.980 3.134 2.742 1.00 33.03 O ATOM 2075 CB HIS A 128 6.927 1.126 4.303 1.00 12.53 C ATOM 2076 CG HIS A 128 6.310 1.642 5.568 1.00 41.25 C ATOM 2077 ND1 HIS A 128 6.346 0.949 6.759 1.00 12.42 N ATOM 2078 CD2 HIS A 128 5.642 2.791 5.822 1.00 52.11 C ATOM 2079 CE1 HIS A 128 5.725 1.650 7.692 1.00 35.54 C ATOM 2080 NE2 HIS A 128 5.288 2.772 7.148 1.00 3.55 N ATOM 0 H HIS A 128 6.462 1.930 1.374 1.00 50.04 H new ATOM 0 HA HIS A 128 5.460 -0.016 3.228 1.00 70.02 H new ATOM 0 HB2 HIS A 128 7.395 0.162 4.503 1.00 12.53 H new ATOM 0 HB3 HIS A 128 7.719 1.806 3.991 1.00 12.53 H new ATOM 0 HD1 HIS A 128 6.783 0.038 6.899 1.00 12.42 H new ATOM 0 HD2 HIS A 128 5.427 3.577 5.113 1.00 52.11 H new ATOM 0 HE1 HIS A 128 5.597 1.356 8.723 1.00 35.54 H new ATOM 2089 N LEU A 129 3.749 1.685 3.946 1.00 23.02 N ATOM 2090 CA LEU A 129 2.634 2.608 4.122 1.00 2.11 C ATOM 2091 C LEU A 129 2.423 2.932 5.598 1.00 0.31 C ATOM 2092 O LEU A 129 1.997 2.079 6.377 1.00 63.11 O ATOM 2093 CB LEU A 129 1.355 2.012 3.532 1.00 53.43 C ATOM 2094 CG LEU A 129 0.256 3.011 3.165 1.00 3.34 C ATOM 2095 CD1 LEU A 129 -0.561 3.381 4.394 1.00 62.42 C ATOM 2096 CD2 LEU A 129 0.858 4.256 2.528 1.00 31.25 C ATOM 0 H LEU A 129 3.615 0.774 4.385 1.00 23.02 H new ATOM 0 HA LEU A 129 2.873 3.532 3.596 1.00 2.11 H new ATOM 0 HB2 LEU A 129 1.620 1.449 2.637 1.00 53.43 H new ATOM 0 HB3 LEU A 129 0.946 1.299 4.248 1.00 53.43 H new ATOM 0 HG LEU A 129 -0.409 2.541 2.440 1.00 3.34 H new ATOM 0 HD11 LEU A 129 -1.338 4.092 4.114 1.00 62.42 H new ATOM 0 HD12 LEU A 129 -1.022 2.484 4.808 1.00 62.42 H new ATOM 0 HD13 LEU A 129 0.091 3.832 5.142 1.00 62.42 H new ATOM 0 HD21 LEU A 129 0.062 4.956 2.273 1.00 31.25 H new ATOM 0 HD22 LEU A 129 1.545 4.728 3.230 1.00 31.25 H new ATOM 0 HD23 LEU A 129 1.399 3.977 1.624 1.00 31.25 H new ATOM 2108 N ASP A 130 2.722 4.170 5.975 1.00 53.51 N ATOM 2109 CA ASP A 130 2.563 4.609 7.356 1.00 14.04 C ATOM 2110 C ASP A 130 1.087 4.701 7.731 1.00 72.43 C ATOM 2111 O ASP A 130 0.635 4.064 8.683 1.00 23.30 O ATOM 2112 CB ASP A 130 3.240 5.965 7.565 1.00 20.42 C ATOM 2113 CG ASP A 130 3.771 6.135 8.975 1.00 61.30 C ATOM 2114 OD1 ASP A 130 2.968 6.447 9.878 1.00 35.24 O ATOM 2115 OD2 ASP A 130 4.991 5.955 9.175 1.00 74.13 O ATOM 0 H ASP A 130 3.076 4.888 5.343 1.00 53.51 H new ATOM 0 HA ASP A 130 3.039 3.871 8.002 1.00 14.04 H new ATOM 0 HB2 ASP A 130 4.061 6.072 6.855 1.00 20.42 H new ATOM 0 HB3 ASP A 130 2.527 6.761 7.350 1.00 20.42 H new ATOM 2120 N THR A 131 0.338 5.499 6.974 1.00 23.12 N ATOM 2121 CA THR A 131 -1.086 5.676 7.228 1.00 53.45 C ATOM 2122 C THR A 131 -1.752 6.452 6.098 1.00 54.41 C ATOM 2123 O THR A 131 -1.088 6.913 5.170 1.00 41.33 O ATOM 2124 CB THR A 131 -1.333 6.413 8.558 1.00 51.05 C ATOM 2125 OG1 THR A 131 -2.733 6.432 8.854 1.00 34.24 O ATOM 2126 CG2 THR A 131 -0.805 7.838 8.492 1.00 42.42 C ATOM 0 H THR A 131 0.695 6.032 6.181 1.00 23.12 H new ATOM 0 HA THR A 131 -1.523 4.679 7.288 1.00 53.45 H new ATOM 0 HB THR A 131 -0.802 5.881 9.347 1.00 51.05 H new ATOM 0 HG1 THR A 131 -2.882 6.901 9.702 1.00 34.24 H new ATOM 0 HG21 THR A 131 -0.990 8.339 9.442 1.00 42.42 H new ATOM 0 HG22 THR A 131 0.267 7.820 8.294 1.00 42.42 H new ATOM 0 HG23 THR A 131 -1.312 8.377 7.692 1.00 42.42 H new ATOM 2134 N THR A 132 -3.072 6.595 6.182 1.00 52.54 N ATOM 2135 CA THR A 132 -3.828 7.316 5.166 1.00 34.31 C ATOM 2136 C THR A 132 -4.724 8.376 5.797 1.00 74.40 C ATOM 2137 O THR A 132 -5.636 8.056 6.562 1.00 4.41 O ATOM 2138 CB THR A 132 -4.697 6.359 4.328 1.00 61.52 C ATOM 2139 OG1 THR A 132 -5.077 5.225 5.115 1.00 43.10 O ATOM 2140 CG2 THR A 132 -3.946 5.893 3.088 1.00 15.50 C ATOM 0 H THR A 132 -3.639 6.221 6.943 1.00 52.54 H new ATOM 0 HA THR A 132 -3.100 7.800 4.514 1.00 34.31 H new ATOM 0 HB THR A 132 -5.591 6.897 4.013 1.00 61.52 H new ATOM 0 HG1 THR A 132 -5.445 5.529 5.971 1.00 43.10 H new ATOM 0 HG21 THR A 132 -4.579 5.218 2.511 1.00 15.50 H new ATOM 0 HG22 THR A 132 -3.683 6.756 2.476 1.00 15.50 H new ATOM 0 HG23 THR A 132 -3.037 5.371 3.388 1.00 15.50 H new ATOM 2148 N ILE A 133 -4.462 9.636 5.471 1.00 71.03 N ATOM 2149 CA ILE A 133 -5.247 10.743 6.004 1.00 1.35 C ATOM 2150 C ILE A 133 -4.935 12.043 5.271 1.00 63.01 C ATOM 2151 O ILE A 133 -3.787 12.485 5.229 1.00 4.35 O ATOM 2152 CB ILE A 133 -4.988 10.942 7.510 1.00 23.44 C ATOM 2153 CG1 ILE A 133 -6.147 11.708 8.152 1.00 21.14 C ATOM 2154 CG2 ILE A 133 -3.674 11.676 7.730 1.00 64.44 C ATOM 2155 CD1 ILE A 133 -6.072 13.204 7.940 1.00 30.24 C ATOM 0 H ILE A 133 -3.712 9.917 4.840 1.00 71.03 H new ATOM 0 HA ILE A 133 -6.296 10.487 5.853 1.00 1.35 H new ATOM 0 HB ILE A 133 -4.917 9.963 7.984 1.00 23.44 H new ATOM 0 HG12 ILE A 133 -7.087 11.338 7.744 1.00 21.14 H new ATOM 0 HG13 ILE A 133 -6.161 11.501 9.222 1.00 21.14 H new ATOM 0 HG21 ILE A 133 -3.506 11.809 8.799 1.00 64.44 H new ATOM 0 HG22 ILE A 133 -2.857 11.095 7.303 1.00 64.44 H new ATOM 0 HG23 ILE A 133 -3.717 12.652 7.246 1.00 64.44 H new ATOM 0 HD11 ILE A 133 -6.925 13.683 8.422 1.00 30.24 H new ATOM 0 HD12 ILE A 133 -5.148 13.587 8.373 1.00 30.24 H new ATOM 0 HD13 ILE A 133 -6.089 13.421 6.872 1.00 30.24 H new