USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=26 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 141:sc= 0.198 USER MOD Set 1.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 50 ASN : amide:sc= -0.239 X(o=-0.24,f=0.035) USER MOD Set 3.1: A 27 MET CE :methyl -109:sc= -7.51! (180deg=-7.08!) USER MOD Set 3.2: A 31 ASN : amide:sc= -3.42 K(o=-9.2,f=-14!) USER MOD Set 3.3: A 98 TYR OH : rot 47:sc= 1.77 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -134:sc= 1.17 USER MOD Single : A 9 GLN :FLIP amide:sc= -3.22! C(o=-7.3!,f=-3.2!) USER MOD Single : A 14 GLN :FLIP amide:sc= -3.97! C(o=-5.3!,f=-4!) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -12.4! C(o=-13!,f=-12!) USER MOD Single : A 17 SER OG : rot -37:sc= -1.06! USER MOD Single : A 19 ASN :FLIP amide:sc= -0.568 F(o=-1.9,f=-0.57) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 33 TYR OH : rot 120:sc= -2.86! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -1.31 F(o=-2.8!,f=-1.3) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -3.99! C(o=-4!,f=-9.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 46 THR OG1 : rot -177:sc= -0.701 USER MOD Single : A 53 ASN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 57 ASN : amide:sc= -4.76! C(o=-4.8!,f=-12!) USER MOD Single : A 58 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 59 SER OG : rot -91:sc= 0.0666 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 65 ASN : amide:sc= -1.34 X(o=-1.3,f=-1) USER MOD Single : A 67 THR OG1 : rot -36:sc= 1.2 USER MOD Single : A 69 ASN : amide:sc= -4.29! C(o=-4.3!,f=-9.9!) USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -11.4! C(o=-14!,f=-11!) USER MOD Single : A 82 HIS : no HE2:sc= -8.13! C(o=-8.1!,f=-9.4!) USER MOD Single : A 87 ASN : amide:sc= -14.7! C(o=-15!,f=-15!) USER MOD Single : A 91 GLN : amide:sc= -1.43 K(o=-1.4,f=-3.6) USER MOD Single : A 92 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.3) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.4! C(o=-1.4!,f=-2.5!) USER MOD Single : A 113 ASN : amide:sc= -0.0255 X(o=-0.026,f=-0.044) USER MOD Single : A 119 SER OG : rot 150:sc= -0.488 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS :FLIP no HD1:sc= -1.13 F(o=-2!,f=-1.1) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.426! USER MOD Single : A 132 THR OG1 : rot 43:sc= 0.311 USER MOD ----------------------------------------------------------------- ATOM 25 N PRO A 2 7.295 -11.238 -3.508 1.00 22.14 N ATOM 26 CA PRO A 2 7.602 -12.520 -4.152 1.00 51.52 C ATOM 27 C PRO A 2 8.487 -12.351 -5.382 1.00 73.20 C ATOM 28 O PRO A 2 8.719 -11.242 -5.863 1.00 50.04 O ATOM 29 CB PRO A 2 6.224 -13.053 -4.554 1.00 42.42 C ATOM 30 CG PRO A 2 5.373 -11.839 -4.691 1.00 35.13 C ATOM 31 CD PRO A 2 5.882 -10.858 -3.670 1.00 64.43 C ATOM 0 HA PRO A 2 8.156 -13.187 -3.492 1.00 51.52 H new ATOM 0 HB2 PRO A 2 6.273 -13.610 -5.490 1.00 42.42 H new ATOM 0 HB3 PRO A 2 5.827 -13.732 -3.799 1.00 42.42 H new ATOM 0 HG2 PRO A 2 5.442 -11.426 -5.697 1.00 35.13 H new ATOM 0 HG3 PRO A 2 4.324 -12.076 -4.515 1.00 35.13 H new ATOM 0 HD2 PRO A 2 5.779 -9.829 -4.015 1.00 64.43 H new ATOM 0 HD3 PRO A 2 5.335 -10.935 -2.731 1.00 64.43 H new ATOM 39 N PRO A 3 8.994 -13.477 -5.906 1.00 22.05 N ATOM 40 CA PRO A 3 9.861 -13.481 -7.088 1.00 2.23 C ATOM 41 C PRO A 3 9.107 -13.112 -8.361 1.00 24.12 C ATOM 42 O PRO A 3 9.698 -13.014 -9.436 1.00 43.40 O ATOM 43 CB PRO A 3 10.357 -14.928 -7.159 1.00 50.53 C ATOM 44 CG PRO A 3 9.305 -15.723 -6.467 1.00 4.53 C ATOM 45 CD PRO A 3 8.760 -14.834 -5.384 1.00 31.02 C ATOM 0 HA PRO A 3 10.662 -12.745 -7.009 1.00 2.23 H new ATOM 0 HB2 PRO A 3 10.484 -15.253 -8.192 1.00 50.53 H new ATOM 0 HB3 PRO A 3 11.324 -15.040 -6.669 1.00 50.53 H new ATOM 0 HG2 PRO A 3 8.519 -16.019 -7.162 1.00 4.53 H new ATOM 0 HG3 PRO A 3 9.721 -16.639 -6.048 1.00 4.53 H new ATOM 0 HD2 PRO A 3 7.700 -15.019 -5.207 1.00 31.02 H new ATOM 0 HD3 PRO A 3 9.274 -14.994 -4.436 1.00 31.02 H new ATOM 53 N GLN A 4 7.800 -12.910 -8.232 1.00 10.11 N ATOM 54 CA GLN A 4 6.966 -12.554 -9.373 1.00 44.52 C ATOM 55 C GLN A 4 6.938 -11.042 -9.575 1.00 14.33 C ATOM 56 O GLN A 4 6.986 -10.555 -10.704 1.00 13.41 O ATOM 57 CB GLN A 4 5.544 -13.081 -9.177 1.00 61.54 C ATOM 58 CG GLN A 4 5.448 -14.598 -9.209 1.00 12.32 C ATOM 59 CD GLN A 4 4.315 -15.129 -8.353 1.00 13.34 C ATOM 60 OE1 GLN A 4 4.536 -15.901 -7.419 1.00 60.22 O ATOM 61 NE2 GLN A 4 3.092 -14.715 -8.665 1.00 23.24 N ATOM 0 H GLN A 4 7.296 -12.987 -7.349 1.00 10.11 H new ATOM 0 HA GLN A 4 7.396 -13.014 -10.263 1.00 44.52 H new ATOM 0 HB2 GLN A 4 5.160 -12.721 -8.222 1.00 61.54 H new ATOM 0 HB3 GLN A 4 4.902 -12.668 -9.955 1.00 61.54 H new ATOM 0 HG2 GLN A 4 5.306 -14.928 -10.238 1.00 12.32 H new ATOM 0 HG3 GLN A 4 6.390 -15.025 -8.864 1.00 12.32 H new ATOM 0 HE21 GLN A 4 2.954 -14.075 -9.447 1.00 23.24 H new ATOM 0 HE22 GLN A 4 2.291 -15.037 -8.122 1.00 23.24 H new ATOM 70 N PHE A 5 6.858 -10.304 -8.472 1.00 11.21 N ATOM 71 CA PHE A 5 6.821 -8.848 -8.527 1.00 55.10 C ATOM 72 C PHE A 5 7.923 -8.242 -7.663 1.00 51.02 C ATOM 73 O PHE A 5 8.405 -8.870 -6.719 1.00 63.41 O ATOM 74 CB PHE A 5 5.455 -8.333 -8.066 1.00 42.02 C ATOM 75 CG PHE A 5 4.306 -9.180 -8.534 1.00 41.42 C ATOM 76 CD1 PHE A 5 3.902 -9.150 -9.859 1.00 22.42 C ATOM 77 CD2 PHE A 5 3.632 -10.005 -7.650 1.00 13.11 C ATOM 78 CE1 PHE A 5 2.845 -9.928 -10.292 1.00 54.00 C ATOM 79 CE2 PHE A 5 2.574 -10.785 -8.077 1.00 13.10 C ATOM 80 CZ PHE A 5 2.180 -10.747 -9.401 1.00 1.42 C ATOM 0 H PHE A 5 6.818 -10.691 -7.529 1.00 11.21 H new ATOM 0 HA PHE A 5 6.986 -8.545 -9.561 1.00 55.10 H new ATOM 0 HB2 PHE A 5 5.442 -8.286 -6.977 1.00 42.02 H new ATOM 0 HB3 PHE A 5 5.318 -7.315 -8.430 1.00 42.02 H new ATOM 0 HD1 PHE A 5 4.419 -8.512 -10.561 1.00 22.42 H new ATOM 0 HD2 PHE A 5 3.937 -10.040 -6.614 1.00 13.11 H new ATOM 0 HE1 PHE A 5 2.539 -9.895 -11.327 1.00 54.00 H new ATOM 0 HE2 PHE A 5 2.056 -11.423 -7.377 1.00 13.10 H new ATOM 0 HZ PHE A 5 1.354 -11.356 -9.738 1.00 1.42 H new ATOM 90 N THR A 6 8.320 -7.017 -7.992 1.00 41.03 N ATOM 91 CA THR A 6 9.366 -6.326 -7.249 1.00 64.34 C ATOM 92 C THR A 6 8.816 -5.715 -5.965 1.00 72.21 C ATOM 93 O THR A 6 7.612 -5.493 -5.839 1.00 54.44 O ATOM 94 CB THR A 6 10.017 -5.216 -8.095 1.00 73.04 C ATOM 95 OG1 THR A 6 9.068 -4.693 -9.032 1.00 32.52 O ATOM 96 CG2 THR A 6 11.233 -5.746 -8.840 1.00 74.11 C ATOM 0 H THR A 6 7.932 -6.482 -8.769 1.00 41.03 H new ATOM 0 HA THR A 6 10.121 -7.071 -6.999 1.00 64.34 H new ATOM 0 HB THR A 6 10.340 -4.421 -7.423 1.00 73.04 H new ATOM 0 HG1 THR A 6 9.488 -4.616 -9.914 1.00 32.52 H new ATOM 0 HG21 THR A 6 11.676 -4.944 -9.431 1.00 74.11 H new ATOM 0 HG22 THR A 6 11.966 -6.116 -8.123 1.00 74.11 H new ATOM 0 HG23 THR A 6 10.929 -6.558 -9.501 1.00 74.11 H new ATOM 104 N ARG A 7 9.706 -5.445 -5.016 1.00 1.40 N ATOM 105 CA ARG A 7 9.309 -4.859 -3.741 1.00 53.24 C ATOM 106 C ARG A 7 8.495 -3.586 -3.958 1.00 44.01 C ATOM 107 O ARG A 7 7.665 -3.219 -3.126 1.00 25.52 O ATOM 108 CB ARG A 7 10.543 -4.550 -2.891 1.00 22.33 C ATOM 109 CG ARG A 7 11.215 -5.789 -2.322 1.00 2.31 C ATOM 110 CD ARG A 7 12.445 -5.428 -1.503 1.00 73.51 C ATOM 111 NE ARG A 7 12.955 -6.570 -0.749 1.00 72.13 N ATOM 112 CZ ARG A 7 13.685 -6.455 0.355 1.00 74.41 C ATOM 113 NH1 ARG A 7 13.987 -5.255 0.832 1.00 62.31 N ATOM 114 NH2 ARG A 7 14.112 -7.542 0.985 1.00 23.10 N ATOM 0 H ARG A 7 10.706 -5.622 -5.106 1.00 1.40 H new ATOM 0 HA ARG A 7 8.686 -5.583 -3.215 1.00 53.24 H new ATOM 0 HB2 ARG A 7 11.264 -4.002 -3.498 1.00 22.33 H new ATOM 0 HB3 ARG A 7 10.253 -3.894 -2.070 1.00 22.33 H new ATOM 0 HG2 ARG A 7 10.507 -6.334 -1.697 1.00 2.31 H new ATOM 0 HG3 ARG A 7 11.501 -6.456 -3.136 1.00 2.31 H new ATOM 0 HD2 ARG A 7 13.225 -5.054 -2.166 1.00 73.51 H new ATOM 0 HD3 ARG A 7 12.198 -4.620 -0.814 1.00 73.51 H new ATOM 0 HE ARG A 7 12.739 -7.507 -1.089 1.00 72.13 H new ATOM 0 HH11 ARG A 7 13.659 -4.418 0.351 1.00 62.31 H new ATOM 0 HH12 ARG A 7 14.548 -5.169 1.680 1.00 62.31 H new ATOM 0 HH21 ARG A 7 13.880 -8.466 0.622 1.00 23.10 H new ATOM 0 HH22 ARG A 7 14.672 -7.453 1.833 1.00 23.10 H new ATOM 128 N ALA A 8 8.741 -2.916 -5.079 1.00 34.54 N ATOM 129 CA ALA A 8 8.031 -1.687 -5.406 1.00 11.40 C ATOM 130 C ALA A 8 6.680 -1.985 -6.046 1.00 70.53 C ATOM 131 O ALA A 8 5.633 -1.795 -5.427 1.00 40.30 O ATOM 132 CB ALA A 8 8.875 -0.819 -6.328 1.00 74.53 C ATOM 0 H ALA A 8 9.427 -3.205 -5.776 1.00 34.54 H new ATOM 0 HA ALA A 8 7.851 -1.144 -4.478 1.00 11.40 H new ATOM 0 HB1 ALA A 8 8.332 0.096 -6.564 1.00 74.53 H new ATOM 0 HB2 ALA A 8 9.813 -0.567 -5.833 1.00 74.53 H new ATOM 0 HB3 ALA A 8 9.086 -1.364 -7.248 1.00 74.53 H new ATOM 138 N GLN A 9 6.710 -2.454 -7.290 1.00 11.35 N ATOM 139 CA GLN A 9 5.487 -2.777 -8.014 1.00 31.13 C ATOM 140 C GLN A 9 4.594 -3.698 -7.190 1.00 0.10 C ATOM 141 O GLN A 9 3.376 -3.717 -7.365 1.00 33.41 O ATOM 142 CB GLN A 9 5.822 -3.437 -9.353 1.00 52.30 C ATOM 143 CG GLN A 9 5.826 -4.955 -9.299 1.00 71.54 C ATOM 144 CD GLN A 9 4.522 -5.560 -9.781 1.00 74.10 C ATOM 145 OE1 GLN A 9 3.631 -5.871 -8.847 1.00 42.14 O flip ATOM 146 NE2 GLN A 9 4.315 -5.746 -10.981 1.00 23.25 N flip ATOM 0 H GLN A 9 7.568 -2.618 -7.817 1.00 11.35 H new ATOM 0 HA GLN A 9 4.948 -1.848 -8.199 1.00 31.13 H new ATOM 0 HB2 GLN A 9 5.099 -3.110 -10.100 1.00 52.30 H new ATOM 0 HB3 GLN A 9 6.801 -3.091 -9.684 1.00 52.30 H new ATOM 0 HG2 GLN A 9 6.646 -5.334 -9.909 1.00 71.54 H new ATOM 0 HG3 GLN A 9 6.015 -5.278 -8.275 1.00 71.54 H new ATOM 0 HE21 GLN A 9 5.027 -5.493 -11.667 1.00 23.25 H new ATOM 0 HE22 GLN A 9 3.432 -6.153 -11.289 1.00 23.25 H new ATOM 155 N TRP A 10 5.207 -4.460 -6.292 1.00 2.04 N ATOM 156 CA TRP A 10 4.467 -5.384 -5.440 1.00 34.10 C ATOM 157 C TRP A 10 3.751 -4.638 -4.319 1.00 51.33 C ATOM 158 O TRP A 10 2.713 -5.082 -3.829 1.00 51.11 O ATOM 159 CB TRP A 10 5.410 -6.433 -4.848 1.00 41.25 C ATOM 160 CG TRP A 10 4.702 -7.492 -4.060 1.00 31.12 C ATOM 161 CD1 TRP A 10 5.020 -7.931 -2.806 1.00 61.14 C ATOM 162 CD2 TRP A 10 3.558 -8.246 -4.473 1.00 24.52 C ATOM 163 NE1 TRP A 10 4.142 -8.913 -2.415 1.00 1.12 N ATOM 164 CE2 TRP A 10 3.235 -9.125 -3.419 1.00 43.24 C ATOM 165 CE3 TRP A 10 2.773 -8.265 -5.629 1.00 10.10 C ATOM 166 CZ2 TRP A 10 2.163 -10.010 -3.491 1.00 13.23 C ATOM 167 CZ3 TRP A 10 1.710 -9.144 -5.698 1.00 22.22 C ATOM 168 CH2 TRP A 10 1.411 -10.007 -4.635 1.00 4.43 C ATOM 0 H TRP A 10 6.215 -4.457 -6.135 1.00 2.04 H new ATOM 0 HA TRP A 10 3.719 -5.884 -6.055 1.00 34.10 H new ATOM 0 HB2 TRP A 10 5.970 -6.905 -5.656 1.00 41.25 H new ATOM 0 HB3 TRP A 10 6.136 -5.936 -4.205 1.00 41.25 H new ATOM 0 HD1 TRP A 10 5.841 -7.561 -2.210 1.00 61.14 H new ATOM 0 HE1 TRP A 10 4.162 -9.405 -1.521 1.00 1.12 H new ATOM 0 HE3 TRP A 10 2.994 -7.604 -6.454 1.00 10.10 H new ATOM 0 HZ2 TRP A 10 1.932 -10.676 -2.673 1.00 13.23 H new ATOM 0 HZ3 TRP A 10 1.098 -9.167 -6.587 1.00 22.22 H new ATOM 0 HH2 TRP A 10 0.572 -10.682 -4.720 1.00 4.43 H new ATOM 179 N PHE A 11 4.312 -3.501 -3.919 1.00 34.22 N ATOM 180 CA PHE A 11 3.726 -2.693 -2.856 1.00 33.03 C ATOM 181 C PHE A 11 2.375 -2.126 -3.284 1.00 45.51 C ATOM 182 O PHE A 11 1.378 -2.271 -2.580 1.00 35.15 O ATOM 183 CB PHE A 11 4.672 -1.554 -2.471 1.00 61.13 C ATOM 184 CG PHE A 11 3.964 -0.331 -1.965 1.00 53.34 C ATOM 185 CD1 PHE A 11 3.401 0.576 -2.850 1.00 71.33 C ATOM 186 CD2 PHE A 11 3.859 -0.086 -0.606 1.00 61.30 C ATOM 187 CE1 PHE A 11 2.748 1.703 -2.387 1.00 13.23 C ATOM 188 CE2 PHE A 11 3.207 1.039 -0.136 1.00 43.24 C ATOM 189 CZ PHE A 11 2.650 1.933 -1.028 1.00 51.45 C ATOM 0 H PHE A 11 5.171 -3.119 -4.315 1.00 34.22 H new ATOM 0 HA PHE A 11 3.571 -3.336 -1.989 1.00 33.03 H new ATOM 0 HB2 PHE A 11 5.361 -1.908 -1.704 1.00 61.13 H new ATOM 0 HB3 PHE A 11 5.273 -1.283 -3.339 1.00 61.13 H new ATOM 0 HD1 PHE A 11 3.474 0.400 -3.913 1.00 71.33 H new ATOM 0 HD2 PHE A 11 4.292 -0.783 0.096 1.00 61.30 H new ATOM 0 HE1 PHE A 11 2.315 2.403 -3.086 1.00 13.23 H new ATOM 0 HE2 PHE A 11 3.134 1.218 0.927 1.00 43.24 H new ATOM 0 HZ PHE A 11 2.138 2.812 -0.664 1.00 51.45 H new ATOM 199 N ALA A 12 2.355 -1.478 -4.444 1.00 52.32 N ATOM 200 CA ALA A 12 1.129 -0.889 -4.968 1.00 73.24 C ATOM 201 C ALA A 12 0.047 -1.948 -5.152 1.00 74.03 C ATOM 202 O ALA A 12 -1.146 -1.639 -5.143 1.00 43.42 O ATOM 203 CB ALA A 12 1.405 -0.179 -6.285 1.00 35.22 C ATOM 0 H ALA A 12 3.174 -1.348 -5.038 1.00 52.32 H new ATOM 0 HA ALA A 12 0.767 -0.159 -4.244 1.00 73.24 H new ATOM 0 HB1 ALA A 12 0.480 0.256 -6.665 1.00 35.22 H new ATOM 0 HB2 ALA A 12 2.139 0.611 -6.126 1.00 35.22 H new ATOM 0 HB3 ALA A 12 1.794 -0.895 -7.010 1.00 35.22 H new ATOM 209 N ILE A 13 0.470 -3.196 -5.320 1.00 32.51 N ATOM 210 CA ILE A 13 -0.464 -4.300 -5.506 1.00 20.13 C ATOM 211 C ILE A 13 -1.348 -4.486 -4.277 1.00 44.12 C ATOM 212 O ILE A 13 -2.549 -4.721 -4.396 1.00 31.22 O ATOM 213 CB ILE A 13 0.275 -5.619 -5.797 1.00 21.44 C ATOM 214 CG1 ILE A 13 0.515 -5.774 -7.300 1.00 65.13 C ATOM 215 CG2 ILE A 13 -0.517 -6.801 -5.258 1.00 34.11 C ATOM 216 CD1 ILE A 13 -0.492 -6.671 -7.984 1.00 44.03 C ATOM 0 H ILE A 13 1.453 -3.468 -5.331 1.00 32.51 H new ATOM 0 HA ILE A 13 -1.087 -4.045 -6.363 1.00 20.13 H new ATOM 0 HB ILE A 13 1.242 -5.594 -5.294 1.00 21.44 H new ATOM 0 HG12 ILE A 13 0.489 -4.790 -7.767 1.00 65.13 H new ATOM 0 HG13 ILE A 13 1.515 -6.176 -7.460 1.00 65.13 H new ATOM 0 HG21 ILE A 13 0.019 -7.726 -5.472 1.00 34.11 H new ATOM 0 HG22 ILE A 13 -0.641 -6.695 -4.180 1.00 34.11 H new ATOM 0 HG23 ILE A 13 -1.497 -6.831 -5.735 1.00 34.11 H new ATOM 0 HD11 ILE A 13 -0.260 -6.734 -9.047 1.00 44.03 H new ATOM 0 HD12 ILE A 13 -0.450 -7.667 -7.543 1.00 44.03 H new ATOM 0 HD13 ILE A 13 -1.493 -6.259 -7.855 1.00 44.03 H new ATOM 228 N GLN A 14 -0.743 -4.376 -3.099 1.00 20.44 N ATOM 229 CA GLN A 14 -1.476 -4.532 -1.848 1.00 2.20 C ATOM 230 C GLN A 14 -1.721 -3.179 -1.189 1.00 40.42 C ATOM 231 O GLN A 14 -2.368 -3.092 -0.144 1.00 73.44 O ATOM 232 CB GLN A 14 -0.708 -5.446 -0.892 1.00 3.31 C ATOM 233 CG GLN A 14 0.207 -6.434 -1.598 1.00 71.21 C ATOM 234 CD GLN A 14 1.166 -7.124 -0.648 1.00 14.33 C ATOM 235 OE1 GLN A 14 2.312 -7.546 -1.167 1.00 3.22 O flip ATOM 236 NE2 GLN A 14 0.879 -7.275 0.540 1.00 43.54 N flip ATOM 0 H GLN A 14 0.251 -4.180 -2.984 1.00 20.44 H new ATOM 0 HA GLN A 14 -2.441 -4.985 -2.076 1.00 2.20 H new ATOM 0 HB2 GLN A 14 -0.113 -4.832 -0.215 1.00 3.31 H new ATOM 0 HB3 GLN A 14 -1.421 -5.998 -0.279 1.00 3.31 H new ATOM 0 HG2 GLN A 14 -0.398 -7.185 -2.106 1.00 71.21 H new ATOM 0 HG3 GLN A 14 0.776 -5.911 -2.366 1.00 71.21 H new ATOM 0 HE21 GLN A 14 -0.014 -6.934 0.896 1.00 43.54 H new ATOM 0 HE22 GLN A 14 1.534 -7.741 1.168 1.00 43.54 H new ATOM 245 N HIS A 15 -1.198 -2.122 -1.805 1.00 73.31 N ATOM 246 CA HIS A 15 -1.360 -0.772 -1.278 1.00 22.42 C ATOM 247 C HIS A 15 -2.056 0.128 -2.295 1.00 50.31 C ATOM 248 O HIS A 15 -2.404 1.269 -1.991 1.00 12.11 O ATOM 249 CB HIS A 15 0.000 -0.181 -0.903 1.00 23.51 C ATOM 250 CG HIS A 15 0.452 -0.549 0.477 1.00 62.14 C ATOM 251 ND1 HIS A 15 1.549 -1.222 0.899 1.00 33.52 N flip ATOM 252 CD2 HIS A 15 -0.255 -0.221 1.613 1.00 53.30 C flip ATOM 253 CE1 HIS A 15 1.484 -1.286 2.269 1.00 50.45 C flip ATOM 254 NE2 HIS A 15 0.386 -0.676 2.675 1.00 33.41 N flip ATOM 0 H HIS A 15 -0.659 -2.175 -2.669 1.00 73.31 H new ATOM 0 HA HIS A 15 -1.981 -0.830 -0.384 1.00 22.42 H new ATOM 0 HB2 HIS A 15 0.745 -0.519 -1.623 1.00 23.51 H new ATOM 0 HB3 HIS A 15 -0.050 0.905 -0.983 1.00 23.51 H new ATOM 0 HD1 HIS A 15 2.286 -1.609 0.309 1.00 33.52 H new ATOM 0 HD2 HIS A 15 -1.188 0.323 1.632 1.00 53.30 H new ATOM 0 HE1 HIS A 15 2.213 -1.759 2.910 1.00 50.45 H new ATOM 263 N ILE A 16 -2.253 -0.393 -3.501 1.00 55.23 N ATOM 264 CA ILE A 16 -2.908 0.363 -4.561 1.00 51.14 C ATOM 265 C ILE A 16 -3.833 -0.528 -5.383 1.00 11.53 C ATOM 266 O ILE A 16 -3.442 -1.610 -5.820 1.00 43.04 O ATOM 267 CB ILE A 16 -1.880 1.021 -5.501 1.00 23.42 C ATOM 268 CG1 ILE A 16 -1.580 2.450 -5.045 1.00 12.43 C ATOM 269 CG2 ILE A 16 -2.390 1.012 -6.934 1.00 22.35 C ATOM 270 CD1 ILE A 16 -0.550 2.529 -3.940 1.00 3.05 C ATOM 0 H ILE A 16 -1.969 -1.335 -3.768 1.00 55.23 H new ATOM 0 HA ILE A 16 -3.496 1.142 -4.075 1.00 51.14 H new ATOM 0 HB ILE A 16 -0.955 0.446 -5.462 1.00 23.42 H new ATOM 0 HG12 ILE A 16 -1.229 3.029 -5.899 1.00 12.43 H new ATOM 0 HG13 ILE A 16 -2.504 2.915 -4.703 1.00 12.43 H new ATOM 0 HG21 ILE A 16 -1.652 1.480 -7.586 1.00 22.35 H new ATOM 0 HG22 ILE A 16 -2.556 -0.016 -7.255 1.00 22.35 H new ATOM 0 HG23 ILE A 16 -3.327 1.566 -6.990 1.00 22.35 H new ATOM 0 HD11 ILE A 16 -0.388 3.572 -3.668 1.00 3.05 H new ATOM 0 HD12 ILE A 16 -0.907 1.978 -3.070 1.00 3.05 H new ATOM 0 HD13 ILE A 16 0.388 2.094 -4.285 1.00 3.05 H new ATOM 282 N SER A 17 -5.062 -0.065 -5.589 1.00 22.14 N ATOM 283 CA SER A 17 -6.045 -0.822 -6.357 1.00 2.43 C ATOM 284 C SER A 17 -7.199 0.074 -6.794 1.00 44.44 C ATOM 285 O SER A 17 -7.996 0.527 -5.971 1.00 1.51 O ATOM 286 CB SER A 17 -6.579 -1.992 -5.528 1.00 65.52 C ATOM 287 OG SER A 17 -5.542 -2.603 -4.780 1.00 24.22 O ATOM 0 H SER A 17 -5.401 0.830 -5.235 1.00 22.14 H new ATOM 0 HA SER A 17 -5.552 -1.212 -7.248 1.00 2.43 H new ATOM 0 HB2 SER A 17 -7.358 -1.638 -4.853 1.00 65.52 H new ATOM 0 HB3 SER A 17 -7.039 -2.729 -6.187 1.00 65.52 H new ATOM 0 HG SER A 17 -4.717 -2.609 -5.309 1.00 24.22 H new ATOM 293 N LEU A 18 -7.282 0.327 -8.095 1.00 73.11 N ATOM 294 CA LEU A 18 -8.338 1.169 -8.646 1.00 15.45 C ATOM 295 C LEU A 18 -9.701 0.499 -8.500 1.00 31.51 C ATOM 296 O LEU A 18 -10.637 1.083 -7.957 1.00 13.41 O ATOM 297 CB LEU A 18 -8.062 1.473 -10.119 1.00 3.21 C ATOM 298 CG LEU A 18 -6.589 1.520 -10.528 1.00 55.34 C ATOM 299 CD1 LEU A 18 -6.445 2.060 -11.943 1.00 53.20 C ATOM 300 CD2 LEU A 18 -5.790 2.368 -9.549 1.00 3.31 C ATOM 0 H LEU A 18 -6.630 -0.039 -8.789 1.00 73.11 H new ATOM 0 HA LEU A 18 -8.351 2.104 -8.086 1.00 15.45 H new ATOM 0 HB2 LEU A 18 -8.563 0.719 -10.726 1.00 3.21 H new ATOM 0 HB3 LEU A 18 -8.517 2.433 -10.363 1.00 3.21 H new ATOM 0 HG LEU A 18 -6.193 0.505 -10.506 1.00 55.34 H new ATOM 0 HD11 LEU A 18 -5.390 2.086 -12.217 1.00 53.20 H new ATOM 0 HD12 LEU A 18 -6.984 1.414 -12.636 1.00 53.20 H new ATOM 0 HD13 LEU A 18 -6.858 3.068 -11.992 1.00 53.20 H new ATOM 0 HD21 LEU A 18 -4.744 2.390 -9.856 1.00 3.31 H new ATOM 0 HD22 LEU A 18 -6.187 3.383 -9.539 1.00 3.31 H new ATOM 0 HD23 LEU A 18 -5.866 1.939 -8.550 1.00 3.31 H new ATOM 312 N ASN A 19 -9.803 -0.733 -8.989 1.00 73.10 N ATOM 313 CA ASN A 19 -11.051 -1.485 -8.912 1.00 51.32 C ATOM 314 C ASN A 19 -10.828 -2.841 -8.250 1.00 33.31 C ATOM 315 O ASN A 19 -11.032 -3.895 -8.854 1.00 63.23 O ATOM 316 CB ASN A 19 -11.640 -1.678 -10.310 1.00 55.35 C ATOM 317 CG ASN A 19 -10.571 -1.864 -11.369 1.00 2.10 C ATOM 318 OD1 ASN A 19 -9.987 -0.760 -11.821 1.00 33.43 O flip ATOM 319 ND2 ASN A 19 -10.272 -2.987 -11.775 1.00 24.51 N flip ATOM 0 H ASN A 19 -9.037 -1.232 -9.442 1.00 73.10 H new ATOM 0 HA ASN A 19 -11.754 -0.915 -8.304 1.00 51.32 H new ATOM 0 HB2 ASN A 19 -12.299 -2.546 -10.307 1.00 55.35 H new ATOM 0 HB3 ASN A 19 -12.253 -0.814 -10.565 1.00 55.35 H new ATOM 0 HD21 ASN A 19 -10.747 -3.808 -11.400 1.00 24.51 H new ATOM 0 HD22 ASN A 19 -9.550 -3.096 -12.487 1.00 24.51 H new ATOM 326 N PRO A 20 -10.402 -2.817 -6.978 1.00 64.35 N ATOM 327 CA PRO A 20 -10.145 -4.036 -6.207 1.00 22.03 C ATOM 328 C PRO A 20 -11.426 -4.787 -5.865 1.00 30.45 C ATOM 329 O PRO A 20 -12.415 -4.206 -5.419 1.00 32.32 O ATOM 330 CB PRO A 20 -9.475 -3.515 -4.933 1.00 14.42 C ATOM 331 CG PRO A 20 -9.962 -2.113 -4.795 1.00 73.44 C ATOM 332 CD PRO A 20 -10.139 -1.597 -6.197 1.00 22.41 C ATOM 0 HA PRO A 20 -9.538 -4.749 -6.764 1.00 22.03 H new ATOM 0 HB2 PRO A 20 -9.750 -4.117 -4.067 1.00 14.42 H new ATOM 0 HB3 PRO A 20 -8.389 -3.551 -5.014 1.00 14.42 H new ATOM 0 HG2 PRO A 20 -10.902 -2.079 -4.245 1.00 73.44 H new ATOM 0 HG3 PRO A 20 -9.247 -1.504 -4.242 1.00 73.44 H new ATOM 0 HD2 PRO A 20 -10.967 -0.891 -6.264 1.00 22.41 H new ATOM 0 HD3 PRO A 20 -9.248 -1.078 -6.550 1.00 22.41 H new ATOM 340 N PRO A 21 -11.412 -6.112 -6.078 1.00 2.22 N ATOM 341 CA PRO A 21 -12.566 -6.972 -5.799 1.00 4.41 C ATOM 342 C PRO A 21 -12.832 -7.116 -4.304 1.00 21.33 C ATOM 343 O PRO A 21 -12.357 -6.315 -3.499 1.00 53.41 O ATOM 344 CB PRO A 21 -12.159 -8.319 -6.402 1.00 51.13 C ATOM 345 CG PRO A 21 -10.669 -8.305 -6.391 1.00 15.22 C ATOM 346 CD PRO A 21 -10.267 -6.872 -6.608 1.00 42.42 C ATOM 0 HA PRO A 21 -13.488 -6.565 -6.214 1.00 4.41 H new ATOM 0 HB2 PRO A 21 -12.551 -9.150 -5.816 1.00 51.13 H new ATOM 0 HB3 PRO A 21 -12.546 -8.433 -7.415 1.00 51.13 H new ATOM 0 HG2 PRO A 21 -10.282 -8.680 -5.443 1.00 15.22 H new ATOM 0 HG3 PRO A 21 -10.267 -8.946 -7.175 1.00 15.22 H new ATOM 0 HD2 PRO A 21 -9.345 -6.629 -6.080 1.00 42.42 H new ATOM 0 HD3 PRO A 21 -10.096 -6.658 -7.663 1.00 42.42 H new ATOM 354 N ARG A 22 -13.593 -8.143 -3.940 1.00 2.21 N ATOM 355 CA ARG A 22 -13.922 -8.392 -2.541 1.00 51.33 C ATOM 356 C ARG A 22 -12.667 -8.707 -1.735 1.00 5.53 C ATOM 357 O ARG A 22 -11.968 -9.684 -2.007 1.00 11.12 O ATOM 358 CB ARG A 22 -14.918 -9.548 -2.428 1.00 5.20 C ATOM 359 CG ARG A 22 -16.240 -9.285 -3.129 1.00 20.42 C ATOM 360 CD ARG A 22 -17.008 -8.154 -2.463 1.00 0.21 C ATOM 361 NE ARG A 22 -18.440 -8.230 -2.736 1.00 52.44 N ATOM 362 CZ ARG A 22 -19.280 -7.218 -2.545 1.00 4.03 C ATOM 363 NH1 ARG A 22 -18.831 -6.060 -2.081 1.00 50.54 N ATOM 364 NH2 ARG A 22 -20.570 -7.364 -2.817 1.00 3.51 N ATOM 0 H ARG A 22 -13.993 -8.816 -4.594 1.00 2.21 H new ATOM 0 HA ARG A 22 -14.376 -7.489 -2.134 1.00 51.33 H new ATOM 0 HB2 ARG A 22 -14.467 -10.447 -2.848 1.00 5.20 H new ATOM 0 HB3 ARG A 22 -15.109 -9.749 -1.374 1.00 5.20 H new ATOM 0 HG2 ARG A 22 -16.056 -9.035 -4.174 1.00 20.42 H new ATOM 0 HG3 ARG A 22 -16.845 -10.192 -3.120 1.00 20.42 H new ATOM 0 HD2 ARG A 22 -16.842 -8.188 -1.386 1.00 0.21 H new ATOM 0 HD3 ARG A 22 -16.622 -7.197 -2.815 1.00 0.21 H new ATOM 0 HE ARG A 22 -18.817 -9.108 -3.093 1.00 52.44 H new ATOM 0 HH11 ARG A 22 -17.840 -5.945 -1.870 1.00 50.54 H new ATOM 0 HH12 ARG A 22 -19.477 -5.284 -1.935 1.00 50.54 H new ATOM 0 HH21 ARG A 22 -20.919 -8.254 -3.173 1.00 3.51 H new ATOM 0 HH22 ARG A 22 -21.213 -6.586 -2.670 1.00 3.51 H new ATOM 378 N CYS A 23 -12.383 -7.871 -0.740 1.00 32.51 N ATOM 379 CA CYS A 23 -11.211 -8.058 0.106 1.00 22.53 C ATOM 380 C CYS A 23 -10.976 -9.540 0.390 1.00 15.43 C ATOM 381 O CYS A 23 -9.848 -9.964 0.641 1.00 4.31 O ATOM 382 CB CYS A 23 -11.379 -7.295 1.422 1.00 32.32 C ATOM 383 SG CYS A 23 -11.708 -5.516 1.213 1.00 31.40 S ATOM 0 H CYS A 23 -12.950 -7.057 -0.501 1.00 32.51 H new ATOM 0 HA CYS A 23 -10.344 -7.666 -0.425 1.00 22.53 H new ATOM 0 HB2 CYS A 23 -12.198 -7.741 1.986 1.00 32.32 H new ATOM 0 HB3 CYS A 23 -10.476 -7.419 2.019 1.00 32.32 H new ATOM 388 N THR A 24 -12.051 -10.321 0.349 1.00 21.05 N ATOM 389 CA THR A 24 -11.962 -11.754 0.603 1.00 33.11 C ATOM 390 C THR A 24 -11.062 -12.439 -0.418 1.00 20.53 C ATOM 391 O THR A 24 -10.142 -13.172 -0.055 1.00 23.13 O ATOM 392 CB THR A 24 -13.353 -12.416 0.571 1.00 23.12 C ATOM 393 OG1 THR A 24 -14.037 -12.182 1.807 1.00 3.33 O ATOM 394 CG2 THR A 24 -13.233 -13.914 0.328 1.00 53.15 C ATOM 0 H THR A 24 -12.992 -9.986 0.143 1.00 21.05 H new ATOM 0 HA THR A 24 -11.533 -11.873 1.598 1.00 33.11 H new ATOM 0 HB THR A 24 -13.922 -11.974 -0.247 1.00 23.12 H new ATOM 0 HG1 THR A 24 -14.921 -12.605 1.777 1.00 3.33 H new ATOM 0 HG21 THR A 24 -14.227 -14.360 0.309 1.00 53.15 H new ATOM 0 HG22 THR A 24 -12.739 -14.089 -0.628 1.00 53.15 H new ATOM 0 HG23 THR A 24 -12.647 -14.367 1.128 1.00 53.15 H new ATOM 402 N ILE A 25 -11.332 -12.196 -1.696 1.00 53.43 N ATOM 403 CA ILE A 25 -10.543 -12.788 -2.769 1.00 13.15 C ATOM 404 C ILE A 25 -9.391 -11.875 -3.173 1.00 52.32 C ATOM 405 O ILE A 25 -8.292 -12.340 -3.469 1.00 3.23 O ATOM 406 CB ILE A 25 -11.410 -13.082 -4.008 1.00 12.12 C ATOM 407 CG1 ILE A 25 -12.812 -13.522 -3.583 1.00 71.20 C ATOM 408 CG2 ILE A 25 -10.754 -14.146 -4.873 1.00 24.55 C ATOM 409 CD1 ILE A 25 -13.801 -13.576 -4.727 1.00 33.51 C ATOM 0 H ILE A 25 -12.091 -11.593 -2.014 1.00 53.43 H new ATOM 0 HA ILE A 25 -10.142 -13.726 -2.385 1.00 13.15 H new ATOM 0 HB ILE A 25 -11.499 -12.169 -4.596 1.00 12.12 H new ATOM 0 HG12 ILE A 25 -12.750 -14.507 -3.120 1.00 71.20 H new ATOM 0 HG13 ILE A 25 -13.185 -12.835 -2.823 1.00 71.20 H new ATOM 0 HG21 ILE A 25 -11.379 -14.343 -5.744 1.00 24.55 H new ATOM 0 HG22 ILE A 25 -9.775 -13.796 -5.200 1.00 24.55 H new ATOM 0 HG23 ILE A 25 -10.637 -15.063 -4.296 1.00 24.55 H new ATOM 0 HD11 ILE A 25 -14.774 -13.895 -4.352 1.00 33.51 H new ATOM 0 HD12 ILE A 25 -13.892 -12.587 -5.176 1.00 33.51 H new ATOM 0 HD13 ILE A 25 -13.451 -14.285 -5.478 1.00 33.51 H new ATOM 421 N ALA A 26 -9.652 -10.572 -3.182 1.00 45.42 N ATOM 422 CA ALA A 26 -8.636 -9.592 -3.546 1.00 41.21 C ATOM 423 C ALA A 26 -7.370 -9.779 -2.716 1.00 53.43 C ATOM 424 O ALA A 26 -6.314 -9.242 -3.048 1.00 23.52 O ATOM 425 CB ALA A 26 -9.177 -8.181 -3.376 1.00 74.20 C ATOM 0 H ALA A 26 -10.558 -10.171 -2.941 1.00 45.42 H new ATOM 0 HA ALA A 26 -8.378 -9.746 -4.594 1.00 41.21 H new ATOM 0 HB1 ALA A 26 -8.407 -7.460 -3.652 1.00 74.20 H new ATOM 0 HB2 ALA A 26 -10.047 -8.045 -4.018 1.00 74.20 H new ATOM 0 HB3 ALA A 26 -9.465 -8.025 -2.336 1.00 74.20 H new ATOM 431 N MET A 27 -7.486 -10.541 -1.634 1.00 1.15 N ATOM 432 CA MET A 27 -6.350 -10.798 -0.755 1.00 63.51 C ATOM 433 C MET A 27 -5.804 -12.206 -0.971 1.00 71.35 C ATOM 434 O MET A 27 -5.146 -12.768 -0.096 1.00 11.13 O ATOM 435 CB MET A 27 -6.758 -10.617 0.708 1.00 40.14 C ATOM 436 CG MET A 27 -7.864 -11.559 1.152 1.00 73.22 C ATOM 437 SD MET A 27 -7.235 -13.150 1.721 1.00 3.20 S ATOM 438 CE MET A 27 -6.138 -12.629 3.037 1.00 10.35 C ATOM 0 H MET A 27 -8.354 -10.991 -1.344 1.00 1.15 H new ATOM 0 HA MET A 27 -5.566 -10.081 -0.997 1.00 63.51 H new ATOM 0 HB2 MET A 27 -5.885 -10.771 1.342 1.00 40.14 H new ATOM 0 HB3 MET A 27 -7.085 -9.589 0.861 1.00 40.14 H new ATOM 0 HG2 MET A 27 -8.435 -11.091 1.954 1.00 73.22 H new ATOM 0 HG3 MET A 27 -8.553 -11.721 0.323 1.00 73.22 H new ATOM 0 HE1 MET A 27 -5.103 -12.780 2.729 1.00 10.35 H new ATOM 0 HE2 MET A 27 -6.302 -11.573 3.251 1.00 10.35 H new ATOM 0 HE3 MET A 27 -6.340 -13.216 3.933 1.00 10.35 H new ATOM 448 N ARG A 28 -6.081 -12.770 -2.143 1.00 2.13 N ATOM 449 CA ARG A 28 -5.618 -14.113 -2.473 1.00 31.15 C ATOM 450 C ARG A 28 -4.178 -14.083 -2.977 1.00 74.32 C ATOM 451 O ARG A 28 -3.249 -14.443 -2.255 1.00 34.41 O ATOM 452 CB ARG A 28 -6.527 -14.744 -3.530 1.00 12.20 C ATOM 453 CG ARG A 28 -7.666 -15.561 -2.944 1.00 22.20 C ATOM 454 CD ARG A 28 -8.042 -16.723 -3.850 1.00 54.53 C ATOM 455 NE ARG A 28 -8.853 -16.290 -4.986 1.00 4.14 N ATOM 456 CZ ARG A 28 -9.684 -17.092 -5.643 1.00 14.43 C ATOM 457 NH1 ARG A 28 -9.814 -18.360 -5.279 1.00 3.50 N ATOM 458 NH2 ARG A 28 -10.389 -16.625 -6.665 1.00 45.23 N ATOM 0 H ARG A 28 -6.623 -12.318 -2.879 1.00 2.13 H new ATOM 0 HA ARG A 28 -5.655 -14.716 -1.566 1.00 31.15 H new ATOM 0 HB2 ARG A 28 -6.942 -13.955 -4.158 1.00 12.20 H new ATOM 0 HB3 ARG A 28 -5.927 -15.384 -4.177 1.00 12.20 H new ATOM 0 HG2 ARG A 28 -7.376 -15.941 -1.964 1.00 22.20 H new ATOM 0 HG3 ARG A 28 -8.535 -14.920 -2.793 1.00 22.20 H new ATOM 0 HD2 ARG A 28 -7.136 -17.207 -4.215 1.00 54.53 H new ATOM 0 HD3 ARG A 28 -8.592 -17.468 -3.275 1.00 54.53 H new ATOM 0 HE ARG A 28 -8.777 -15.320 -5.291 1.00 4.14 H new ATOM 0 HH11 ARG A 28 -9.275 -18.723 -4.492 1.00 3.50 H new ATOM 0 HH12 ARG A 28 -10.453 -18.973 -5.785 1.00 3.50 H new ATOM 0 HH21 ARG A 28 -10.293 -15.649 -6.947 1.00 45.23 H new ATOM 0 HH22 ARG A 28 -11.027 -17.241 -7.169 1.00 45.23 H new ATOM 472 N ALA A 29 -4.002 -13.651 -4.222 1.00 3.41 N ATOM 473 CA ALA A 29 -2.676 -13.573 -4.822 1.00 3.55 C ATOM 474 C ALA A 29 -1.792 -12.581 -4.072 1.00 63.53 C ATOM 475 O ALA A 29 -0.571 -12.735 -4.030 1.00 1.45 O ATOM 476 CB ALA A 29 -2.782 -13.184 -6.289 1.00 74.51 C ATOM 0 H ALA A 29 -4.761 -13.350 -4.834 1.00 3.41 H new ATOM 0 HA ALA A 29 -2.214 -14.558 -4.751 1.00 3.55 H new ATOM 0 HB1 ALA A 29 -1.784 -13.130 -6.724 1.00 74.51 H new ATOM 0 HB2 ALA A 29 -3.370 -13.931 -6.822 1.00 74.51 H new ATOM 0 HB3 ALA A 29 -3.268 -12.212 -6.373 1.00 74.51 H new ATOM 482 N ILE A 30 -2.416 -11.565 -3.486 1.00 60.42 N ATOM 483 CA ILE A 30 -1.684 -10.549 -2.739 1.00 31.34 C ATOM 484 C ILE A 30 -1.004 -11.152 -1.515 1.00 3.34 C ATOM 485 O ILE A 30 0.218 -11.293 -1.478 1.00 11.45 O ATOM 486 CB ILE A 30 -2.612 -9.407 -2.286 1.00 73.50 C ATOM 487 CG1 ILE A 30 -2.881 -8.448 -3.449 1.00 23.34 C ATOM 488 CG2 ILE A 30 -2.001 -8.663 -1.109 1.00 12.44 C ATOM 489 CD1 ILE A 30 -3.767 -9.035 -4.524 1.00 20.32 C ATOM 0 H ILE A 30 -3.426 -11.423 -3.514 1.00 60.42 H new ATOM 0 HA ILE A 30 -0.927 -10.146 -3.411 1.00 31.34 H new ATOM 0 HB ILE A 30 -3.562 -9.835 -1.966 1.00 73.50 H new ATOM 0 HG12 ILE A 30 -3.346 -7.541 -3.061 1.00 23.34 H new ATOM 0 HG13 ILE A 30 -1.930 -8.154 -3.894 1.00 23.34 H new ATOM 0 HG21 ILE A 30 -2.669 -7.859 -0.801 1.00 12.44 H new ATOM 0 HG22 ILE A 30 -1.856 -9.353 -0.278 1.00 12.44 H new ATOM 0 HG23 ILE A 30 -1.039 -8.243 -1.404 1.00 12.44 H new ATOM 0 HD11 ILE A 30 -3.914 -8.300 -5.315 1.00 20.32 H new ATOM 0 HD12 ILE A 30 -3.294 -9.925 -4.939 1.00 20.32 H new ATOM 0 HD13 ILE A 30 -4.732 -9.303 -4.094 1.00 20.32 H new ATOM 501 N ASN A 31 -1.804 -11.507 -0.514 1.00 4.22 N ATOM 502 CA ASN A 31 -1.278 -12.095 0.712 1.00 35.23 C ATOM 503 C ASN A 31 -0.344 -13.260 0.401 1.00 71.44 C ATOM 504 O ASN A 31 0.393 -13.728 1.267 1.00 50.04 O ATOM 505 CB ASN A 31 -2.425 -12.572 1.606 1.00 74.41 C ATOM 506 CG ASN A 31 -2.873 -11.508 2.588 1.00 10.45 C ATOM 507 OD1 ASN A 31 -2.458 -11.503 3.748 1.00 55.25 O ATOM 508 ND2 ASN A 31 -3.726 -10.599 2.128 1.00 25.32 N ATOM 0 H ASN A 31 -2.818 -11.398 -0.528 1.00 4.22 H new ATOM 0 HA ASN A 31 -0.710 -11.328 1.238 1.00 35.23 H new ATOM 0 HB2 ASN A 31 -3.270 -12.866 0.983 1.00 74.41 H new ATOM 0 HB3 ASN A 31 -2.109 -13.459 2.155 1.00 74.41 H new ATOM 0 HD21 ASN A 31 -4.063 -9.859 2.743 1.00 25.32 H new ATOM 0 HD22 ASN A 31 -4.043 -10.641 1.160 1.00 25.32 H new ATOM 515 N ASN A 32 -0.381 -13.724 -0.845 1.00 63.10 N ATOM 516 CA ASN A 32 0.462 -14.834 -1.273 1.00 11.01 C ATOM 517 C ASN A 32 1.920 -14.587 -0.896 1.00 35.21 C ATOM 518 O ASN A 32 2.692 -15.528 -0.712 1.00 63.12 O ATOM 519 CB ASN A 32 0.342 -15.041 -2.784 1.00 11.20 C ATOM 520 CG ASN A 32 0.873 -16.391 -3.227 1.00 71.33 C ATOM 521 OD1 ASN A 32 2.083 -16.589 -3.336 1.00 21.13 O ATOM 522 ND2 ASN A 32 -0.034 -17.326 -3.486 1.00 70.12 N ATOM 0 H ASN A 32 -0.986 -13.348 -1.575 1.00 63.10 H new ATOM 0 HA ASN A 32 0.121 -15.734 -0.762 1.00 11.01 H new ATOM 0 HB2 ASN A 32 -0.704 -14.951 -3.078 1.00 11.20 H new ATOM 0 HB3 ASN A 32 0.888 -14.252 -3.301 1.00 11.20 H new ATOM 0 HD21 ASN A 32 0.262 -18.254 -3.789 1.00 70.12 H new ATOM 0 HD22 ASN A 32 -1.027 -17.116 -3.382 1.00 70.12 H new ATOM 529 N TYR A 33 2.289 -13.316 -0.783 1.00 71.52 N ATOM 530 CA TYR A 33 3.653 -12.945 -0.430 1.00 41.21 C ATOM 531 C TYR A 33 4.015 -13.455 0.962 1.00 75.13 C ATOM 532 O TYR A 33 5.179 -13.730 1.250 1.00 5.33 O ATOM 533 CB TYR A 33 3.822 -11.425 -0.487 1.00 72.41 C ATOM 534 CG TYR A 33 3.315 -10.713 0.746 1.00 11.01 C ATOM 535 CD1 TYR A 33 4.088 -10.641 1.898 1.00 15.12 C ATOM 536 CD2 TYR A 33 2.063 -10.111 0.758 1.00 13.44 C ATOM 537 CE1 TYR A 33 3.628 -9.991 3.028 1.00 30.52 C ATOM 538 CE2 TYR A 33 1.595 -9.458 1.883 1.00 52.42 C ATOM 539 CZ TYR A 33 2.381 -9.401 3.015 1.00 23.05 C ATOM 540 OH TYR A 33 1.920 -8.753 4.137 1.00 14.25 O ATOM 0 H TYR A 33 1.662 -12.525 -0.931 1.00 71.52 H new ATOM 0 HA TYR A 33 4.325 -13.407 -1.153 1.00 41.21 H new ATOM 0 HB2 TYR A 33 4.878 -11.190 -0.624 1.00 72.41 H new ATOM 0 HB3 TYR A 33 3.294 -11.042 -1.360 1.00 72.41 H new ATOM 0 HD1 TYR A 33 5.065 -11.101 1.911 1.00 15.12 H new ATOM 0 HD2 TYR A 33 1.445 -10.154 -0.127 1.00 13.44 H new ATOM 0 HE1 TYR A 33 4.241 -9.945 3.916 1.00 30.52 H new ATOM 0 HE2 TYR A 33 0.619 -8.995 1.876 1.00 52.42 H new ATOM 0 HH TYR A 33 1.745 -7.813 3.923 1.00 14.25 H new ATOM 550 N ARG A 34 3.007 -13.580 1.819 1.00 74.45 N ATOM 551 CA ARG A 34 3.217 -14.058 3.180 1.00 12.41 C ATOM 552 C ARG A 34 2.602 -15.440 3.372 1.00 22.42 C ATOM 553 O ARG A 34 2.048 -16.019 2.438 1.00 13.11 O ATOM 554 CB ARG A 34 2.614 -13.075 4.186 1.00 23.31 C ATOM 555 CG ARG A 34 3.627 -12.107 4.774 1.00 4.41 C ATOM 556 CD ARG A 34 4.250 -12.658 6.047 1.00 22.11 C ATOM 557 NE ARG A 34 5.058 -11.657 6.739 1.00 23.22 N ATOM 558 CZ ARG A 34 5.833 -11.931 7.783 1.00 31.42 C ATOM 559 NH1 ARG A 34 5.904 -13.169 8.252 1.00 21.14 N ATOM 560 NH2 ARG A 34 6.538 -10.966 8.359 1.00 62.42 N ATOM 0 H ARG A 34 2.037 -13.357 1.595 1.00 74.45 H new ATOM 0 HA ARG A 34 4.291 -14.131 3.352 1.00 12.41 H new ATOM 0 HB2 ARG A 34 1.823 -12.507 3.696 1.00 23.31 H new ATOM 0 HB3 ARG A 34 2.149 -13.637 4.996 1.00 23.31 H new ATOM 0 HG2 ARG A 34 4.409 -11.908 4.042 1.00 4.41 H new ATOM 0 HG3 ARG A 34 3.141 -11.155 4.988 1.00 4.41 H new ATOM 0 HD2 ARG A 34 3.462 -13.011 6.713 1.00 22.11 H new ATOM 0 HD3 ARG A 34 4.871 -13.520 5.803 1.00 22.11 H new ATOM 0 HE ARG A 34 5.026 -10.695 6.402 1.00 23.22 H new ATOM 0 HH11 ARG A 34 5.363 -13.913 7.811 1.00 21.14 H new ATOM 0 HH12 ARG A 34 6.499 -13.377 9.053 1.00 21.14 H new ATOM 0 HH21 ARG A 34 6.485 -10.013 8.001 1.00 62.42 H new ATOM 0 HH22 ARG A 34 7.133 -11.178 9.160 1.00 62.42 H new ATOM 574 N TRP A 35 2.705 -15.964 4.588 1.00 51.10 N ATOM 575 CA TRP A 35 2.160 -17.279 4.903 1.00 34.45 C ATOM 576 C TRP A 35 0.888 -17.157 5.736 1.00 2.22 C ATOM 577 O TRP A 35 0.353 -18.156 6.218 1.00 55.23 O ATOM 578 CB TRP A 35 3.196 -18.119 5.651 1.00 20.15 C ATOM 579 CG TRP A 35 4.078 -18.921 4.744 1.00 41.23 C ATOM 580 CD1 TRP A 35 4.021 -20.267 4.524 1.00 33.14 C ATOM 581 CD2 TRP A 35 5.152 -18.426 3.937 1.00 65.43 C ATOM 582 NE1 TRP A 35 4.993 -20.640 3.628 1.00 0.53 N ATOM 583 CE2 TRP A 35 5.701 -19.529 3.252 1.00 31.34 C ATOM 584 CE3 TRP A 35 5.703 -17.160 3.723 1.00 63.30 C ATOM 585 CZ2 TRP A 35 6.772 -19.401 2.372 1.00 4.42 C ATOM 586 CZ3 TRP A 35 6.767 -17.034 2.850 1.00 74.21 C ATOM 587 CH2 TRP A 35 7.291 -18.149 2.182 1.00 62.21 C ATOM 0 H TRP A 35 3.161 -15.498 5.372 1.00 51.10 H new ATOM 0 HA TRP A 35 1.911 -17.775 3.965 1.00 34.45 H new ATOM 0 HB2 TRP A 35 3.816 -17.461 6.260 1.00 20.15 H new ATOM 0 HB3 TRP A 35 2.681 -18.794 6.335 1.00 20.15 H new ATOM 0 HD1 TRP A 35 3.315 -20.940 4.987 1.00 33.14 H new ATOM 0 HE1 TRP A 35 5.160 -21.590 3.296 1.00 0.53 H new ATOM 0 HE3 TRP A 35 5.304 -16.294 4.231 1.00 63.30 H new ATOM 0 HZ2 TRP A 35 7.179 -20.259 1.858 1.00 4.42 H new ATOM 0 HZ3 TRP A 35 7.202 -16.060 2.680 1.00 74.21 H new ATOM 0 HH2 TRP A 35 8.121 -18.018 1.504 1.00 62.21 H new ATOM 598 N ARG A 36 0.412 -15.928 5.902 1.00 34.34 N ATOM 599 CA ARG A 36 -0.797 -15.675 6.679 1.00 30.31 C ATOM 600 C ARG A 36 -1.526 -14.438 6.164 1.00 64.01 C ATOM 601 O ARG A 36 -1.072 -13.782 5.226 1.00 42.30 O ATOM 602 CB ARG A 36 -0.450 -15.499 8.158 1.00 1.32 C ATOM 603 CG ARG A 36 0.209 -16.719 8.780 1.00 23.21 C ATOM 604 CD ARG A 36 0.909 -16.371 10.084 1.00 35.13 C ATOM 605 NE ARG A 36 1.700 -17.486 10.595 1.00 23.24 N ATOM 606 CZ ARG A 36 2.810 -17.928 10.013 1.00 33.11 C ATOM 607 NH1 ARG A 36 3.256 -17.351 8.906 1.00 0.42 N ATOM 608 NH2 ARG A 36 3.475 -18.948 10.539 1.00 41.15 N ATOM 0 H ARG A 36 0.844 -15.092 5.509 1.00 34.34 H new ATOM 0 HA ARG A 36 -1.457 -16.535 6.568 1.00 30.31 H new ATOM 0 HB2 ARG A 36 0.215 -14.643 8.267 1.00 1.32 H new ATOM 0 HB3 ARG A 36 -1.360 -15.267 8.711 1.00 1.32 H new ATOM 0 HG2 ARG A 36 -0.543 -17.486 8.963 1.00 23.21 H new ATOM 0 HG3 ARG A 36 0.930 -17.141 8.080 1.00 23.21 H new ATOM 0 HD2 ARG A 36 1.557 -15.508 9.929 1.00 35.13 H new ATOM 0 HD3 ARG A 36 0.167 -16.082 10.828 1.00 35.13 H new ATOM 0 HE ARG A 36 1.383 -17.952 11.446 1.00 23.24 H new ATOM 0 HH11 ARG A 36 2.747 -16.566 8.499 1.00 0.42 H new ATOM 0 HH12 ARG A 36 4.108 -17.692 8.461 1.00 0.42 H new ATOM 0 HH21 ARG A 36 3.135 -19.394 11.391 1.00 41.15 H new ATOM 0 HH22 ARG A 36 4.327 -19.287 10.092 1.00 41.15 H new ATOM 622 N CYS A 37 -2.658 -14.124 6.784 1.00 61.10 N ATOM 623 CA CYS A 37 -3.451 -12.966 6.389 1.00 52.43 C ATOM 624 C CYS A 37 -3.041 -11.730 7.185 1.00 72.33 C ATOM 625 O CYS A 37 -2.908 -11.780 8.407 1.00 31.34 O ATOM 626 CB CYS A 37 -4.941 -13.248 6.595 1.00 53.53 C ATOM 627 SG CYS A 37 -5.963 -11.750 6.776 1.00 3.14 S ATOM 0 H CYS A 37 -3.047 -14.656 7.563 1.00 61.10 H new ATOM 0 HA CYS A 37 -3.267 -12.774 5.332 1.00 52.43 H new ATOM 0 HB2 CYS A 37 -5.311 -13.827 5.749 1.00 53.53 H new ATOM 0 HB3 CYS A 37 -5.063 -13.868 7.483 1.00 53.53 H new ATOM 632 N LYS A 38 -2.844 -10.619 6.482 1.00 61.31 N ATOM 633 CA LYS A 38 -2.450 -9.369 7.120 1.00 73.54 C ATOM 634 C LYS A 38 -3.559 -8.853 8.032 1.00 53.44 C ATOM 635 O LYS A 38 -4.737 -9.121 7.806 1.00 35.33 O ATOM 636 CB LYS A 38 -2.115 -8.316 6.061 1.00 44.10 C ATOM 637 CG LYS A 38 -0.649 -8.301 5.663 1.00 44.11 C ATOM 638 CD LYS A 38 0.184 -7.477 6.631 1.00 22.23 C ATOM 639 CE LYS A 38 1.633 -7.939 6.653 1.00 62.55 C ATOM 640 NZ LYS A 38 2.266 -7.719 7.982 1.00 10.51 N ATOM 0 H LYS A 38 -2.951 -10.560 5.469 1.00 61.31 H new ATOM 0 HA LYS A 38 -1.564 -9.561 7.725 1.00 73.54 H new ATOM 0 HB2 LYS A 38 -2.722 -8.498 5.174 1.00 44.10 H new ATOM 0 HB3 LYS A 38 -2.391 -7.332 6.439 1.00 44.10 H new ATOM 0 HG2 LYS A 38 -0.269 -9.322 5.633 1.00 44.11 H new ATOM 0 HG3 LYS A 38 -0.548 -7.893 4.657 1.00 44.11 H new ATOM 0 HD2 LYS A 38 0.141 -6.426 6.346 1.00 22.23 H new ATOM 0 HD3 LYS A 38 -0.239 -7.554 7.633 1.00 22.23 H new ATOM 0 HE2 LYS A 38 1.680 -8.998 6.399 1.00 62.55 H new ATOM 0 HE3 LYS A 38 2.197 -7.403 5.889 1.00 62.55 H new ATOM 0 HZ1 LYS A 38 3.253 -8.047 7.955 1.00 10.51 H new ATOM 0 HZ2 LYS A 38 2.244 -6.705 8.213 1.00 10.51 H new ATOM 0 HZ3 LYS A 38 1.744 -8.251 8.707 1.00 10.51 H new ATOM 654 N ASN A 39 -3.171 -8.107 9.063 1.00 71.33 N ATOM 655 CA ASN A 39 -4.133 -7.552 10.008 1.00 10.53 C ATOM 656 C ASN A 39 -4.676 -6.217 9.510 1.00 35.20 C ATOM 657 O ASN A 39 -5.602 -5.656 10.096 1.00 13.33 O ATOM 658 CB ASN A 39 -3.482 -7.370 11.381 1.00 61.35 C ATOM 659 CG ASN A 39 -4.405 -6.687 12.372 1.00 70.20 C ATOM 660 OD1 ASN A 39 -4.499 -5.365 12.278 1.00 14.22 O flip ATOM 661 ND2 ASN A 39 -5.025 -7.340 13.211 1.00 3.12 N flip ATOM 0 H ASN A 39 -2.199 -7.874 9.264 1.00 71.33 H new ATOM 0 HA ASN A 39 -4.964 -8.252 10.096 1.00 10.53 H new ATOM 0 HB2 ASN A 39 -3.189 -8.344 11.773 1.00 61.35 H new ATOM 0 HB3 ASN A 39 -2.570 -6.782 11.273 1.00 61.35 H new ATOM 0 HD21 ASN A 39 -4.922 -8.354 13.246 1.00 3.12 H new ATOM 0 HD22 ASN A 39 -5.642 -6.867 13.871 1.00 3.12 H new ATOM 668 N GLN A 40 -4.096 -5.716 8.424 1.00 13.44 N ATOM 669 CA GLN A 40 -4.523 -4.446 7.848 1.00 71.13 C ATOM 670 C GLN A 40 -3.777 -4.160 6.549 1.00 24.10 C ATOM 671 O GLN A 40 -2.555 -4.290 6.483 1.00 70.14 O ATOM 672 CB GLN A 40 -4.296 -3.307 8.842 1.00 45.10 C ATOM 673 CG GLN A 40 -5.405 -2.269 8.843 1.00 12.33 C ATOM 674 CD GLN A 40 -4.948 -0.926 9.378 1.00 41.55 C ATOM 675 OE1 GLN A 40 -4.864 -0.723 10.589 1.00 11.35 O ATOM 676 NE2 GLN A 40 -4.649 0.000 8.474 1.00 10.04 N ATOM 0 H GLN A 40 -3.330 -6.169 7.926 1.00 13.44 H new ATOM 0 HA GLN A 40 -5.588 -4.517 7.627 1.00 71.13 H new ATOM 0 HB2 GLN A 40 -4.200 -3.725 9.844 1.00 45.10 H new ATOM 0 HB3 GLN A 40 -3.351 -2.816 8.609 1.00 45.10 H new ATOM 0 HG2 GLN A 40 -5.780 -2.143 7.827 1.00 12.33 H new ATOM 0 HG3 GLN A 40 -6.237 -2.632 9.447 1.00 12.33 H new ATOM 0 HE21 GLN A 40 -4.733 -0.212 7.480 1.00 10.04 H new ATOM 0 HE22 GLN A 40 -4.335 0.923 8.774 1.00 10.04 H new ATOM 685 N ASN A 41 -4.520 -3.770 5.518 1.00 32.03 N ATOM 686 CA ASN A 41 -3.928 -3.465 4.221 1.00 22.41 C ATOM 687 C ASN A 41 -4.867 -2.605 3.382 1.00 12.41 C ATOM 688 O ASN A 41 -5.865 -3.091 2.848 1.00 23.24 O ATOM 689 CB ASN A 41 -3.598 -4.758 3.472 1.00 73.55 C ATOM 690 CG ASN A 41 -2.557 -4.550 2.389 1.00 64.20 C ATOM 691 OD1 ASN A 41 -2.727 -4.997 1.254 1.00 31.31 O ATOM 692 ND2 ASN A 41 -1.472 -3.869 2.736 1.00 41.34 N ATOM 0 H ASN A 41 -5.533 -3.658 5.556 1.00 32.03 H new ATOM 0 HA ASN A 41 -3.008 -2.906 4.392 1.00 22.41 H new ATOM 0 HB2 ASN A 41 -3.237 -5.503 4.181 1.00 73.55 H new ATOM 0 HB3 ASN A 41 -4.508 -5.158 3.025 1.00 73.55 H new ATOM 0 HD21 ASN A 41 -0.737 -3.697 2.050 1.00 41.34 H new ATOM 0 HD22 ASN A 41 -1.374 -3.517 3.688 1.00 41.34 H new ATOM 699 N THR A 42 -4.542 -1.320 3.270 1.00 10.21 N ATOM 700 CA THR A 42 -5.357 -0.391 2.497 1.00 43.53 C ATOM 701 C THR A 42 -4.816 -0.233 1.080 1.00 11.52 C ATOM 702 O THR A 42 -3.606 -0.133 0.874 1.00 11.15 O ATOM 703 CB THR A 42 -5.417 0.994 3.169 1.00 52.22 C ATOM 704 OG1 THR A 42 -6.411 0.995 4.201 1.00 45.04 O ATOM 705 CG2 THR A 42 -5.738 2.077 2.149 1.00 65.55 C ATOM 0 H THR A 42 -3.721 -0.900 3.705 1.00 10.21 H new ATOM 0 HA THR A 42 -6.362 -0.811 2.454 1.00 43.53 H new ATOM 0 HB THR A 42 -4.440 1.205 3.605 1.00 52.22 H new ATOM 0 HG1 THR A 42 -6.442 1.878 4.624 1.00 45.04 H new ATOM 0 HG21 THR A 42 -5.775 3.046 2.647 1.00 65.55 H new ATOM 0 HG22 THR A 42 -4.965 2.093 1.380 1.00 65.55 H new ATOM 0 HG23 THR A 42 -6.704 1.868 1.689 1.00 65.55 H new ATOM 713 N PHE A 43 -5.720 -0.210 0.106 1.00 3.54 N ATOM 714 CA PHE A 43 -5.332 -0.063 -1.292 1.00 11.03 C ATOM 715 C PHE A 43 -5.872 1.241 -1.872 1.00 72.30 C ATOM 716 O PHE A 43 -7.077 1.389 -2.082 1.00 24.14 O ATOM 717 CB PHE A 43 -5.845 -1.250 -2.111 1.00 71.20 C ATOM 718 CG PHE A 43 -6.089 -2.484 -1.291 1.00 44.13 C ATOM 719 CD1 PHE A 43 -5.224 -2.832 -0.265 1.00 72.12 C ATOM 720 CD2 PHE A 43 -7.182 -3.297 -1.546 1.00 5.11 C ATOM 721 CE1 PHE A 43 -5.446 -3.968 0.492 1.00 44.22 C ATOM 722 CE2 PHE A 43 -7.409 -4.432 -0.792 1.00 24.32 C ATOM 723 CZ PHE A 43 -6.539 -4.769 0.228 1.00 63.05 C ATOM 0 H PHE A 43 -6.725 -0.291 0.259 1.00 3.54 H new ATOM 0 HA PHE A 43 -4.243 -0.038 -1.342 1.00 11.03 H new ATOM 0 HB2 PHE A 43 -6.772 -0.965 -2.608 1.00 71.20 H new ATOM 0 HB3 PHE A 43 -5.122 -1.481 -2.893 1.00 71.20 H new ATOM 0 HD1 PHE A 43 -4.367 -2.209 -0.055 1.00 72.12 H new ATOM 0 HD2 PHE A 43 -7.864 -3.040 -2.343 1.00 5.11 H new ATOM 0 HE1 PHE A 43 -4.765 -4.228 1.289 1.00 44.22 H new ATOM 0 HE2 PHE A 43 -8.266 -5.056 -0.999 1.00 24.32 H new ATOM 0 HZ PHE A 43 -6.714 -5.657 0.817 1.00 63.05 H new ATOM 733 N LEU A 44 -4.972 2.184 -2.129 1.00 31.21 N ATOM 734 CA LEU A 44 -5.357 3.476 -2.685 1.00 43.14 C ATOM 735 C LEU A 44 -5.717 3.349 -4.162 1.00 63.01 C ATOM 736 O LEU A 44 -4.939 2.820 -4.957 1.00 74.21 O ATOM 737 CB LEU A 44 -4.220 4.486 -2.511 1.00 53.40 C ATOM 738 CG LEU A 44 -3.250 4.213 -1.361 1.00 2.11 C ATOM 739 CD1 LEU A 44 -2.314 5.395 -1.160 1.00 34.33 C ATOM 740 CD2 LEU A 44 -4.013 3.910 -0.080 1.00 62.41 C ATOM 0 H LEU A 44 -3.971 2.078 -1.961 1.00 31.21 H new ATOM 0 HA LEU A 44 -6.236 3.829 -2.145 1.00 43.14 H new ATOM 0 HB2 LEU A 44 -3.650 4.525 -3.439 1.00 53.40 H new ATOM 0 HB3 LEU A 44 -4.657 5.474 -2.364 1.00 53.40 H new ATOM 0 HG LEU A 44 -2.649 3.340 -1.617 1.00 2.11 H new ATOM 0 HD11 LEU A 44 -1.631 5.183 -0.338 1.00 34.33 H new ATOM 0 HD12 LEU A 44 -1.742 5.565 -2.072 1.00 34.33 H new ATOM 0 HD13 LEU A 44 -2.897 6.286 -0.926 1.00 34.33 H new ATOM 0 HD21 LEU A 44 -3.307 3.718 0.728 1.00 62.41 H new ATOM 0 HD22 LEU A 44 -4.639 4.763 0.181 1.00 62.41 H new ATOM 0 HD23 LEU A 44 -4.640 3.031 -0.229 1.00 62.41 H new ATOM 752 N ARG A 45 -6.898 3.838 -4.522 1.00 13.24 N ATOM 753 CA ARG A 45 -7.361 3.780 -5.902 1.00 53.03 C ATOM 754 C ARG A 45 -6.607 4.783 -6.772 1.00 21.04 C ATOM 755 O ARG A 45 -7.121 5.856 -7.090 1.00 3.23 O ATOM 756 CB ARG A 45 -8.864 4.059 -5.971 1.00 73.20 C ATOM 757 CG ARG A 45 -9.669 3.322 -4.913 1.00 62.21 C ATOM 758 CD ARG A 45 -11.162 3.539 -5.100 1.00 34.55 C ATOM 759 NE ARG A 45 -11.756 2.534 -5.978 1.00 62.32 N ATOM 760 CZ ARG A 45 -12.921 2.693 -6.596 1.00 15.43 C ATOM 761 NH1 ARG A 45 -13.614 3.813 -6.433 1.00 20.24 N ATOM 762 NH2 ARG A 45 -13.395 1.734 -7.380 1.00 22.12 N ATOM 0 H ARG A 45 -7.553 4.279 -3.876 1.00 13.24 H new ATOM 0 HA ARG A 45 -7.166 2.777 -6.281 1.00 53.03 H new ATOM 0 HB2 ARG A 45 -9.032 5.131 -5.862 1.00 73.20 H new ATOM 0 HB3 ARG A 45 -9.232 3.777 -6.957 1.00 73.20 H new ATOM 0 HG2 ARG A 45 -9.446 2.256 -4.961 1.00 62.21 H new ATOM 0 HG3 ARG A 45 -9.371 3.666 -3.922 1.00 62.21 H new ATOM 0 HD2 ARG A 45 -11.657 3.510 -4.129 1.00 34.55 H new ATOM 0 HD3 ARG A 45 -11.335 4.531 -5.516 1.00 34.55 H new ATOM 0 HE ARG A 45 -11.248 1.662 -6.125 1.00 62.32 H new ATOM 0 HH11 ARG A 45 -13.252 4.554 -5.832 1.00 20.24 H new ATOM 0 HH12 ARG A 45 -14.508 3.933 -6.908 1.00 20.24 H new ATOM 0 HH21 ARG A 45 -12.865 0.872 -7.509 1.00 22.12 H new ATOM 0 HH22 ARG A 45 -14.290 1.858 -7.854 1.00 22.12 H new ATOM 776 N THR A 46 -5.385 4.426 -7.152 1.00 42.10 N ATOM 777 CA THR A 46 -4.559 5.294 -7.982 1.00 24.31 C ATOM 778 C THR A 46 -3.416 4.515 -8.626 1.00 32.03 C ATOM 779 O THR A 46 -3.061 3.426 -8.173 1.00 20.42 O ATOM 780 CB THR A 46 -3.972 6.461 -7.165 1.00 73.31 C ATOM 781 OG1 THR A 46 -3.404 7.437 -8.045 1.00 74.15 O ATOM 782 CG2 THR A 46 -2.910 5.964 -6.197 1.00 70.12 C ATOM 0 H THR A 46 -4.945 3.541 -6.898 1.00 42.10 H new ATOM 0 HA THR A 46 -5.207 5.695 -8.761 1.00 24.31 H new ATOM 0 HB THR A 46 -4.779 6.916 -6.591 1.00 73.31 H new ATOM 0 HG1 THR A 46 -2.992 8.153 -7.517 1.00 74.15 H new ATOM 0 HG21 THR A 46 -2.510 6.806 -5.632 1.00 70.12 H new ATOM 0 HG22 THR A 46 -3.353 5.243 -5.510 1.00 70.12 H new ATOM 0 HG23 THR A 46 -2.104 5.486 -6.755 1.00 70.12 H new ATOM 790 N THR A 47 -2.843 5.079 -9.684 1.00 12.14 N ATOM 791 CA THR A 47 -1.741 4.438 -10.389 1.00 74.15 C ATOM 792 C THR A 47 -0.422 4.649 -9.657 1.00 0.25 C ATOM 793 O THR A 47 -0.283 5.581 -8.864 1.00 22.14 O ATOM 794 CB THR A 47 -1.608 4.974 -11.827 1.00 70.51 C ATOM 795 OG1 THR A 47 -2.889 5.382 -12.319 1.00 61.40 O ATOM 796 CG2 THR A 47 -1.020 3.914 -12.747 1.00 72.21 C ATOM 0 H THR A 47 -3.124 5.979 -10.072 1.00 12.14 H new ATOM 0 HA THR A 47 -1.966 3.372 -10.425 1.00 74.15 H new ATOM 0 HB THR A 47 -0.936 5.832 -11.810 1.00 70.51 H new ATOM 0 HG1 THR A 47 -2.795 5.723 -13.233 1.00 61.40 H new ATOM 0 HG21 THR A 47 -0.935 4.315 -13.757 1.00 72.21 H new ATOM 0 HG22 THR A 47 -0.032 3.627 -12.387 1.00 72.21 H new ATOM 0 HG23 THR A 47 -1.671 3.040 -12.757 1.00 72.21 H new ATOM 804 N PHE A 48 0.546 3.779 -9.926 1.00 30.41 N ATOM 805 CA PHE A 48 1.855 3.870 -9.291 1.00 34.51 C ATOM 806 C PHE A 48 2.506 5.219 -9.577 1.00 54.32 C ATOM 807 O PHE A 48 3.212 5.771 -8.734 1.00 45.33 O ATOM 808 CB PHE A 48 2.763 2.740 -9.781 1.00 32.22 C ATOM 809 CG PHE A 48 3.814 2.341 -8.785 1.00 65.33 C ATOM 810 CD1 PHE A 48 3.456 1.851 -7.539 1.00 44.11 C ATOM 811 CD2 PHE A 48 5.159 2.455 -9.095 1.00 62.44 C ATOM 812 CE1 PHE A 48 4.422 1.484 -6.621 1.00 72.40 C ATOM 813 CE2 PHE A 48 6.129 2.089 -8.181 1.00 44.11 C ATOM 814 CZ PHE A 48 5.760 1.602 -6.942 1.00 61.11 C ATOM 0 H PHE A 48 0.448 3.002 -10.580 1.00 30.41 H new ATOM 0 HA PHE A 48 1.715 3.774 -8.214 1.00 34.51 H new ATOM 0 HB2 PHE A 48 2.151 1.870 -10.019 1.00 32.22 H new ATOM 0 HB3 PHE A 48 3.249 3.051 -10.706 1.00 32.22 H new ATOM 0 HD1 PHE A 48 2.411 1.755 -7.283 1.00 44.11 H new ATOM 0 HD2 PHE A 48 5.453 2.834 -10.062 1.00 62.44 H new ATOM 0 HE1 PHE A 48 4.130 1.105 -5.653 1.00 72.40 H new ATOM 0 HE2 PHE A 48 7.174 2.184 -8.435 1.00 44.11 H new ATOM 0 HZ PHE A 48 6.516 1.314 -6.226 1.00 61.11 H new ATOM 824 N ALA A 49 2.260 5.747 -10.772 1.00 70.31 N ATOM 825 CA ALA A 49 2.821 7.033 -11.170 1.00 33.52 C ATOM 826 C ALA A 49 2.315 8.154 -10.268 1.00 61.43 C ATOM 827 O ALA A 49 3.098 8.951 -9.756 1.00 13.51 O ATOM 828 CB ALA A 49 2.482 7.328 -12.624 1.00 1.25 C ATOM 0 H ALA A 49 1.676 5.304 -11.481 1.00 70.31 H new ATOM 0 HA ALA A 49 3.905 6.979 -11.065 1.00 33.52 H new ATOM 0 HB1 ALA A 49 2.907 8.291 -12.908 1.00 1.25 H new ATOM 0 HB2 ALA A 49 2.897 6.546 -13.260 1.00 1.25 H new ATOM 0 HB3 ALA A 49 1.399 7.359 -12.746 1.00 1.25 H new ATOM 834 N ASN A 50 1.000 8.209 -10.079 1.00 63.44 N ATOM 835 CA ASN A 50 0.390 9.233 -9.241 1.00 32.31 C ATOM 836 C ASN A 50 0.923 9.156 -7.814 1.00 31.05 C ATOM 837 O ASN A 50 0.862 10.130 -7.063 1.00 33.34 O ATOM 838 CB ASN A 50 -1.132 9.079 -9.238 1.00 11.35 C ATOM 839 CG ASN A 50 -1.745 9.370 -10.594 1.00 31.13 C ATOM 840 OD1 ASN A 50 -1.897 10.527 -10.984 1.00 41.43 O ATOM 841 ND2 ASN A 50 -2.102 8.316 -11.319 1.00 12.41 N ATOM 0 H ASN A 50 0.337 7.555 -10.496 1.00 63.44 H new ATOM 0 HA ASN A 50 0.649 10.208 -9.655 1.00 32.31 H new ATOM 0 HB2 ASN A 50 -1.391 8.064 -8.935 1.00 11.35 H new ATOM 0 HB3 ASN A 50 -1.561 9.752 -8.496 1.00 11.35 H new ATOM 0 HD21 ASN A 50 -2.521 8.448 -12.239 1.00 12.41 H new ATOM 0 HD22 ASN A 50 -1.957 7.374 -10.955 1.00 12.41 H new ATOM 848 N VAL A 51 1.447 7.992 -7.446 1.00 23.33 N ATOM 849 CA VAL A 51 1.994 7.787 -6.109 1.00 72.44 C ATOM 850 C VAL A 51 3.445 8.244 -6.033 1.00 43.11 C ATOM 851 O VAL A 51 3.796 9.102 -5.223 1.00 14.12 O ATOM 852 CB VAL A 51 1.911 6.307 -5.690 1.00 32.34 C ATOM 853 CG1 VAL A 51 2.909 6.010 -4.582 1.00 30.43 C ATOM 854 CG2 VAL A 51 0.497 5.956 -5.252 1.00 34.21 C ATOM 0 H VAL A 51 1.505 7.176 -8.055 1.00 23.33 H new ATOM 0 HA VAL A 51 1.392 8.385 -5.425 1.00 72.44 H new ATOM 0 HB VAL A 51 2.164 5.689 -6.551 1.00 32.34 H new ATOM 0 HG11 VAL A 51 2.836 4.960 -4.299 1.00 30.43 H new ATOM 0 HG12 VAL A 51 3.918 6.222 -4.935 1.00 30.43 H new ATOM 0 HG13 VAL A 51 2.689 6.635 -3.717 1.00 30.43 H new ATOM 0 HG21 VAL A 51 0.457 4.907 -4.959 1.00 34.21 H new ATOM 0 HG22 VAL A 51 0.213 6.580 -4.405 1.00 34.21 H new ATOM 0 HG23 VAL A 51 -0.193 6.129 -6.078 1.00 34.21 H new ATOM 864 N VAL A 52 4.289 7.665 -6.882 1.00 55.15 N ATOM 865 CA VAL A 52 5.704 8.015 -6.913 1.00 71.12 C ATOM 866 C VAL A 52 5.895 9.522 -7.043 1.00 31.42 C ATOM 867 O VAL A 52 6.857 10.083 -6.520 1.00 14.12 O ATOM 868 CB VAL A 52 6.430 7.314 -8.077 1.00 54.33 C ATOM 869 CG1 VAL A 52 7.918 7.623 -8.041 1.00 23.12 C ATOM 870 CG2 VAL A 52 6.187 5.814 -8.029 1.00 34.44 C ATOM 0 H VAL A 52 4.017 6.951 -7.558 1.00 55.15 H new ATOM 0 HA VAL A 52 6.134 7.677 -5.970 1.00 71.12 H new ATOM 0 HB VAL A 52 6.027 7.694 -9.016 1.00 54.33 H new ATOM 0 HG11 VAL A 52 8.414 7.119 -8.871 1.00 23.12 H new ATOM 0 HG12 VAL A 52 8.068 8.699 -8.128 1.00 23.12 H new ATOM 0 HG13 VAL A 52 8.340 7.272 -7.099 1.00 23.12 H new ATOM 0 HG21 VAL A 52 6.707 5.334 -8.858 1.00 34.44 H new ATOM 0 HG22 VAL A 52 6.561 5.415 -7.086 1.00 34.44 H new ATOM 0 HG23 VAL A 52 5.118 5.616 -8.108 1.00 34.44 H new ATOM 880 N ASN A 53 4.972 10.172 -7.745 1.00 52.21 N ATOM 881 CA ASN A 53 5.038 11.615 -7.944 1.00 64.43 C ATOM 882 C ASN A 53 4.927 12.354 -6.614 1.00 35.23 C ATOM 883 O ASN A 53 5.444 13.460 -6.460 1.00 42.21 O ATOM 884 CB ASN A 53 3.926 12.073 -8.889 1.00 24.13 C ATOM 885 CG ASN A 53 3.945 13.571 -9.123 1.00 65.21 C ATOM 886 OD1 ASN A 53 4.692 14.068 -9.966 1.00 43.25 O ATOM 887 ND2 ASN A 53 3.123 14.297 -8.376 1.00 54.41 N ATOM 0 H ASN A 53 4.170 9.722 -8.185 1.00 52.21 H new ATOM 0 HA ASN A 53 6.004 11.850 -8.390 1.00 64.43 H new ATOM 0 HB2 ASN A 53 4.030 11.558 -9.844 1.00 24.13 H new ATOM 0 HB3 ASN A 53 2.960 11.785 -8.475 1.00 24.13 H new ATOM 0 HD21 ASN A 53 3.093 15.310 -8.488 1.00 54.41 H new ATOM 0 HD22 ASN A 53 2.522 13.842 -7.689 1.00 54.41 H new ATOM 894 N VAL A 54 4.248 11.733 -5.654 1.00 53.11 N ATOM 895 CA VAL A 54 4.069 12.331 -4.336 1.00 25.52 C ATOM 896 C VAL A 54 5.381 12.351 -3.560 1.00 11.15 C ATOM 897 O VAL A 54 5.629 13.255 -2.761 1.00 34.12 O ATOM 898 CB VAL A 54 3.011 11.570 -3.514 1.00 43.12 C ATOM 899 CG1 VAL A 54 3.160 11.883 -2.033 1.00 21.44 C ATOM 900 CG2 VAL A 54 1.612 11.911 -4.002 1.00 34.34 C ATOM 0 H VAL A 54 3.813 10.817 -5.764 1.00 53.11 H new ATOM 0 HA VAL A 54 3.728 13.354 -4.495 1.00 25.52 H new ATOM 0 HB VAL A 54 3.168 10.500 -3.652 1.00 43.12 H new ATOM 0 HG11 VAL A 54 2.405 11.337 -1.468 1.00 21.44 H new ATOM 0 HG12 VAL A 54 4.152 11.584 -1.696 1.00 21.44 H new ATOM 0 HG13 VAL A 54 3.030 12.953 -1.872 1.00 21.44 H new ATOM 0 HG21 VAL A 54 0.877 11.365 -3.411 1.00 34.34 H new ATOM 0 HG22 VAL A 54 1.440 12.982 -3.895 1.00 34.34 H new ATOM 0 HG23 VAL A 54 1.514 11.631 -5.051 1.00 34.34 H new ATOM 910 N CYS A 55 6.220 11.350 -3.801 1.00 3.51 N ATOM 911 CA CYS A 55 7.509 11.252 -3.125 1.00 51.00 C ATOM 912 C CYS A 55 8.439 12.380 -3.563 1.00 65.13 C ATOM 913 O CYS A 55 9.523 12.557 -3.007 1.00 1.15 O ATOM 914 CB CYS A 55 8.159 9.898 -3.415 1.00 1.51 C ATOM 915 SG CYS A 55 7.156 8.467 -2.902 1.00 75.20 S ATOM 0 H CYS A 55 6.031 10.594 -4.460 1.00 3.51 H new ATOM 0 HA CYS A 55 7.337 11.342 -2.052 1.00 51.00 H new ATOM 0 HB2 CYS A 55 8.358 9.824 -4.484 1.00 1.51 H new ATOM 0 HB3 CYS A 55 9.123 9.853 -2.908 1.00 1.51 H new ATOM 920 N GLY A 56 8.009 13.140 -4.565 1.00 10.30 N ATOM 921 CA GLY A 56 8.815 14.241 -5.061 1.00 21.33 C ATOM 922 C GLY A 56 8.580 15.524 -4.291 1.00 13.51 C ATOM 923 O GLY A 56 9.385 16.452 -4.356 1.00 61.42 O ATOM 0 H GLY A 56 7.117 13.013 -5.043 1.00 10.30 H new ATOM 0 HA2 GLY A 56 9.869 13.972 -4.999 1.00 21.33 H new ATOM 0 HA3 GLY A 56 8.589 14.407 -6.114 1.00 21.33 H new ATOM 927 N ASN A 57 7.471 15.579 -3.558 1.00 44.55 N ATOM 928 CA ASN A 57 7.131 16.761 -2.774 1.00 71.20 C ATOM 929 C ASN A 57 7.897 16.776 -1.454 1.00 74.24 C ATOM 930 O ASN A 57 8.461 15.764 -1.042 1.00 42.20 O ATOM 931 CB ASN A 57 5.626 16.802 -2.503 1.00 54.34 C ATOM 932 CG ASN A 57 5.185 15.738 -1.517 1.00 23.01 C ATOM 933 OD1 ASN A 57 5.978 15.264 -0.703 1.00 42.22 O ATOM 934 ND2 ASN A 57 3.915 15.356 -1.587 1.00 45.32 N ATOM 0 H ASN A 57 6.794 14.819 -3.491 1.00 44.55 H new ATOM 0 HA ASN A 57 7.415 17.643 -3.349 1.00 71.20 H new ATOM 0 HB2 ASN A 57 5.356 17.785 -2.117 1.00 54.34 H new ATOM 0 HB3 ASN A 57 5.087 16.669 -3.441 1.00 54.34 H new ATOM 0 HD21 ASN A 57 3.561 14.642 -0.950 1.00 45.32 H new ATOM 0 HD22 ASN A 57 3.293 15.776 -2.278 1.00 45.32 H new ATOM 941 N GLN A 58 7.910 17.932 -0.798 1.00 5.41 N ATOM 942 CA GLN A 58 8.607 18.079 0.475 1.00 65.25 C ATOM 943 C GLN A 58 8.284 16.918 1.409 1.00 25.50 C ATOM 944 O GLN A 58 7.176 16.822 1.936 1.00 63.21 O ATOM 945 CB GLN A 58 8.227 19.404 1.138 1.00 24.32 C ATOM 946 CG GLN A 58 9.051 19.723 2.375 1.00 2.33 C ATOM 947 CD GLN A 58 10.544 19.670 2.113 1.00 75.44 C ATOM 948 OE1 GLN A 58 11.078 20.465 1.339 1.00 53.04 O ATOM 949 NE2 GLN A 58 11.225 18.729 2.756 1.00 10.23 N ATOM 0 H GLN A 58 7.447 18.779 -1.126 1.00 5.41 H new ATOM 0 HA GLN A 58 9.679 18.074 0.277 1.00 65.25 H new ATOM 0 HB2 GLN A 58 8.346 20.210 0.414 1.00 24.32 H new ATOM 0 HB3 GLN A 58 7.172 19.375 1.412 1.00 24.32 H new ATOM 0 HG2 GLN A 58 8.785 20.716 2.738 1.00 2.33 H new ATOM 0 HG3 GLN A 58 8.800 19.017 3.166 1.00 2.33 H new ATOM 0 HE21 GLN A 58 10.741 18.091 3.388 1.00 10.23 H new ATOM 0 HE22 GLN A 58 12.232 18.644 2.618 1.00 10.23 H new ATOM 958 N SER A 59 9.259 16.037 1.610 1.00 41.02 N ATOM 959 CA SER A 59 9.077 14.879 2.478 1.00 50.44 C ATOM 960 C SER A 59 8.914 15.311 3.932 1.00 25.43 C ATOM 961 O SER A 59 9.361 16.389 4.325 1.00 43.02 O ATOM 962 CB SER A 59 10.267 13.926 2.347 1.00 63.22 C ATOM 963 OG SER A 59 11.454 14.631 2.028 1.00 15.44 O ATOM 0 H SER A 59 10.183 16.103 1.184 1.00 41.02 H new ATOM 0 HA SER A 59 8.170 14.361 2.167 1.00 50.44 H new ATOM 0 HB2 SER A 59 10.404 13.381 3.281 1.00 63.22 H new ATOM 0 HB3 SER A 59 10.061 13.186 1.573 1.00 63.22 H new ATOM 0 HG SER A 59 11.556 14.676 1.054 1.00 15.44 H new ATOM 969 N ILE A 60 8.270 14.462 4.726 1.00 64.24 N ATOM 970 CA ILE A 60 8.049 14.754 6.136 1.00 61.42 C ATOM 971 C ILE A 60 8.383 13.547 7.006 1.00 4.44 C ATOM 972 O ILE A 60 8.813 12.507 6.506 1.00 51.44 O ATOM 973 CB ILE A 60 6.591 15.175 6.401 1.00 50.41 C ATOM 974 CG1 ILE A 60 5.627 14.269 5.633 1.00 0.21 C ATOM 975 CG2 ILE A 60 6.382 16.631 6.011 1.00 52.54 C ATOM 976 CD1 ILE A 60 4.170 14.601 5.868 1.00 62.32 C ATOM 0 H ILE A 60 7.892 13.567 4.416 1.00 64.24 H new ATOM 0 HA ILE A 60 8.711 15.580 6.395 1.00 61.42 H new ATOM 0 HB ILE A 60 6.386 15.071 7.466 1.00 50.41 H new ATOM 0 HG12 ILE A 60 5.841 14.345 4.567 1.00 0.21 H new ATOM 0 HG13 ILE A 60 5.807 13.233 5.922 1.00 0.21 H new ATOM 0 HG21 ILE A 60 5.347 16.914 6.204 1.00 52.54 H new ATOM 0 HG22 ILE A 60 7.047 17.264 6.598 1.00 52.54 H new ATOM 0 HG23 ILE A 60 6.602 16.759 4.951 1.00 52.54 H new ATOM 0 HD11 ILE A 60 3.544 13.919 5.292 1.00 62.32 H new ATOM 0 HD12 ILE A 60 3.940 14.498 6.928 1.00 62.32 H new ATOM 0 HD13 ILE A 60 3.975 15.626 5.553 1.00 62.32 H new ATOM 988 N ARG A 61 8.182 13.692 8.312 1.00 13.31 N ATOM 989 CA ARG A 61 8.461 12.614 9.253 1.00 1.32 C ATOM 990 C ARG A 61 7.210 11.782 9.514 1.00 31.44 C ATOM 991 O ARG A 61 6.188 12.301 9.963 1.00 14.43 O ATOM 992 CB ARG A 61 8.992 13.183 10.571 1.00 73.23 C ATOM 993 CG ARG A 61 8.422 14.549 10.917 1.00 24.01 C ATOM 994 CD ARG A 61 9.284 15.670 10.359 1.00 43.44 C ATOM 995 NE ARG A 61 9.229 16.870 11.189 1.00 31.23 N ATOM 996 CZ ARG A 61 8.259 17.775 11.108 1.00 2.25 C ATOM 997 NH1 ARG A 61 7.271 17.617 10.240 1.00 61.23 N ATOM 998 NH2 ARG A 61 8.278 18.840 11.899 1.00 14.43 N ATOM 0 H ARG A 61 7.827 14.546 8.742 1.00 13.31 H new ATOM 0 HA ARG A 61 9.220 11.968 8.811 1.00 1.32 H new ATOM 0 HB2 ARG A 61 8.760 12.487 11.377 1.00 73.23 H new ATOM 0 HB3 ARG A 61 10.078 13.255 10.515 1.00 73.23 H new ATOM 0 HG2 ARG A 61 7.411 14.634 10.519 1.00 24.01 H new ATOM 0 HG3 ARG A 61 8.348 14.650 12.000 1.00 24.01 H new ATOM 0 HD2 ARG A 61 10.317 15.329 10.283 1.00 43.44 H new ATOM 0 HD3 ARG A 61 8.953 15.913 9.349 1.00 43.44 H new ATOM 0 HE ARG A 61 9.975 17.022 11.868 1.00 31.23 H new ATOM 0 HH11 ARG A 61 7.253 16.799 9.631 1.00 61.23 H new ATOM 0 HH12 ARG A 61 6.528 18.313 10.180 1.00 61.23 H new ATOM 0 HH21 ARG A 61 9.037 18.964 12.569 1.00 14.43 H new ATOM 0 HH22 ARG A 61 7.534 19.535 11.837 1.00 14.43 H new ATOM 1012 N CYS A 62 7.296 10.487 9.228 1.00 50.11 N ATOM 1013 CA CYS A 62 6.171 9.582 9.430 1.00 42.33 C ATOM 1014 C CYS A 62 5.808 9.487 10.909 1.00 20.50 C ATOM 1015 O CYS A 62 6.670 9.514 11.788 1.00 71.54 O ATOM 1016 CB CYS A 62 6.504 8.192 8.884 1.00 73.43 C ATOM 1017 SG CYS A 62 6.179 7.995 7.102 1.00 42.11 S ATOM 0 H CYS A 62 8.134 10.041 8.855 1.00 50.11 H new ATOM 0 HA CYS A 62 5.313 9.982 8.889 1.00 42.33 H new ATOM 0 HB2 CYS A 62 7.556 7.980 9.076 1.00 73.43 H new ATOM 0 HB3 CYS A 62 5.924 7.450 9.432 1.00 73.43 H new ATOM 1022 N PRO A 63 4.502 9.372 11.191 1.00 21.22 N ATOM 1023 CA PRO A 63 3.995 9.268 12.563 1.00 15.52 C ATOM 1024 C PRO A 63 4.353 7.939 13.216 1.00 25.31 C ATOM 1025 O PRO A 63 4.496 7.852 14.436 1.00 45.00 O ATOM 1026 CB PRO A 63 2.479 9.389 12.390 1.00 21.24 C ATOM 1027 CG PRO A 63 2.218 8.923 11.000 1.00 71.41 C ATOM 1028 CD PRO A 63 3.420 9.332 10.194 1.00 73.02 C ATOM 0 HA PRO A 63 4.426 10.028 13.215 1.00 15.52 H new ATOM 0 HB2 PRO A 63 1.947 8.777 13.119 1.00 21.24 H new ATOM 0 HB3 PRO A 63 2.145 10.417 12.532 1.00 21.24 H new ATOM 0 HG2 PRO A 63 2.078 7.842 10.970 1.00 71.41 H new ATOM 0 HG3 PRO A 63 1.309 9.374 10.601 1.00 71.41 H new ATOM 0 HD2 PRO A 63 3.633 8.617 9.399 1.00 73.02 H new ATOM 0 HD3 PRO A 63 3.274 10.303 9.720 1.00 73.02 H new ATOM 1036 N HIS A 64 4.499 6.902 12.396 1.00 73.01 N ATOM 1037 CA HIS A 64 4.843 5.575 12.894 1.00 73.25 C ATOM 1038 C HIS A 64 6.339 5.471 13.173 1.00 23.45 C ATOM 1039 O HIS A 64 6.777 4.619 13.946 1.00 61.42 O ATOM 1040 CB HIS A 64 4.423 4.505 11.886 1.00 65.24 C ATOM 1041 CG HIS A 64 4.127 3.177 12.511 1.00 72.31 C ATOM 1042 ND1 HIS A 64 3.076 2.972 13.381 1.00 60.55 N ATOM 1043 CD2 HIS A 64 4.749 1.981 12.387 1.00 12.12 C ATOM 1044 CE1 HIS A 64 3.066 1.709 13.766 1.00 22.41 C ATOM 1045 NE2 HIS A 64 4.071 1.085 13.177 1.00 50.04 N ATOM 0 H HIS A 64 4.384 6.956 11.384 1.00 73.01 H new ATOM 0 HA HIS A 64 4.306 5.413 13.828 1.00 73.25 H new ATOM 0 HB2 HIS A 64 3.539 4.850 11.350 1.00 65.24 H new ATOM 0 HB3 HIS A 64 5.216 4.381 11.148 1.00 65.24 H new ATOM 0 HD2 HIS A 64 5.617 1.771 11.780 1.00 12.12 H new ATOM 0 HE1 HIS A 64 2.357 1.262 14.447 1.00 22.41 H new ATOM 0 HE2 HIS A 64 4.305 0.099 13.291 1.00 50.04 H new ATOM 1054 N ASN A 65 7.117 6.341 12.538 1.00 72.20 N ATOM 1055 CA ASN A 65 8.564 6.345 12.718 1.00 24.02 C ATOM 1056 C ASN A 65 9.066 7.746 13.054 1.00 2.14 C ATOM 1057 O ASN A 65 9.442 8.511 12.166 1.00 13.02 O ATOM 1058 CB ASN A 65 9.256 5.832 11.454 1.00 44.35 C ATOM 1059 CG ASN A 65 8.509 4.681 10.811 1.00 70.53 C ATOM 1060 OD1 ASN A 65 8.107 3.732 11.486 1.00 5.51 O ATOM 1061 ND2 ASN A 65 8.317 4.758 9.499 1.00 45.44 N ATOM 0 H ASN A 65 6.770 7.052 11.894 1.00 72.20 H new ATOM 0 HA ASN A 65 8.805 5.683 13.550 1.00 24.02 H new ATOM 0 HB2 ASN A 65 9.347 6.648 10.737 1.00 44.35 H new ATOM 0 HB3 ASN A 65 10.268 5.511 11.702 1.00 44.35 H new ATOM 0 HD21 ASN A 65 7.819 4.013 9.012 1.00 45.44 H new ATOM 0 HD22 ASN A 65 8.667 5.562 8.979 1.00 45.44 H new ATOM 1068 N ARG A 66 9.071 8.073 14.343 1.00 74.45 N ATOM 1069 CA ARG A 66 9.526 9.381 14.796 1.00 3.52 C ATOM 1070 C ARG A 66 11.039 9.514 14.644 1.00 21.43 C ATOM 1071 O ARG A 66 11.621 10.546 14.977 1.00 14.32 O ATOM 1072 CB ARG A 66 9.128 9.606 16.256 1.00 55.31 C ATOM 1073 CG ARG A 66 10.017 8.876 17.249 1.00 12.34 C ATOM 1074 CD ARG A 66 9.414 8.881 18.645 1.00 23.23 C ATOM 1075 NE ARG A 66 10.183 8.059 19.576 1.00 41.21 N ATOM 1076 CZ ARG A 66 10.153 6.731 19.582 1.00 11.20 C ATOM 1077 NH1 ARG A 66 9.396 6.079 18.711 1.00 24.34 N ATOM 1078 NH2 ARG A 66 10.881 6.054 20.461 1.00 72.44 N ATOM 0 H ARG A 66 8.765 7.450 15.091 1.00 74.45 H new ATOM 0 HA ARG A 66 9.048 10.139 14.175 1.00 3.52 H new ATOM 0 HB2 ARG A 66 9.158 10.674 16.471 1.00 55.31 H new ATOM 0 HB3 ARG A 66 8.097 9.281 16.397 1.00 55.31 H new ATOM 0 HG2 ARG A 66 10.165 7.848 16.919 1.00 12.34 H new ATOM 0 HG3 ARG A 66 11.000 9.347 17.274 1.00 12.34 H new ATOM 0 HD2 ARG A 66 9.369 9.905 19.017 1.00 23.23 H new ATOM 0 HD3 ARG A 66 8.389 8.514 18.598 1.00 23.23 H new ATOM 0 HE ARG A 66 10.776 8.531 20.259 1.00 41.21 H new ATOM 0 HH11 ARG A 66 8.835 6.597 18.035 1.00 24.34 H new ATOM 0 HH12 ARG A 66 9.374 5.059 18.717 1.00 24.34 H new ATOM 0 HH21 ARG A 66 11.464 6.553 21.133 1.00 72.44 H new ATOM 0 HH22 ARG A 66 10.857 5.034 20.465 1.00 72.44 H new ATOM 1092 N THR A 67 11.672 8.459 14.140 1.00 23.35 N ATOM 1093 CA THR A 67 13.117 8.455 13.946 1.00 55.10 C ATOM 1094 C THR A 67 13.475 8.219 12.483 1.00 32.14 C ATOM 1095 O THR A 67 14.629 7.942 12.152 1.00 15.51 O ATOM 1096 CB THR A 67 13.797 7.376 14.810 1.00 22.15 C ATOM 1097 OG1 THR A 67 15.210 7.379 14.575 1.00 0.15 O ATOM 1098 CG2 THR A 67 13.230 5.999 14.501 1.00 13.04 C ATOM 0 H THR A 67 11.206 7.596 13.859 1.00 23.35 H new ATOM 0 HA THR A 67 13.479 9.436 14.252 1.00 55.10 H new ATOM 0 HB THR A 67 13.603 7.605 15.858 1.00 22.15 H new ATOM 0 HG1 THR A 67 15.384 7.567 13.629 1.00 0.15 H new ATOM 0 HG21 THR A 67 13.725 5.254 15.123 1.00 13.04 H new ATOM 0 HG22 THR A 67 12.160 5.991 14.708 1.00 13.04 H new ATOM 0 HG23 THR A 67 13.398 5.764 13.450 1.00 13.04 H new ATOM 1106 N LEU A 68 12.479 8.330 11.611 1.00 45.11 N ATOM 1107 CA LEU A 68 12.690 8.129 10.181 1.00 52.22 C ATOM 1108 C LEU A 68 11.915 9.160 9.366 1.00 25.42 C ATOM 1109 O LEU A 68 10.709 9.326 9.544 1.00 11.32 O ATOM 1110 CB LEU A 68 12.263 6.717 9.776 1.00 70.22 C ATOM 1111 CG LEU A 68 12.001 6.496 8.286 1.00 64.21 C ATOM 1112 CD1 LEU A 68 13.278 6.699 7.484 1.00 24.42 C ATOM 1113 CD2 LEU A 68 11.434 5.105 8.045 1.00 35.22 C ATOM 0 H LEU A 68 11.519 8.558 11.868 1.00 45.11 H new ATOM 0 HA LEU A 68 13.753 8.254 9.975 1.00 52.22 H new ATOM 0 HB2 LEU A 68 13.037 6.019 10.096 1.00 70.22 H new ATOM 0 HB3 LEU A 68 11.357 6.461 10.325 1.00 70.22 H new ATOM 0 HG LEU A 68 11.266 7.229 7.953 1.00 64.21 H new ATOM 0 HD11 LEU A 68 13.073 6.538 6.426 1.00 24.42 H new ATOM 0 HD12 LEU A 68 13.643 7.715 7.632 1.00 24.42 H new ATOM 0 HD13 LEU A 68 14.035 5.990 7.819 1.00 24.42 H new ATOM 0 HD21 LEU A 68 11.254 4.965 6.979 1.00 35.22 H new ATOM 0 HD22 LEU A 68 12.146 4.357 8.394 1.00 35.22 H new ATOM 0 HD23 LEU A 68 10.496 4.995 8.589 1.00 35.22 H new ATOM 1125 N ASN A 69 12.616 9.848 8.471 1.00 22.43 N ATOM 1126 CA ASN A 69 11.993 10.861 7.627 1.00 3.54 C ATOM 1127 C ASN A 69 12.316 10.618 6.157 1.00 64.32 C ATOM 1128 O ASN A 69 13.043 11.390 5.534 1.00 11.23 O ATOM 1129 CB ASN A 69 12.464 12.258 8.040 1.00 0.05 C ATOM 1130 CG ASN A 69 12.149 12.569 9.490 1.00 15.13 C ATOM 1131 OD1 ASN A 69 11.640 11.720 10.223 1.00 45.30 O ATOM 1132 ND2 ASN A 69 12.448 13.793 9.911 1.00 23.01 N ATOM 0 H ASN A 69 13.616 9.723 8.311 1.00 22.43 H new ATOM 0 HA ASN A 69 10.913 10.794 7.759 1.00 3.54 H new ATOM 0 HB2 ASN A 69 13.539 12.338 7.879 1.00 0.05 H new ATOM 0 HB3 ASN A 69 11.990 13.002 7.400 1.00 0.05 H new ATOM 0 HD21 ASN A 69 12.257 14.061 10.876 1.00 23.01 H new ATOM 0 HD22 ASN A 69 12.869 14.465 9.269 1.00 23.01 H new ATOM 1139 N ASN A 70 11.769 9.538 5.608 1.00 21.32 N ATOM 1140 CA ASN A 70 11.998 9.192 4.210 1.00 64.31 C ATOM 1141 C ASN A 70 10.677 8.961 3.483 1.00 71.01 C ATOM 1142 O ASN A 70 10.634 8.297 2.447 1.00 32.34 O ATOM 1143 CB ASN A 70 12.874 7.941 4.109 1.00 43.14 C ATOM 1144 CG ASN A 70 14.352 8.259 4.233 1.00 62.20 C ATOM 1145 OD1 ASN A 70 14.880 8.389 5.338 1.00 50.15 O ATOM 1146 ND2 ASN A 70 15.027 8.385 3.096 1.00 62.21 N ATOM 0 H ASN A 70 11.164 8.888 6.110 1.00 21.32 H new ATOM 0 HA ASN A 70 12.513 10.027 3.735 1.00 64.31 H new ATOM 0 HB2 ASN A 70 12.590 7.237 4.891 1.00 43.14 H new ATOM 0 HB3 ASN A 70 12.690 7.448 3.155 1.00 43.14 H new ATOM 0 HD21 ASN A 70 16.024 8.598 3.116 1.00 62.21 H new ATOM 0 HD22 ASN A 70 14.548 8.269 2.203 1.00 62.21 H new ATOM 1153 N CYS A 71 9.602 9.514 4.032 1.00 54.34 N ATOM 1154 CA CYS A 71 8.278 9.371 3.437 1.00 25.43 C ATOM 1155 C CYS A 71 7.691 10.732 3.078 1.00 50.33 C ATOM 1156 O CYS A 71 8.254 11.772 3.421 1.00 53.32 O ATOM 1157 CB CYS A 71 7.341 8.636 4.399 1.00 53.22 C ATOM 1158 SG CYS A 71 7.420 9.237 6.117 1.00 73.21 S ATOM 0 H CYS A 71 9.621 10.066 4.889 1.00 54.34 H new ATOM 0 HA CYS A 71 8.380 8.788 2.522 1.00 25.43 H new ATOM 0 HB2 CYS A 71 6.317 8.734 4.038 1.00 53.22 H new ATOM 0 HB3 CYS A 71 7.584 7.574 4.385 1.00 53.22 H new ATOM 1163 N HIS A 72 6.556 10.718 2.386 1.00 4.41 N ATOM 1164 CA HIS A 72 5.892 11.952 1.982 1.00 63.22 C ATOM 1165 C HIS A 72 4.376 11.790 2.021 1.00 53.24 C ATOM 1166 O HIS A 72 3.848 10.719 1.723 1.00 25.05 O ATOM 1167 CB HIS A 72 6.337 12.358 0.576 1.00 11.43 C ATOM 1168 CG HIS A 72 7.734 11.930 0.243 1.00 72.23 C ATOM 1169 ND1 HIS A 72 8.356 10.738 0.400 1.00 12.12 N flip ATOM 1170 CD2 HIS A 72 8.665 12.774 -0.324 1.00 32.14 C flip ATOM 1171 CE1 HIS A 72 9.637 10.882 -0.070 1.00 52.45 C flip ATOM 1172 NE2 HIS A 72 9.798 12.120 -0.501 1.00 52.25 N flip ATOM 0 H HIS A 72 6.077 9.866 2.094 1.00 4.41 H new ATOM 0 HA HIS A 72 6.175 12.735 2.685 1.00 63.22 H new ATOM 0 HB2 HIS A 72 5.650 11.927 -0.152 1.00 11.43 H new ATOM 0 HB3 HIS A 72 6.265 13.441 0.480 1.00 11.43 H new ATOM 0 HD2 HIS A 72 8.494 13.808 -0.583 1.00 32.14 H new ATOM 0 HE1 HIS A 72 10.391 10.109 -0.085 1.00 52.45 H new ATOM 0 HE2 HIS A 72 10.653 12.505 -0.903 1.00 52.25 H new ATOM 1181 N ARG A 73 3.681 12.862 2.391 1.00 42.35 N ATOM 1182 CA ARG A 73 2.226 12.839 2.470 1.00 34.44 C ATOM 1183 C ARG A 73 1.602 13.460 1.224 1.00 51.30 C ATOM 1184 O ARG A 73 2.032 14.518 0.766 1.00 42.24 O ATOM 1185 CB ARG A 73 1.751 13.584 3.719 1.00 53.41 C ATOM 1186 CG ARG A 73 0.259 13.449 3.978 1.00 12.31 C ATOM 1187 CD ARG A 73 -0.289 14.657 4.721 1.00 52.42 C ATOM 1188 NE ARG A 73 -0.053 15.901 3.993 1.00 44.12 N ATOM 1189 CZ ARG A 73 -0.656 17.048 4.282 1.00 50.41 C ATOM 1190 NH1 ARG A 73 -1.528 17.110 5.279 1.00 23.23 N ATOM 1191 NH2 ARG A 73 -0.388 18.139 3.574 1.00 63.21 N ATOM 0 H ARG A 73 4.103 13.757 2.640 1.00 42.35 H new ATOM 0 HA ARG A 73 1.907 11.799 2.532 1.00 34.44 H new ATOM 0 HB2 ARG A 73 2.297 13.209 4.585 1.00 53.41 H new ATOM 0 HB3 ARG A 73 2.000 14.640 3.618 1.00 53.41 H new ATOM 0 HG2 ARG A 73 -0.267 13.334 3.030 1.00 12.31 H new ATOM 0 HG3 ARG A 73 0.070 12.546 4.559 1.00 12.31 H new ATOM 0 HD2 ARG A 73 -1.359 14.529 4.882 1.00 52.42 H new ATOM 0 HD3 ARG A 73 0.176 14.719 5.705 1.00 52.42 H new ATOM 0 HE ARG A 73 0.612 15.888 3.220 1.00 44.12 H new ATOM 0 HH11 ARG A 73 -1.737 16.275 5.826 1.00 23.23 H new ATOM 0 HH12 ARG A 73 -1.990 17.993 5.499 1.00 23.23 H new ATOM 0 HH21 ARG A 73 0.282 18.097 2.806 1.00 63.21 H new ATOM 0 HH22 ARG A 73 -0.852 19.019 3.798 1.00 63.21 H new ATOM 1205 N SER A 74 0.588 12.796 0.682 1.00 34.04 N ATOM 1206 CA SER A 74 -0.092 13.281 -0.513 1.00 31.20 C ATOM 1207 C SER A 74 -0.811 14.597 -0.233 1.00 41.40 C ATOM 1208 O SER A 74 -1.599 14.699 0.708 1.00 52.01 O ATOM 1209 CB SER A 74 -1.092 12.238 -1.016 1.00 32.32 C ATOM 1210 OG SER A 74 -1.518 12.533 -2.336 1.00 4.52 O ATOM 0 H SER A 74 0.218 11.920 1.051 1.00 34.04 H new ATOM 0 HA SER A 74 0.660 13.454 -1.283 1.00 31.20 H new ATOM 0 HB2 SER A 74 -0.634 11.249 -0.991 1.00 32.32 H new ATOM 0 HB3 SER A 74 -1.955 12.207 -0.351 1.00 32.32 H new ATOM 0 HG SER A 74 -1.601 11.701 -2.847 1.00 4.52 H new ATOM 1216 N ARG A 75 -0.534 15.603 -1.057 1.00 4.03 N ATOM 1217 CA ARG A 75 -1.151 16.913 -0.897 1.00 52.52 C ATOM 1218 C ARG A 75 -2.612 16.883 -1.338 1.00 1.33 C ATOM 1219 O ARG A 75 -3.453 17.592 -0.784 1.00 2.30 O ATOM 1220 CB ARG A 75 -0.386 17.964 -1.706 1.00 24.34 C ATOM 1221 CG ARG A 75 -0.342 17.672 -3.197 1.00 21.43 C ATOM 1222 CD ARG A 75 0.921 18.226 -3.836 1.00 31.24 C ATOM 1223 NE ARG A 75 0.876 19.680 -3.968 1.00 34.44 N ATOM 1224 CZ ARG A 75 0.306 20.307 -4.991 1.00 22.24 C ATOM 1225 NH1 ARG A 75 -0.263 19.611 -5.966 1.00 43.42 N ATOM 1226 NH2 ARG A 75 0.305 21.633 -5.041 1.00 15.35 N ATOM 0 H ARG A 75 0.114 15.535 -1.842 1.00 4.03 H new ATOM 0 HA ARG A 75 -1.112 17.178 0.160 1.00 52.52 H new ATOM 0 HB2 ARG A 75 -0.848 18.938 -1.549 1.00 24.34 H new ATOM 0 HB3 ARG A 75 0.634 18.030 -1.327 1.00 24.34 H new ATOM 0 HG2 ARG A 75 -0.391 16.595 -3.360 1.00 21.43 H new ATOM 0 HG3 ARG A 75 -1.217 18.108 -3.680 1.00 21.43 H new ATOM 0 HD2 ARG A 75 1.785 17.943 -3.235 1.00 31.24 H new ATOM 0 HD3 ARG A 75 1.056 17.777 -4.820 1.00 31.24 H new ATOM 0 HE ARG A 75 1.306 20.244 -3.235 1.00 34.44 H new ATOM 0 HH11 ARG A 75 -0.264 18.592 -5.932 1.00 43.42 H new ATOM 0 HH12 ARG A 75 -0.700 20.095 -6.750 1.00 43.42 H new ATOM 0 HH21 ARG A 75 0.742 22.172 -4.293 1.00 15.35 H new ATOM 0 HH22 ARG A 75 -0.133 22.113 -5.827 1.00 15.35 H new ATOM 1240 N PHE A 76 -2.906 16.058 -2.337 1.00 43.24 N ATOM 1241 CA PHE A 76 -4.264 15.936 -2.853 1.00 32.00 C ATOM 1242 C PHE A 76 -4.977 14.738 -2.232 1.00 43.44 C ATOM 1243 O PHE A 76 -4.336 13.806 -1.745 1.00 14.54 O ATOM 1244 CB PHE A 76 -4.244 15.799 -4.376 1.00 61.43 C ATOM 1245 CG PHE A 76 -4.303 17.114 -5.099 1.00 51.23 C ATOM 1246 CD1 PHE A 76 -5.475 17.854 -5.122 1.00 65.15 C ATOM 1247 CD2 PHE A 76 -3.188 17.611 -5.754 1.00 23.30 C ATOM 1248 CE1 PHE A 76 -5.532 19.066 -5.785 1.00 71.45 C ATOM 1249 CE2 PHE A 76 -3.239 18.821 -6.419 1.00 34.52 C ATOM 1250 CZ PHE A 76 -4.414 19.549 -6.436 1.00 3.20 C ATOM 0 H PHE A 76 -2.222 15.464 -2.805 1.00 43.24 H new ATOM 0 HA PHE A 76 -4.810 16.840 -2.584 1.00 32.00 H new ATOM 0 HB2 PHE A 76 -3.338 15.271 -4.673 1.00 61.43 H new ATOM 0 HB3 PHE A 76 -5.088 15.184 -4.688 1.00 61.43 H new ATOM 0 HD1 PHE A 76 -6.353 17.480 -4.617 1.00 65.15 H new ATOM 0 HD2 PHE A 76 -2.268 17.046 -5.745 1.00 23.30 H new ATOM 0 HE1 PHE A 76 -6.450 19.635 -5.794 1.00 71.45 H new ATOM 0 HE2 PHE A 76 -2.362 19.198 -6.925 1.00 34.52 H new ATOM 0 HZ PHE A 76 -4.458 20.494 -6.957 1.00 3.20 H new ATOM 1260 N ARG A 77 -6.305 14.771 -2.254 1.00 30.32 N ATOM 1261 CA ARG A 77 -7.105 13.689 -1.692 1.00 21.11 C ATOM 1262 C ARG A 77 -7.569 12.731 -2.785 1.00 4.12 C ATOM 1263 O ARG A 77 -8.198 13.142 -3.760 1.00 11.45 O ATOM 1264 CB ARG A 77 -8.315 14.255 -0.947 1.00 51.05 C ATOM 1265 CG ARG A 77 -7.957 14.967 0.346 1.00 4.13 C ATOM 1266 CD ARG A 77 -9.190 15.243 1.192 1.00 73.43 C ATOM 1267 NE ARG A 77 -9.794 16.534 0.875 1.00 42.13 N ATOM 1268 CZ ARG A 77 -11.024 16.880 1.238 1.00 63.41 C ATOM 1269 NH1 ARG A 77 -11.777 16.034 1.927 1.00 62.51 N ATOM 1270 NH2 ARG A 77 -11.503 18.073 0.912 1.00 53.04 N ATOM 0 H ARG A 77 -6.850 15.535 -2.655 1.00 30.32 H new ATOM 0 HA ARG A 77 -6.481 13.136 -0.990 1.00 21.11 H new ATOM 0 HB2 ARG A 77 -8.841 14.951 -1.601 1.00 51.05 H new ATOM 0 HB3 ARG A 77 -9.006 13.442 -0.725 1.00 51.05 H new ATOM 0 HG2 ARG A 77 -7.254 14.359 0.914 1.00 4.13 H new ATOM 0 HG3 ARG A 77 -7.454 15.907 0.118 1.00 4.13 H new ATOM 0 HD2 ARG A 77 -9.923 14.452 1.034 1.00 73.43 H new ATOM 0 HD3 ARG A 77 -8.918 15.219 2.247 1.00 73.43 H new ATOM 0 HE ARG A 77 -9.241 17.208 0.345 1.00 42.13 H new ATOM 0 HH11 ARG A 77 -11.412 15.116 2.179 1.00 62.51 H new ATOM 0 HH12 ARG A 77 -12.721 16.302 2.205 1.00 62.51 H new ATOM 0 HH21 ARG A 77 -10.927 18.726 0.382 1.00 53.04 H new ATOM 0 HH22 ARG A 77 -12.448 18.337 1.192 1.00 53.04 H new ATOM 1284 N VAL A 78 -7.253 11.451 -2.616 1.00 41.13 N ATOM 1285 CA VAL A 78 -7.638 10.434 -3.588 1.00 60.45 C ATOM 1286 C VAL A 78 -8.439 9.318 -2.928 1.00 51.21 C ATOM 1287 O VAL A 78 -8.299 9.040 -1.737 1.00 14.44 O ATOM 1288 CB VAL A 78 -6.404 9.825 -4.280 1.00 70.31 C ATOM 1289 CG1 VAL A 78 -5.331 10.882 -4.488 1.00 24.31 C ATOM 1290 CG2 VAL A 78 -5.864 8.655 -3.472 1.00 5.34 C ATOM 0 H VAL A 78 -6.732 11.094 -1.815 1.00 41.13 H new ATOM 0 HA VAL A 78 -8.258 10.929 -4.335 1.00 60.45 H new ATOM 0 HB VAL A 78 -6.705 9.452 -5.259 1.00 70.31 H new ATOM 0 HG11 VAL A 78 -4.467 10.432 -4.978 1.00 24.31 H new ATOM 0 HG12 VAL A 78 -5.726 11.683 -5.112 1.00 24.31 H new ATOM 0 HG13 VAL A 78 -5.029 11.289 -3.523 1.00 24.31 H new ATOM 0 HG21 VAL A 78 -4.992 8.237 -3.975 1.00 5.34 H new ATOM 0 HG22 VAL A 78 -5.578 9.000 -2.478 1.00 5.34 H new ATOM 0 HG23 VAL A 78 -6.634 7.889 -3.382 1.00 5.34 H new ATOM 1300 N PRO A 79 -9.301 8.661 -3.718 1.00 51.20 N ATOM 1301 CA PRO A 79 -10.142 7.563 -3.232 1.00 12.40 C ATOM 1302 C PRO A 79 -9.333 6.313 -2.909 1.00 24.53 C ATOM 1303 O PRO A 79 -8.659 5.755 -3.776 1.00 44.30 O ATOM 1304 CB PRO A 79 -11.092 7.298 -4.403 1.00 41.13 C ATOM 1305 CG PRO A 79 -10.351 7.772 -5.606 1.00 3.34 C ATOM 1306 CD PRO A 79 -9.520 8.939 -5.147 1.00 72.24 C ATOM 0 HA PRO A 79 -10.651 7.820 -2.303 1.00 12.40 H new ATOM 0 HB2 PRO A 79 -11.338 6.239 -4.481 1.00 41.13 H new ATOM 0 HB3 PRO A 79 -12.032 7.836 -4.280 1.00 41.13 H new ATOM 0 HG2 PRO A 79 -9.722 6.981 -6.013 1.00 3.34 H new ATOM 0 HG3 PRO A 79 -11.040 8.070 -6.396 1.00 3.34 H new ATOM 0 HD2 PRO A 79 -8.579 9.001 -5.693 1.00 72.24 H new ATOM 0 HD3 PRO A 79 -10.039 9.886 -5.297 1.00 72.24 H new ATOM 1314 N LEU A 80 -9.404 5.875 -1.656 1.00 72.31 N ATOM 1315 CA LEU A 80 -8.679 4.687 -1.218 1.00 3.20 C ATOM 1316 C LEU A 80 -9.636 3.635 -0.669 1.00 13.13 C ATOM 1317 O LEU A 80 -10.836 3.881 -0.535 1.00 1.22 O ATOM 1318 CB LEU A 80 -7.647 5.060 -0.152 1.00 40.43 C ATOM 1319 CG LEU A 80 -8.193 5.755 1.096 1.00 20.40 C ATOM 1320 CD1 LEU A 80 -9.311 4.932 1.717 1.00 34.22 C ATOM 1321 CD2 LEU A 80 -7.078 5.991 2.105 1.00 31.12 C ATOM 0 H LEU A 80 -9.956 6.325 -0.926 1.00 72.31 H new ATOM 0 HA LEU A 80 -8.165 4.267 -2.082 1.00 3.20 H new ATOM 0 HB2 LEU A 80 -7.131 4.152 0.159 1.00 40.43 H new ATOM 0 HB3 LEU A 80 -6.901 5.710 -0.609 1.00 40.43 H new ATOM 0 HG LEU A 80 -8.601 6.722 0.802 1.00 20.40 H new ATOM 0 HD11 LEU A 80 -9.688 5.441 2.604 1.00 34.22 H new ATOM 0 HD12 LEU A 80 -10.119 4.813 0.996 1.00 34.22 H new ATOM 0 HD13 LEU A 80 -8.928 3.951 1.997 1.00 34.22 H new ATOM 0 HD21 LEU A 80 -7.484 6.486 2.987 1.00 31.12 H new ATOM 0 HD22 LEU A 80 -6.641 5.035 2.395 1.00 31.12 H new ATOM 0 HD23 LEU A 80 -6.309 6.621 1.657 1.00 31.12 H new ATOM 1333 N LEU A 81 -9.099 2.463 -0.351 1.00 63.03 N ATOM 1334 CA LEU A 81 -9.906 1.373 0.187 1.00 62.50 C ATOM 1335 C LEU A 81 -9.215 0.723 1.381 1.00 30.24 C ATOM 1336 O LEU A 81 -8.032 0.389 1.322 1.00 25.31 O ATOM 1337 CB LEU A 81 -10.169 0.325 -0.896 1.00 34.42 C ATOM 1338 CG LEU A 81 -11.478 -0.457 -0.769 1.00 62.12 C ATOM 1339 CD1 LEU A 81 -11.590 -1.089 0.609 1.00 73.20 C ATOM 1340 CD2 LEU A 81 -12.670 0.450 -1.042 1.00 4.43 C ATOM 0 H LEU A 81 -8.109 2.243 -0.456 1.00 63.03 H new ATOM 0 HA LEU A 81 -10.857 1.788 0.522 1.00 62.50 H new ATOM 0 HB2 LEU A 81 -10.159 0.823 -1.866 1.00 34.42 H new ATOM 0 HB3 LEU A 81 -9.343 -0.386 -0.894 1.00 34.42 H new ATOM 0 HG LEU A 81 -11.477 -1.254 -1.512 1.00 62.12 H new ATOM 0 HD11 LEU A 81 -12.527 -1.641 0.681 1.00 73.20 H new ATOM 0 HD12 LEU A 81 -10.754 -1.771 0.766 1.00 73.20 H new ATOM 0 HD13 LEU A 81 -11.569 -0.309 1.370 1.00 73.20 H new ATOM 0 HD21 LEU A 81 -13.592 -0.123 -0.947 1.00 4.43 H new ATOM 0 HD22 LEU A 81 -12.676 1.269 -0.323 1.00 4.43 H new ATOM 0 HD23 LEU A 81 -12.596 0.854 -2.052 1.00 4.43 H new ATOM 1352 N HIS A 82 -9.963 0.544 2.465 1.00 21.44 N ATOM 1353 CA HIS A 82 -9.424 -0.070 3.674 1.00 2.11 C ATOM 1354 C HIS A 82 -9.984 -1.476 3.866 1.00 44.12 C ATOM 1355 O HIS A 82 -11.194 -1.691 3.786 1.00 41.51 O ATOM 1356 CB HIS A 82 -9.747 0.791 4.896 1.00 62.42 C ATOM 1357 CG HIS A 82 -9.830 0.012 6.173 1.00 42.51 C ATOM 1358 ND1 HIS A 82 -8.933 0.168 7.208 1.00 2.54 N ATOM 1359 CD2 HIS A 82 -10.711 -0.932 6.579 1.00 61.03 C ATOM 1360 CE1 HIS A 82 -9.258 -0.648 8.195 1.00 2.33 C ATOM 1361 NE2 HIS A 82 -10.333 -1.326 7.838 1.00 14.25 N ATOM 0 H HIS A 82 -10.944 0.815 2.531 1.00 21.44 H new ATOM 0 HA HIS A 82 -8.342 -0.141 3.564 1.00 2.11 H new ATOM 0 HB2 HIS A 82 -8.983 1.562 4.999 1.00 62.42 H new ATOM 0 HB3 HIS A 82 -10.695 1.302 4.730 1.00 62.42 H new ATOM 0 HD1 HIS A 82 -8.142 0.812 7.211 1.00 2.54 H new ATOM 0 HD2 HIS A 82 -11.554 -1.305 6.017 1.00 61.03 H new ATOM 0 HE1 HIS A 82 -8.733 -0.744 9.134 1.00 2.33 H new ATOM 1370 N CYS A 83 -9.096 -2.432 4.118 1.00 4.34 N ATOM 1371 CA CYS A 83 -9.500 -3.818 4.321 1.00 73.20 C ATOM 1372 C CYS A 83 -8.855 -4.395 5.578 1.00 73.41 C ATOM 1373 O CYS A 83 -7.868 -5.127 5.501 1.00 23.13 O ATOM 1374 CB CYS A 83 -9.120 -4.664 3.105 1.00 62.41 C ATOM 1375 SG CYS A 83 -10.068 -4.273 1.600 1.00 53.53 S ATOM 0 H CYS A 83 -8.091 -2.272 4.187 1.00 4.34 H new ATOM 0 HA CYS A 83 -10.582 -3.840 4.447 1.00 73.20 H new ATOM 0 HB2 CYS A 83 -8.059 -4.527 2.898 1.00 62.41 H new ATOM 0 HB3 CYS A 83 -9.264 -5.717 3.349 1.00 62.41 H new ATOM 1380 N ASP A 84 -9.420 -4.060 6.733 1.00 51.11 N ATOM 1381 CA ASP A 84 -8.902 -4.545 8.007 1.00 45.13 C ATOM 1382 C ASP A 84 -9.382 -5.966 8.283 1.00 23.44 C ATOM 1383 O ASP A 84 -10.481 -6.351 7.880 1.00 12.21 O ATOM 1384 CB ASP A 84 -9.333 -3.617 9.144 1.00 61.31 C ATOM 1385 CG ASP A 84 -9.232 -4.282 10.502 1.00 42.42 C ATOM 1386 OD1 ASP A 84 -8.105 -4.382 11.032 1.00 31.32 O ATOM 1387 OD2 ASP A 84 -10.280 -4.703 11.036 1.00 62.12 O ATOM 0 H ASP A 84 -10.237 -3.454 6.813 1.00 51.11 H new ATOM 0 HA ASP A 84 -7.814 -4.554 7.949 1.00 45.13 H new ATOM 0 HB2 ASP A 84 -8.712 -2.722 9.134 1.00 61.31 H new ATOM 0 HB3 ASP A 84 -10.360 -3.294 8.976 1.00 61.31 H new ATOM 1392 N LEU A 85 -8.553 -6.742 8.971 1.00 4.23 N ATOM 1393 CA LEU A 85 -8.893 -8.123 9.301 1.00 44.40 C ATOM 1394 C LEU A 85 -10.068 -8.177 10.271 1.00 2.20 C ATOM 1395 O LEU A 85 -9.921 -7.879 11.457 1.00 73.25 O ATOM 1396 CB LEU A 85 -7.682 -8.835 9.908 1.00 61.41 C ATOM 1397 CG LEU A 85 -7.827 -10.343 10.116 1.00 64.10 C ATOM 1398 CD1 LEU A 85 -8.155 -11.034 8.801 1.00 12.21 C ATOM 1399 CD2 LEU A 85 -6.555 -10.922 10.721 1.00 13.22 C ATOM 0 H LEU A 85 -7.640 -6.440 9.312 1.00 4.23 H new ATOM 0 HA LEU A 85 -9.182 -8.631 8.381 1.00 44.40 H new ATOM 0 HB2 LEU A 85 -6.821 -8.658 9.264 1.00 61.41 H new ATOM 0 HB3 LEU A 85 -7.460 -8.375 10.871 1.00 61.41 H new ATOM 0 HG LEU A 85 -8.649 -10.518 10.810 1.00 64.10 H new ATOM 0 HD11 LEU A 85 -8.254 -12.106 8.968 1.00 12.21 H new ATOM 0 HD12 LEU A 85 -9.092 -10.640 8.407 1.00 12.21 H new ATOM 0 HD13 LEU A 85 -7.354 -10.851 8.084 1.00 12.21 H new ATOM 0 HD21 LEU A 85 -6.676 -11.996 10.862 1.00 13.22 H new ATOM 0 HD22 LEU A 85 -5.716 -10.736 10.051 1.00 13.22 H new ATOM 0 HD23 LEU A 85 -6.362 -10.449 11.684 1.00 13.22 H new ATOM 1411 N ILE A 86 -11.233 -8.562 9.760 1.00 42.52 N ATOM 1412 CA ILE A 86 -12.433 -8.657 10.582 1.00 22.33 C ATOM 1413 C ILE A 86 -12.424 -9.932 11.420 1.00 61.40 C ATOM 1414 O ILE A 86 -13.405 -10.254 12.088 1.00 23.24 O ATOM 1415 CB ILE A 86 -13.709 -8.632 9.720 1.00 11.03 C ATOM 1416 CG1 ILE A 86 -13.730 -7.382 8.838 1.00 23.43 C ATOM 1417 CG2 ILE A 86 -14.946 -8.684 10.605 1.00 42.44 C ATOM 1418 CD1 ILE A 86 -15.030 -7.193 8.089 1.00 74.31 C ATOM 0 H ILE A 86 -11.371 -8.813 8.781 1.00 42.52 H new ATOM 0 HA ILE A 86 -12.434 -7.790 11.242 1.00 22.33 H new ATOM 0 HB ILE A 86 -13.711 -9.510 9.073 1.00 11.03 H new ATOM 0 HG12 ILE A 86 -13.548 -6.505 9.460 1.00 23.43 H new ATOM 0 HG13 ILE A 86 -12.912 -7.440 8.120 1.00 23.43 H new ATOM 0 HG21 ILE A 86 -15.840 -8.666 9.982 1.00 42.44 H new ATOM 0 HG22 ILE A 86 -14.933 -9.601 11.195 1.00 42.44 H new ATOM 0 HG23 ILE A 86 -14.952 -7.823 11.273 1.00 42.44 H new ATOM 0 HD11 ILE A 86 -14.973 -6.288 7.484 1.00 74.31 H new ATOM 0 HD12 ILE A 86 -15.205 -8.052 7.441 1.00 74.31 H new ATOM 0 HD13 ILE A 86 -15.850 -7.103 8.801 1.00 74.31 H new ATOM 1430 N ASN A 87 -11.307 -10.652 11.380 1.00 12.14 N ATOM 1431 CA ASN A 87 -11.169 -11.892 12.137 1.00 15.42 C ATOM 1432 C ASN A 87 -9.875 -11.895 12.944 1.00 3.22 C ATOM 1433 O ASN A 87 -8.853 -12.435 12.522 1.00 24.52 O ATOM 1434 CB ASN A 87 -11.199 -13.095 11.193 1.00 1.12 C ATOM 1435 CG ASN A 87 -10.651 -12.766 9.819 1.00 2.10 C ATOM 1436 OD1 ASN A 87 -11.247 -11.993 9.069 1.00 21.42 O ATOM 1437 ND2 ASN A 87 -9.508 -13.353 9.481 1.00 11.34 N ATOM 0 H ASN A 87 -10.485 -10.399 10.832 1.00 12.14 H new ATOM 0 HA ASN A 87 -12.008 -11.962 12.830 1.00 15.42 H new ATOM 0 HB2 ASN A 87 -10.618 -13.909 11.627 1.00 1.12 H new ATOM 0 HB3 ASN A 87 -12.224 -13.452 11.096 1.00 1.12 H new ATOM 0 HD21 ASN A 87 -9.091 -13.169 8.569 1.00 11.34 H new ATOM 0 HD22 ASN A 87 -9.048 -13.987 10.134 1.00 11.34 H new ATOM 1444 N PRO A 88 -9.918 -11.276 14.134 1.00 22.54 N ATOM 1445 CA PRO A 88 -8.757 -11.196 15.026 1.00 32.11 C ATOM 1446 C PRO A 88 -8.396 -12.548 15.631 1.00 61.25 C ATOM 1447 O PRO A 88 -9.195 -13.155 16.341 1.00 1.32 O ATOM 1448 CB PRO A 88 -9.217 -10.227 16.118 1.00 65.10 C ATOM 1449 CG PRO A 88 -10.702 -10.339 16.124 1.00 24.23 C ATOM 1450 CD PRO A 88 -11.103 -10.611 14.700 1.00 1.45 C ATOM 0 HA PRO A 88 -7.859 -10.872 14.499 1.00 32.11 H new ATOM 0 HB2 PRO A 88 -8.796 -10.494 17.087 1.00 65.10 H new ATOM 0 HB3 PRO A 88 -8.898 -9.207 15.902 1.00 65.10 H new ATOM 0 HG2 PRO A 88 -11.030 -11.144 16.782 1.00 24.23 H new ATOM 0 HG3 PRO A 88 -11.161 -9.421 16.490 1.00 24.23 H new ATOM 0 HD2 PRO A 88 -11.986 -11.248 14.646 1.00 1.45 H new ATOM 0 HD3 PRO A 88 -11.341 -9.691 14.167 1.00 1.45 H new ATOM 1458 N GLY A 89 -7.183 -13.015 15.343 1.00 15.01 N ATOM 1459 CA GLY A 89 -6.737 -14.292 15.868 1.00 73.41 C ATOM 1460 C GLY A 89 -6.727 -15.381 14.813 1.00 74.52 C ATOM 1461 O GLY A 89 -6.309 -16.507 15.077 1.00 72.11 O ATOM 0 H GLY A 89 -6.503 -12.532 14.756 1.00 15.01 H new ATOM 0 HA2 GLY A 89 -5.734 -14.181 16.281 1.00 73.41 H new ATOM 0 HA3 GLY A 89 -7.389 -14.592 16.689 1.00 73.41 H new ATOM 1465 N ALA A 90 -7.192 -15.044 13.613 1.00 5.31 N ATOM 1466 CA ALA A 90 -7.235 -16.001 12.515 1.00 65.54 C ATOM 1467 C ALA A 90 -5.898 -16.055 11.782 1.00 31.33 C ATOM 1468 O ALA A 90 -5.256 -15.027 11.568 1.00 73.31 O ATOM 1469 CB ALA A 90 -8.355 -15.646 11.548 1.00 3.34 C ATOM 0 H ALA A 90 -7.544 -14.116 13.378 1.00 5.31 H new ATOM 0 HA ALA A 90 -7.431 -16.988 12.934 1.00 65.54 H new ATOM 0 HB1 ALA A 90 -8.375 -16.370 10.733 1.00 3.34 H new ATOM 0 HB2 ALA A 90 -9.310 -15.665 12.074 1.00 3.34 H new ATOM 0 HB3 ALA A 90 -8.184 -14.648 11.143 1.00 3.34 H new ATOM 1475 N GLN A 91 -5.486 -17.260 11.400 1.00 11.23 N ATOM 1476 CA GLN A 91 -4.225 -17.447 10.693 1.00 43.45 C ATOM 1477 C GLN A 91 -4.434 -18.238 9.407 1.00 73.44 C ATOM 1478 O GLN A 91 -3.906 -19.338 9.250 1.00 74.43 O ATOM 1479 CB GLN A 91 -3.214 -18.166 11.589 1.00 52.40 C ATOM 1480 CG GLN A 91 -1.781 -18.062 11.094 1.00 43.41 C ATOM 1481 CD GLN A 91 -0.766 -18.374 12.175 1.00 30.24 C ATOM 1482 OE1 GLN A 91 -0.190 -17.471 12.783 1.00 74.32 O ATOM 1483 NE2 GLN A 91 -0.541 -19.660 12.423 1.00 54.21 N ATOM 0 H GLN A 91 -6.007 -18.121 11.568 1.00 11.23 H new ATOM 0 HA GLN A 91 -3.834 -16.463 10.434 1.00 43.45 H new ATOM 0 HB2 GLN A 91 -3.273 -17.751 12.595 1.00 52.40 H new ATOM 0 HB3 GLN A 91 -3.489 -19.218 11.662 1.00 52.40 H new ATOM 0 HG2 GLN A 91 -1.639 -18.748 10.259 1.00 43.41 H new ATOM 0 HG3 GLN A 91 -1.604 -17.056 10.714 1.00 43.41 H new ATOM 0 HE21 GLN A 91 -1.040 -20.376 11.896 1.00 54.21 H new ATOM 0 HE22 GLN A 91 0.131 -19.931 13.141 1.00 54.21 H new ATOM 1492 N ASN A 92 -5.210 -17.671 8.487 1.00 3.35 N ATOM 1493 CA ASN A 92 -5.491 -18.325 7.214 1.00 11.43 C ATOM 1494 C ASN A 92 -5.927 -17.307 6.165 1.00 14.55 C ATOM 1495 O ASN A 92 -6.955 -16.646 6.316 1.00 71.41 O ATOM 1496 CB ASN A 92 -6.577 -19.388 7.392 1.00 4.14 C ATOM 1497 CG ASN A 92 -6.046 -20.655 8.036 1.00 43.41 C ATOM 1498 OD1 ASN A 92 -6.279 -20.908 9.217 1.00 31.42 O ATOM 1499 ND2 ASN A 92 -5.326 -21.456 7.259 1.00 33.33 N ATOM 0 H ASN A 92 -5.655 -16.760 8.600 1.00 3.35 H new ATOM 0 HA ASN A 92 -4.575 -18.805 6.870 1.00 11.43 H new ATOM 0 HB2 ASN A 92 -7.382 -18.982 8.005 1.00 4.14 H new ATOM 0 HB3 ASN A 92 -7.007 -19.630 6.420 1.00 4.14 H new ATOM 0 HD21 ASN A 92 -4.941 -22.322 7.637 1.00 33.33 H new ATOM 0 HD22 ASN A 92 -5.158 -21.206 6.285 1.00 33.33 H new ATOM 1506 N ILE A 93 -5.138 -17.186 5.102 1.00 35.13 N ATOM 1507 CA ILE A 93 -5.444 -16.251 4.028 1.00 52.42 C ATOM 1508 C ILE A 93 -6.638 -16.727 3.207 1.00 14.01 C ATOM 1509 O ILE A 93 -7.174 -15.985 2.384 1.00 54.41 O ATOM 1510 CB ILE A 93 -4.237 -16.055 3.091 1.00 13.03 C ATOM 1511 CG1 ILE A 93 -3.485 -17.375 2.911 1.00 61.42 C ATOM 1512 CG2 ILE A 93 -3.309 -14.982 3.639 1.00 73.15 C ATOM 1513 CD1 ILE A 93 -2.662 -17.433 1.643 1.00 4.03 C ATOM 0 H ILE A 93 -4.283 -17.724 4.962 1.00 35.13 H new ATOM 0 HA ILE A 93 -5.687 -15.299 4.499 1.00 52.42 H new ATOM 0 HB ILE A 93 -4.601 -15.729 2.117 1.00 13.03 H new ATOM 0 HG12 ILE A 93 -2.829 -17.530 3.768 1.00 61.42 H new ATOM 0 HG13 ILE A 93 -4.203 -18.195 2.907 1.00 61.42 H new ATOM 0 HG21 ILE A 93 -2.461 -14.856 2.966 1.00 73.15 H new ATOM 0 HG22 ILE A 93 -3.851 -14.040 3.721 1.00 73.15 H new ATOM 0 HG23 ILE A 93 -2.949 -15.281 4.623 1.00 73.15 H new ATOM 0 HD11 ILE A 93 -2.157 -18.397 1.581 1.00 4.03 H new ATOM 0 HD12 ILE A 93 -3.315 -17.310 0.779 1.00 4.03 H new ATOM 0 HD13 ILE A 93 -1.920 -16.634 1.654 1.00 4.03 H new ATOM 1525 N SER A 94 -7.052 -17.968 3.440 1.00 41.13 N ATOM 1526 CA SER A 94 -8.182 -18.545 2.720 1.00 5.41 C ATOM 1527 C SER A 94 -9.503 -18.106 3.345 1.00 70.33 C ATOM 1528 O SER A 94 -10.432 -17.709 2.643 1.00 23.42 O ATOM 1529 CB SER A 94 -8.087 -20.072 2.718 1.00 3.44 C ATOM 1530 OG SER A 94 -7.001 -20.514 1.922 1.00 72.30 O ATOM 0 H SER A 94 -6.622 -18.594 4.121 1.00 41.13 H new ATOM 0 HA SER A 94 -8.149 -18.186 1.691 1.00 5.41 H new ATOM 0 HB2 SER A 94 -7.964 -20.433 3.739 1.00 3.44 H new ATOM 0 HB3 SER A 94 -9.016 -20.497 2.339 1.00 3.44 H new ATOM 0 HG SER A 94 -6.961 -21.493 1.938 1.00 72.30 H new ATOM 1536 N ASN A 95 -9.578 -18.182 4.670 1.00 40.20 N ATOM 1537 CA ASN A 95 -10.785 -17.794 5.390 1.00 20.24 C ATOM 1538 C ASN A 95 -10.572 -16.487 6.146 1.00 43.44 C ATOM 1539 O ASN A 95 -11.140 -16.275 7.218 1.00 22.22 O ATOM 1540 CB ASN A 95 -11.199 -18.899 6.366 1.00 40.43 C ATOM 1541 CG ASN A 95 -12.392 -18.503 7.214 1.00 42.11 C ATOM 1542 OD1 ASN A 95 -13.222 -17.693 6.799 1.00 43.21 O ATOM 1543 ND2 ASN A 95 -12.484 -19.075 8.409 1.00 51.40 N ATOM 0 H ASN A 95 -8.818 -18.509 5.266 1.00 40.20 H new ATOM 0 HA ASN A 95 -11.581 -17.645 4.660 1.00 20.24 H new ATOM 0 HB2 ASN A 95 -11.438 -19.803 5.807 1.00 40.43 H new ATOM 0 HB3 ASN A 95 -10.358 -19.140 7.016 1.00 40.43 H new ATOM 0 HD21 ASN A 95 -13.266 -18.849 9.024 1.00 51.40 H new ATOM 0 HD22 ASN A 95 -11.773 -19.741 8.712 1.00 51.40 H new ATOM 1550 N CYS A 96 -9.748 -15.610 5.579 1.00 23.03 N ATOM 1551 CA CYS A 96 -9.459 -14.323 6.198 1.00 43.41 C ATOM 1552 C CYS A 96 -10.454 -13.262 5.738 1.00 40.42 C ATOM 1553 O CYS A 96 -10.373 -12.766 4.614 1.00 11.52 O ATOM 1554 CB CYS A 96 -8.033 -13.880 5.860 1.00 54.02 C ATOM 1555 SG CYS A 96 -7.761 -12.084 5.991 1.00 1.15 S ATOM 0 H CYS A 96 -9.270 -15.768 4.692 1.00 23.03 H new ATOM 0 HA CYS A 96 -9.551 -14.439 7.278 1.00 43.41 H new ATOM 0 HB2 CYS A 96 -7.338 -14.391 6.526 1.00 54.02 H new ATOM 0 HB3 CYS A 96 -7.796 -14.199 4.845 1.00 54.02 H new ATOM 1560 N ARG A 97 -11.392 -12.919 6.615 1.00 21.24 N ATOM 1561 CA ARG A 97 -12.404 -11.918 6.299 1.00 75.32 C ATOM 1562 C ARG A 97 -11.837 -10.508 6.438 1.00 23.40 C ATOM 1563 O ARG A 97 -11.104 -10.214 7.382 1.00 62.23 O ATOM 1564 CB ARG A 97 -13.619 -12.083 7.215 1.00 64.23 C ATOM 1565 CG ARG A 97 -14.442 -13.325 6.917 1.00 61.34 C ATOM 1566 CD ARG A 97 -15.155 -13.213 5.578 1.00 41.32 C ATOM 1567 NE ARG A 97 -16.244 -14.179 5.455 1.00 43.31 N ATOM 1568 CZ ARG A 97 -16.071 -15.434 5.057 1.00 32.21 C ATOM 1569 NH1 ARG A 97 -14.859 -15.874 4.747 1.00 60.53 N ATOM 1570 NH2 ARG A 97 -17.112 -16.253 4.971 1.00 65.51 N ATOM 0 H ARG A 97 -11.472 -13.319 7.550 1.00 21.24 H new ATOM 0 HA ARG A 97 -12.714 -12.066 5.265 1.00 75.32 H new ATOM 0 HB2 ARG A 97 -13.280 -12.122 8.250 1.00 64.23 H new ATOM 0 HB3 ARG A 97 -14.256 -11.204 7.121 1.00 64.23 H new ATOM 0 HG2 ARG A 97 -13.793 -14.201 6.913 1.00 61.34 H new ATOM 0 HG3 ARG A 97 -15.175 -13.476 7.709 1.00 61.34 H new ATOM 0 HD2 ARG A 97 -15.551 -12.204 5.461 1.00 41.32 H new ATOM 0 HD3 ARG A 97 -14.439 -13.370 4.772 1.00 41.32 H new ATOM 0 HE ARG A 97 -17.189 -13.873 5.688 1.00 43.31 H new ATOM 0 HH11 ARG A 97 -14.057 -15.248 4.814 1.00 60.53 H new ATOM 0 HH12 ARG A 97 -14.729 -16.839 4.442 1.00 60.53 H new ATOM 0 HH21 ARG A 97 -18.045 -15.918 5.211 1.00 65.51 H new ATOM 0 HH22 ARG A 97 -16.979 -17.217 4.665 1.00 65.51 H new ATOM 1584 N TYR A 98 -12.181 -9.643 5.491 1.00 42.50 N ATOM 1585 CA TYR A 98 -11.704 -8.265 5.506 1.00 11.11 C ATOM 1586 C TYR A 98 -12.872 -7.284 5.507 1.00 74.22 C ATOM 1587 O TYR A 98 -13.974 -7.613 5.067 1.00 44.22 O ATOM 1588 CB TYR A 98 -10.803 -8.002 4.298 1.00 10.12 C ATOM 1589 CG TYR A 98 -9.358 -8.382 4.526 1.00 23.21 C ATOM 1590 CD1 TYR A 98 -8.703 -8.030 5.701 1.00 75.53 C ATOM 1591 CD2 TYR A 98 -8.646 -9.093 3.568 1.00 63.00 C ATOM 1592 CE1 TYR A 98 -7.382 -8.375 5.914 1.00 33.32 C ATOM 1593 CE2 TYR A 98 -7.325 -9.443 3.773 1.00 1.31 C ATOM 1594 CZ TYR A 98 -6.698 -9.081 4.947 1.00 31.33 C ATOM 1595 OH TYR A 98 -5.382 -9.428 5.155 1.00 53.13 O ATOM 0 H TYR A 98 -12.788 -9.871 4.704 1.00 42.50 H new ATOM 0 HA TYR A 98 -11.128 -8.117 6.419 1.00 11.11 H new ATOM 0 HB2 TYR A 98 -11.185 -8.558 3.442 1.00 10.12 H new ATOM 0 HB3 TYR A 98 -10.855 -6.944 4.040 1.00 10.12 H new ATOM 0 HD1 TYR A 98 -9.236 -7.477 6.460 1.00 75.53 H new ATOM 0 HD2 TYR A 98 -9.133 -9.377 2.647 1.00 63.00 H new ATOM 0 HE1 TYR A 98 -6.888 -8.093 6.832 1.00 33.32 H new ATOM 0 HE2 TYR A 98 -6.787 -9.997 3.018 1.00 1.31 H new ATOM 0 HH TYR A 98 -5.283 -9.815 6.050 1.00 53.13 H new ATOM 1605 N ALA A 99 -12.622 -6.076 6.003 1.00 63.42 N ATOM 1606 CA ALA A 99 -13.651 -5.045 6.059 1.00 65.42 C ATOM 1607 C ALA A 99 -13.393 -3.956 5.024 1.00 71.33 C ATOM 1608 O ALA A 99 -12.506 -3.120 5.196 1.00 4.00 O ATOM 1609 CB ALA A 99 -13.720 -4.445 7.455 1.00 74.11 C ATOM 0 H ALA A 99 -11.716 -5.788 6.372 1.00 63.42 H new ATOM 0 HA ALA A 99 -14.610 -5.509 5.827 1.00 65.42 H new ATOM 0 HB1 ALA A 99 -14.492 -3.676 7.483 1.00 74.11 H new ATOM 0 HB2 ALA A 99 -13.960 -5.227 8.176 1.00 74.11 H new ATOM 0 HB3 ALA A 99 -12.757 -4.001 7.708 1.00 74.11 H new ATOM 1615 N ASP A 100 -14.174 -3.972 3.949 1.00 45.40 N ATOM 1616 CA ASP A 100 -14.029 -2.984 2.885 1.00 31.20 C ATOM 1617 C ASP A 100 -14.592 -1.634 3.318 1.00 33.20 C ATOM 1618 O ASP A 100 -15.807 -1.465 3.434 1.00 64.20 O ATOM 1619 CB ASP A 100 -14.736 -3.463 1.616 1.00 2.43 C ATOM 1620 CG ASP A 100 -16.243 -3.508 1.774 1.00 5.54 C ATOM 1621 OD1 ASP A 100 -16.750 -4.494 2.349 1.00 15.21 O ATOM 1622 OD2 ASP A 100 -16.914 -2.557 1.324 1.00 12.23 O ATOM 0 H ASP A 100 -14.913 -4.657 3.791 1.00 45.40 H new ATOM 0 HA ASP A 100 -12.966 -2.864 2.676 1.00 31.20 H new ATOM 0 HB2 ASP A 100 -14.480 -2.801 0.789 1.00 2.43 H new ATOM 0 HB3 ASP A 100 -14.371 -4.456 1.353 1.00 2.43 H new ATOM 1627 N ARG A 101 -13.703 -0.675 3.555 1.00 24.34 N ATOM 1628 CA ARG A 101 -14.112 0.659 3.976 1.00 12.44 C ATOM 1629 C ARG A 101 -13.653 1.711 2.971 1.00 32.33 C ATOM 1630 O ARG A 101 -12.481 2.084 2.917 1.00 3.21 O ATOM 1631 CB ARG A 101 -13.541 0.977 5.360 1.00 63.43 C ATOM 1632 CG ARG A 101 -14.469 1.816 6.224 1.00 62.21 C ATOM 1633 CD ARG A 101 -15.718 1.042 6.613 1.00 73.40 C ATOM 1634 NE ARG A 101 -15.572 0.380 7.907 1.00 73.54 N ATOM 1635 CZ ARG A 101 -15.711 1.004 9.071 1.00 55.11 C ATOM 1636 NH1 ARG A 101 -15.999 2.298 9.103 1.00 35.13 N ATOM 1637 NH2 ARG A 101 -15.563 0.334 10.206 1.00 3.22 N ATOM 0 H ARG A 101 -12.695 -0.797 3.463 1.00 24.34 H new ATOM 0 HA ARG A 101 -15.201 0.680 4.025 1.00 12.44 H new ATOM 0 HB2 ARG A 101 -13.323 0.043 5.877 1.00 63.43 H new ATOM 0 HB3 ARG A 101 -12.594 1.504 5.241 1.00 63.43 H new ATOM 0 HG2 ARG A 101 -13.942 2.134 7.123 1.00 62.21 H new ATOM 0 HG3 ARG A 101 -14.753 2.719 5.684 1.00 62.21 H new ATOM 0 HD2 ARG A 101 -16.569 1.722 6.648 1.00 73.40 H new ATOM 0 HD3 ARG A 101 -15.936 0.297 5.848 1.00 73.40 H new ATOM 0 HE ARG A 101 -15.351 -0.616 7.917 1.00 73.54 H new ATOM 0 HH11 ARG A 101 -16.114 2.816 8.232 1.00 35.13 H new ATOM 0 HH12 ARG A 101 -16.105 2.775 9.998 1.00 35.13 H new ATOM 0 HH21 ARG A 101 -15.342 -0.662 10.185 1.00 3.22 H new ATOM 0 HH22 ARG A 101 -15.670 0.814 11.099 1.00 3.22 H new ATOM 1651 N PRO A 102 -14.598 2.201 2.155 1.00 41.33 N ATOM 1652 CA PRO A 102 -14.314 3.216 1.136 1.00 53.23 C ATOM 1653 C PRO A 102 -13.998 4.578 1.746 1.00 22.15 C ATOM 1654 O PRO A 102 -14.509 4.926 2.810 1.00 55.21 O ATOM 1655 CB PRO A 102 -15.614 3.282 0.329 1.00 11.15 C ATOM 1656 CG PRO A 102 -16.670 2.823 1.275 1.00 41.14 C ATOM 1657 CD PRO A 102 -16.015 1.802 2.163 1.00 20.53 C ATOM 0 HA PRO A 102 -13.438 2.960 0.540 1.00 53.23 H new ATOM 0 HB2 PRO A 102 -15.811 4.295 -0.023 1.00 11.15 H new ATOM 0 HB3 PRO A 102 -15.566 2.642 -0.552 1.00 11.15 H new ATOM 0 HG2 PRO A 102 -17.059 3.657 1.860 1.00 41.14 H new ATOM 0 HG3 PRO A 102 -17.513 2.389 0.738 1.00 41.14 H new ATOM 0 HD2 PRO A 102 -16.432 1.819 3.170 1.00 20.53 H new ATOM 0 HD3 PRO A 102 -16.150 0.791 1.780 1.00 20.53 H new ATOM 1665 N GLY A 103 -13.151 5.344 1.067 1.00 24.11 N ATOM 1666 CA GLY A 103 -12.781 6.658 1.558 1.00 3.52 C ATOM 1667 C GLY A 103 -11.933 7.431 0.567 1.00 71.51 C ATOM 1668 O GLY A 103 -11.594 6.920 -0.501 1.00 61.13 O ATOM 0 H GLY A 103 -12.714 5.078 0.185 1.00 24.11 H new ATOM 0 HA2 GLY A 103 -13.684 7.227 1.780 1.00 3.52 H new ATOM 0 HA3 GLY A 103 -12.233 6.551 2.494 1.00 3.52 H new ATOM 1672 N ARG A 104 -11.590 8.666 0.920 1.00 22.40 N ATOM 1673 CA ARG A 104 -10.779 9.511 0.052 1.00 75.43 C ATOM 1674 C ARG A 104 -9.940 10.486 0.872 1.00 31.02 C ATOM 1675 O ARG A 104 -10.467 11.436 1.452 1.00 2.22 O ATOM 1676 CB ARG A 104 -11.672 10.282 -0.923 1.00 25.10 C ATOM 1677 CG ARG A 104 -10.908 11.252 -1.809 1.00 71.54 C ATOM 1678 CD ARG A 104 -11.849 12.194 -2.544 1.00 61.11 C ATOM 1679 NE ARG A 104 -11.304 12.619 -3.831 1.00 72.03 N ATOM 1680 CZ ARG A 104 -12.027 13.211 -4.776 1.00 3.40 C ATOM 1681 NH1 ARG A 104 -13.316 13.447 -4.578 1.00 42.30 N ATOM 1682 NH2 ARG A 104 -11.458 13.568 -5.921 1.00 14.52 N ATOM 0 H ARG A 104 -11.861 9.103 1.801 1.00 22.40 H new ATOM 0 HA ARG A 104 -10.106 8.868 -0.514 1.00 75.43 H new ATOM 0 HB2 ARG A 104 -12.207 9.571 -1.553 1.00 25.10 H new ATOM 0 HB3 ARG A 104 -12.423 10.834 -0.357 1.00 25.10 H new ATOM 0 HG2 ARG A 104 -10.213 11.831 -1.201 1.00 71.54 H new ATOM 0 HG3 ARG A 104 -10.312 10.694 -2.531 1.00 71.54 H new ATOM 0 HD2 ARG A 104 -12.807 11.699 -2.702 1.00 61.11 H new ATOM 0 HD3 ARG A 104 -12.041 13.070 -1.925 1.00 61.11 H new ATOM 0 HE ARG A 104 -10.315 12.452 -4.014 1.00 72.03 H new ATOM 0 HH11 ARG A 104 -13.755 13.174 -3.699 1.00 42.30 H new ATOM 0 HH12 ARG A 104 -13.869 13.902 -5.305 1.00 42.30 H new ATOM 0 HH21 ARG A 104 -10.466 13.388 -6.075 1.00 14.52 H new ATOM 0 HH22 ARG A 104 -12.013 14.022 -6.646 1.00 14.52 H new ATOM 1696 N ARG A 105 -8.634 10.244 0.915 1.00 55.32 N ATOM 1697 CA ARG A 105 -7.723 11.101 1.664 1.00 12.14 C ATOM 1698 C ARG A 105 -6.282 10.889 1.213 1.00 71.13 C ATOM 1699 O ARG A 105 -6.016 10.113 0.294 1.00 42.40 O ATOM 1700 CB ARG A 105 -7.846 10.822 3.164 1.00 43.22 C ATOM 1701 CG ARG A 105 -8.991 11.565 3.831 1.00 55.52 C ATOM 1702 CD ARG A 105 -9.013 13.032 3.427 1.00 23.22 C ATOM 1703 NE ARG A 105 -9.789 13.845 4.360 1.00 33.31 N ATOM 1704 CZ ARG A 105 -9.433 14.057 5.622 1.00 5.12 C ATOM 1705 NH1 ARG A 105 -8.319 13.519 6.100 1.00 60.31 N ATOM 1706 NH2 ARG A 105 -10.192 14.808 6.409 1.00 2.23 N ATOM 0 H ARG A 105 -8.183 9.462 0.440 1.00 55.32 H new ATOM 0 HA ARG A 105 -7.997 12.138 1.470 1.00 12.14 H new ATOM 0 HB2 ARG A 105 -7.982 9.751 3.316 1.00 43.22 H new ATOM 0 HB3 ARG A 105 -6.912 11.097 3.654 1.00 43.22 H new ATOM 0 HG2 ARG A 105 -9.937 11.097 3.559 1.00 55.52 H new ATOM 0 HG3 ARG A 105 -8.896 11.486 4.914 1.00 55.52 H new ATOM 0 HD2 ARG A 105 -7.992 13.410 3.379 1.00 23.22 H new ATOM 0 HD3 ARG A 105 -9.435 13.126 2.426 1.00 23.22 H new ATOM 0 HE ARG A 105 -10.652 14.273 4.024 1.00 33.31 H new ATOM 0 HH11 ARG A 105 -7.733 12.941 5.498 1.00 60.31 H new ATOM 0 HH12 ARG A 105 -8.048 13.684 7.070 1.00 60.31 H new ATOM 0 HH21 ARG A 105 -11.050 15.223 6.045 1.00 2.23 H new ATOM 0 HH22 ARG A 105 -9.918 14.970 7.378 1.00 2.23 H new ATOM 1720 N PHE A 106 -5.354 11.582 1.865 1.00 73.32 N ATOM 1721 CA PHE A 106 -3.940 11.471 1.530 1.00 61.33 C ATOM 1722 C PHE A 106 -3.403 10.089 1.888 1.00 1.21 C ATOM 1723 O PHE A 106 -4.154 9.209 2.310 1.00 71.42 O ATOM 1724 CB PHE A 106 -3.134 12.549 2.259 1.00 33.34 C ATOM 1725 CG PHE A 106 -3.906 13.815 2.499 1.00 34.51 C ATOM 1726 CD1 PHE A 106 -4.476 14.505 1.442 1.00 62.03 C ATOM 1727 CD2 PHE A 106 -4.063 14.313 3.783 1.00 44.22 C ATOM 1728 CE1 PHE A 106 -5.187 15.670 1.660 1.00 54.11 C ATOM 1729 CE2 PHE A 106 -4.773 15.477 4.006 1.00 51.11 C ATOM 1730 CZ PHE A 106 -5.336 16.158 2.943 1.00 24.51 C ATOM 0 H PHE A 106 -5.557 12.227 2.629 1.00 73.32 H new ATOM 0 HA PHE A 106 -3.835 11.615 0.455 1.00 61.33 H new ATOM 0 HB2 PHE A 106 -2.795 12.153 3.216 1.00 33.34 H new ATOM 0 HB3 PHE A 106 -2.243 12.781 1.676 1.00 33.34 H new ATOM 0 HD1 PHE A 106 -4.364 14.128 0.436 1.00 62.03 H new ATOM 0 HD2 PHE A 106 -3.626 13.786 4.618 1.00 44.22 H new ATOM 0 HE1 PHE A 106 -5.626 16.199 0.827 1.00 54.11 H new ATOM 0 HE2 PHE A 106 -4.888 15.855 5.011 1.00 51.11 H new ATOM 0 HZ PHE A 106 -5.890 17.069 3.115 1.00 24.51 H new ATOM 1740 N TYR A 107 -2.098 9.905 1.716 1.00 14.44 N ATOM 1741 CA TYR A 107 -1.460 8.629 2.019 1.00 3.14 C ATOM 1742 C TYR A 107 0.044 8.804 2.208 1.00 41.20 C ATOM 1743 O TYR A 107 0.707 9.472 1.415 1.00 24.33 O ATOM 1744 CB TYR A 107 -1.732 7.622 0.900 1.00 24.11 C ATOM 1745 CG TYR A 107 -1.523 8.186 -0.487 1.00 11.11 C ATOM 1746 CD1 TYR A 107 -0.252 8.265 -1.042 1.00 25.40 C ATOM 1747 CD2 TYR A 107 -2.597 8.641 -1.242 1.00 12.34 C ATOM 1748 CE1 TYR A 107 -0.056 8.781 -2.309 1.00 23.34 C ATOM 1749 CE2 TYR A 107 -2.411 9.157 -2.509 1.00 74.41 C ATOM 1750 CZ TYR A 107 -1.139 9.224 -3.039 1.00 42.50 C ATOM 1751 OH TYR A 107 -0.950 9.739 -4.301 1.00 50.12 O ATOM 0 H TYR A 107 -1.462 10.623 1.369 1.00 14.44 H new ATOM 0 HA TYR A 107 -1.883 8.251 2.950 1.00 3.14 H new ATOM 0 HB2 TYR A 107 -1.081 6.758 1.034 1.00 24.11 H new ATOM 0 HB3 TYR A 107 -2.758 7.264 0.987 1.00 24.11 H new ATOM 0 HD1 TYR A 107 0.598 7.917 -0.473 1.00 25.40 H new ATOM 0 HD2 TYR A 107 -3.594 8.590 -0.831 1.00 12.34 H new ATOM 0 HE1 TYR A 107 0.939 8.837 -2.725 1.00 23.34 H new ATOM 0 HE2 TYR A 107 -3.257 9.506 -3.082 1.00 74.41 H new ATOM 0 HH TYR A 107 -1.814 10.004 -4.679 1.00 50.12 H new ATOM 1761 N VAL A 108 0.575 8.196 3.265 1.00 41.35 N ATOM 1762 CA VAL A 108 2.001 8.283 3.558 1.00 23.34 C ATOM 1763 C VAL A 108 2.739 7.042 3.066 1.00 54.12 C ATOM 1764 O VAL A 108 2.657 5.976 3.674 1.00 30.23 O ATOM 1765 CB VAL A 108 2.253 8.451 5.068 1.00 64.03 C ATOM 1766 CG1 VAL A 108 3.744 8.413 5.368 1.00 63.22 C ATOM 1767 CG2 VAL A 108 1.634 9.746 5.570 1.00 1.44 C ATOM 0 H VAL A 108 0.040 7.639 3.931 1.00 41.35 H new ATOM 0 HA VAL A 108 2.380 9.160 3.033 1.00 23.34 H new ATOM 0 HB VAL A 108 1.779 7.621 5.592 1.00 64.03 H new ATOM 0 HG11 VAL A 108 3.903 8.533 6.440 1.00 63.22 H new ATOM 0 HG12 VAL A 108 4.156 7.457 5.045 1.00 63.22 H new ATOM 0 HG13 VAL A 108 4.243 9.222 4.834 1.00 63.22 H new ATOM 0 HG21 VAL A 108 1.822 9.849 6.639 1.00 1.44 H new ATOM 0 HG22 VAL A 108 2.077 10.590 5.041 1.00 1.44 H new ATOM 0 HG23 VAL A 108 0.559 9.729 5.390 1.00 1.44 H new ATOM 1777 N VAL A 109 3.460 7.190 1.960 1.00 44.25 N ATOM 1778 CA VAL A 109 4.215 6.083 1.385 1.00 3.43 C ATOM 1779 C VAL A 109 5.716 6.316 1.513 1.00 61.21 C ATOM 1780 O VAL A 109 6.231 7.352 1.092 1.00 22.10 O ATOM 1781 CB VAL A 109 3.863 5.874 -0.099 1.00 63.44 C ATOM 1782 CG1 VAL A 109 2.426 6.293 -0.372 1.00 4.21 C ATOM 1783 CG2 VAL A 109 4.829 6.642 -0.989 1.00 1.11 C ATOM 0 H VAL A 109 3.537 8.066 1.444 1.00 44.25 H new ATOM 0 HA VAL A 109 3.941 5.189 1.945 1.00 3.43 H new ATOM 0 HB VAL A 109 3.957 4.813 -0.330 1.00 63.44 H new ATOM 0 HG11 VAL A 109 2.196 6.138 -1.426 1.00 4.21 H new ATOM 0 HG12 VAL A 109 1.750 5.694 0.239 1.00 4.21 H new ATOM 0 HG13 VAL A 109 2.301 7.347 -0.125 1.00 4.21 H new ATOM 0 HG21 VAL A 109 4.565 6.483 -2.035 1.00 1.11 H new ATOM 0 HG22 VAL A 109 4.770 7.706 -0.758 1.00 1.11 H new ATOM 0 HG23 VAL A 109 5.845 6.289 -0.813 1.00 1.11 H new ATOM 1793 N ALA A 110 6.413 5.346 2.094 1.00 25.23 N ATOM 1794 CA ALA A 110 7.856 5.444 2.275 1.00 41.42 C ATOM 1795 C ALA A 110 8.598 5.009 1.015 1.00 24.11 C ATOM 1796 O ALA A 110 8.627 3.825 0.677 1.00 40.21 O ATOM 1797 CB ALA A 110 8.298 4.606 3.466 1.00 55.11 C ATOM 0 H ALA A 110 6.002 4.482 2.448 1.00 25.23 H new ATOM 0 HA ALA A 110 8.102 6.488 2.469 1.00 41.42 H new ATOM 0 HB1 ALA A 110 9.378 4.689 3.589 1.00 55.11 H new ATOM 0 HB2 ALA A 110 7.802 4.965 4.368 1.00 55.11 H new ATOM 0 HB3 ALA A 110 8.031 3.563 3.296 1.00 55.11 H new ATOM 1803 N CYS A 111 9.197 5.973 0.324 1.00 1.12 N ATOM 1804 CA CYS A 111 9.938 5.689 -0.900 1.00 12.54 C ATOM 1805 C CYS A 111 11.401 5.390 -0.591 1.00 3.54 C ATOM 1806 O CYS A 111 12.075 6.163 0.091 1.00 14.21 O ATOM 1807 CB CYS A 111 9.841 6.872 -1.865 1.00 14.41 C ATOM 1808 SG CYS A 111 8.405 6.803 -2.983 1.00 15.12 S ATOM 0 H CYS A 111 9.184 6.958 0.590 1.00 1.12 H new ATOM 0 HA CYS A 111 9.496 4.810 -1.368 1.00 12.54 H new ATOM 0 HB2 CYS A 111 9.794 7.795 -1.288 1.00 14.41 H new ATOM 0 HB3 CYS A 111 10.752 6.915 -2.463 1.00 14.41 H new ATOM 1813 N ASP A 112 11.888 4.262 -1.098 1.00 42.54 N ATOM 1814 CA ASP A 112 13.273 3.860 -0.879 1.00 30.05 C ATOM 1815 C ASP A 112 13.939 3.464 -2.193 1.00 13.24 C ATOM 1816 O ASP A 112 13.262 3.179 -3.180 1.00 65.04 O ATOM 1817 CB ASP A 112 13.337 2.695 0.112 1.00 60.12 C ATOM 1818 CG ASP A 112 14.604 2.712 0.943 1.00 13.24 C ATOM 1819 OD1 ASP A 112 15.146 3.813 1.175 1.00 25.14 O ATOM 1820 OD2 ASP A 112 15.053 1.625 1.363 1.00 42.34 O ATOM 0 H ASP A 112 11.344 3.610 -1.663 1.00 42.54 H new ATOM 0 HA ASP A 112 13.811 4.711 -0.463 1.00 30.05 H new ATOM 0 HB2 ASP A 112 12.472 2.736 0.773 1.00 60.12 H new ATOM 0 HB3 ASP A 112 13.276 1.754 -0.434 1.00 60.12 H new ATOM 1825 N ASN A 113 15.267 3.450 -2.196 1.00 64.22 N ATOM 1826 CA ASN A 113 16.025 3.091 -3.390 1.00 74.10 C ATOM 1827 C ASN A 113 15.586 1.730 -3.923 1.00 4.52 C ATOM 1828 O ASN A 113 15.684 0.719 -3.227 1.00 53.32 O ATOM 1829 CB ASN A 113 17.523 3.073 -3.082 1.00 64.14 C ATOM 1830 CG ASN A 113 18.012 4.390 -2.512 1.00 40.14 C ATOM 1831 OD1 ASN A 113 17.736 5.457 -3.060 1.00 72.22 O ATOM 1832 ND2 ASN A 113 18.745 4.321 -1.407 1.00 0.43 N ATOM 0 H ASN A 113 15.841 3.683 -1.386 1.00 64.22 H new ATOM 0 HA ASN A 113 15.828 3.842 -4.155 1.00 74.10 H new ATOM 0 HB2 ASN A 113 17.736 2.272 -2.374 1.00 64.14 H new ATOM 0 HB3 ASN A 113 18.076 2.847 -3.994 1.00 64.14 H new ATOM 0 HD21 ASN A 113 19.104 5.174 -0.979 1.00 0.43 H new ATOM 0 HD22 ASN A 113 18.949 3.415 -0.986 1.00 0.43 H new ATOM 1839 N ARG A 114 15.106 1.712 -5.161 1.00 51.14 N ATOM 1840 CA ARG A 114 14.653 0.477 -5.788 1.00 61.33 C ATOM 1841 C ARG A 114 15.562 0.092 -6.952 1.00 31.42 C ATOM 1842 O ARG A 114 16.487 0.826 -7.299 1.00 65.11 O ATOM 1843 CB ARG A 114 13.212 0.628 -6.280 1.00 22.31 C ATOM 1844 CG ARG A 114 13.008 1.810 -7.213 1.00 63.43 C ATOM 1845 CD ARG A 114 12.949 1.368 -8.667 1.00 72.21 C ATOM 1846 NE ARG A 114 11.581 1.099 -9.102 1.00 41.21 N ATOM 1847 CZ ARG A 114 11.049 -0.117 -9.143 1.00 33.31 C ATOM 1848 NH1 ARG A 114 11.765 -1.170 -8.776 1.00 20.03 N ATOM 1849 NH2 ARG A 114 9.797 -0.282 -9.551 1.00 52.41 N ATOM 0 H ARG A 114 15.021 2.540 -5.751 1.00 51.14 H new ATOM 0 HA ARG A 114 14.693 -0.316 -5.041 1.00 61.33 H new ATOM 0 HB2 ARG A 114 12.915 -0.286 -6.795 1.00 22.31 H new ATOM 0 HB3 ARG A 114 12.553 0.737 -5.419 1.00 22.31 H new ATOM 0 HG2 ARG A 114 12.085 2.327 -6.951 1.00 63.43 H new ATOM 0 HG3 ARG A 114 13.821 2.524 -7.081 1.00 63.43 H new ATOM 0 HD2 ARG A 114 13.385 2.142 -9.299 1.00 72.21 H new ATOM 0 HD3 ARG A 114 13.554 0.471 -8.798 1.00 72.21 H new ATOM 0 HE ARG A 114 11.003 1.888 -9.390 1.00 41.21 H new ATOM 0 HH11 ARG A 114 12.727 -1.048 -8.461 1.00 20.03 H new ATOM 0 HH12 ARG A 114 11.354 -2.103 -8.809 1.00 20.03 H new ATOM 0 HH21 ARG A 114 9.242 0.526 -9.834 1.00 52.41 H new ATOM 0 HH22 ARG A 114 9.390 -1.217 -9.582 1.00 52.41 H new ATOM 1863 N ASP A 115 15.292 -1.064 -7.549 1.00 42.34 N ATOM 1864 CA ASP A 115 16.085 -1.546 -8.675 1.00 12.52 C ATOM 1865 C ASP A 115 15.833 -0.699 -9.918 1.00 5.00 C ATOM 1866 O ASP A 115 14.697 -0.509 -10.351 1.00 2.54 O ATOM 1867 CB ASP A 115 15.757 -3.011 -8.965 1.00 45.32 C ATOM 1868 CG ASP A 115 16.955 -3.778 -9.491 1.00 61.21 C ATOM 1869 OD1 ASP A 115 17.594 -3.296 -10.450 1.00 13.34 O ATOM 1870 OD2 ASP A 115 17.252 -4.862 -8.946 1.00 3.34 O ATOM 0 H ASP A 115 14.531 -1.684 -7.273 1.00 42.34 H new ATOM 0 HA ASP A 115 17.139 -1.463 -8.409 1.00 12.52 H new ATOM 0 HB2 ASP A 115 15.396 -3.487 -8.053 1.00 45.32 H new ATOM 0 HB3 ASP A 115 14.948 -3.062 -9.693 1.00 45.32 H new ATOM 1875 N PRO A 116 16.920 -0.177 -10.508 1.00 32.31 N ATOM 1876 CA PRO A 116 16.843 0.658 -11.711 1.00 33.31 C ATOM 1877 C PRO A 116 16.434 -0.139 -12.945 1.00 22.24 C ATOM 1878 O PRO A 116 16.391 0.395 -14.054 1.00 32.53 O ATOM 1879 CB PRO A 116 18.271 1.189 -11.865 1.00 73.53 C ATOM 1880 CG PRO A 116 19.126 0.177 -11.186 1.00 4.04 C ATOM 1881 CD PRO A 116 18.306 -0.364 -10.048 1.00 10.13 C ATOM 0 HA PRO A 116 16.090 1.441 -11.617 1.00 33.31 H new ATOM 0 HB2 PRO A 116 18.542 1.296 -12.915 1.00 73.53 H new ATOM 0 HB3 PRO A 116 18.380 2.172 -11.406 1.00 73.53 H new ATOM 0 HG2 PRO A 116 19.410 -0.619 -11.875 1.00 4.04 H new ATOM 0 HG3 PRO A 116 20.049 0.628 -10.822 1.00 4.04 H new ATOM 0 HD2 PRO A 116 18.528 -1.414 -9.856 1.00 10.13 H new ATOM 0 HD3 PRO A 116 18.498 0.177 -9.121 1.00 10.13 H new ATOM 1889 N ARG A 117 16.136 -1.419 -12.746 1.00 55.42 N ATOM 1890 CA ARG A 117 15.731 -2.289 -13.844 1.00 4.25 C ATOM 1891 C ARG A 117 14.211 -2.369 -13.941 1.00 22.42 C ATOM 1892 O ARG A 117 13.662 -2.663 -15.004 1.00 14.05 O ATOM 1893 CB ARG A 117 16.316 -3.689 -13.654 1.00 62.20 C ATOM 1894 CG ARG A 117 15.606 -4.507 -12.587 1.00 61.44 C ATOM 1895 CD ARG A 117 15.636 -5.992 -12.912 1.00 32.21 C ATOM 1896 NE ARG A 117 15.324 -6.814 -11.746 1.00 42.33 N ATOM 1897 CZ ARG A 117 15.290 -8.142 -11.770 1.00 5.21 C ATOM 1898 NH1 ARG A 117 15.549 -8.795 -12.895 1.00 51.43 N ATOM 1899 NH2 ARG A 117 14.999 -8.820 -10.667 1.00 43.52 N ATOM 0 H ARG A 117 16.167 -1.876 -11.835 1.00 55.42 H new ATOM 0 HA ARG A 117 16.115 -1.865 -14.772 1.00 4.25 H new ATOM 0 HB2 ARG A 117 16.269 -4.225 -14.602 1.00 62.20 H new ATOM 0 HB3 ARG A 117 17.370 -3.600 -13.390 1.00 62.20 H new ATOM 0 HG2 ARG A 117 16.079 -4.335 -11.620 1.00 61.44 H new ATOM 0 HG3 ARG A 117 14.572 -4.173 -12.499 1.00 61.44 H new ATOM 0 HD2 ARG A 117 14.921 -6.204 -13.707 1.00 32.21 H new ATOM 0 HD3 ARG A 117 16.622 -6.260 -13.291 1.00 32.21 H new ATOM 0 HE ARG A 117 15.121 -6.343 -10.865 1.00 42.33 H new ATOM 0 HH11 ARG A 117 15.775 -8.278 -13.745 1.00 51.43 H new ATOM 0 HH12 ARG A 117 15.522 -9.815 -12.911 1.00 51.43 H new ATOM 0 HH21 ARG A 117 14.801 -8.322 -9.799 1.00 43.52 H new ATOM 0 HH22 ARG A 117 14.973 -9.839 -10.687 1.00 43.52 H new ATOM 1913 N ASP A 118 13.537 -2.109 -12.826 1.00 41.21 N ATOM 1914 CA ASP A 118 12.080 -2.152 -12.786 1.00 11.55 C ATOM 1915 C ASP A 118 11.486 -0.788 -13.128 1.00 71.31 C ATOM 1916 O ASP A 118 10.474 -0.698 -13.823 1.00 45.32 O ATOM 1917 CB ASP A 118 11.599 -2.598 -11.404 1.00 2.00 C ATOM 1918 CG ASP A 118 11.402 -4.099 -11.317 1.00 44.02 C ATOM 1919 OD1 ASP A 118 12.414 -4.831 -11.325 1.00 4.25 O ATOM 1920 OD2 ASP A 118 10.238 -4.541 -11.242 1.00 34.21 O ATOM 0 H ASP A 118 13.976 -1.866 -11.938 1.00 41.21 H new ATOM 0 HA ASP A 118 11.742 -2.873 -13.530 1.00 11.55 H new ATOM 0 HB2 ASP A 118 12.323 -2.285 -10.652 1.00 2.00 H new ATOM 0 HB3 ASP A 118 10.660 -2.097 -11.170 1.00 2.00 H new ATOM 1925 N SER A 119 12.122 0.268 -12.634 1.00 55.52 N ATOM 1926 CA SER A 119 11.654 1.627 -12.884 1.00 53.12 C ATOM 1927 C SER A 119 12.810 2.532 -13.303 1.00 31.10 C ATOM 1928 O SER A 119 13.453 3.184 -12.480 1.00 33.54 O ATOM 1929 CB SER A 119 10.977 2.194 -11.635 1.00 32.54 C ATOM 1930 OG SER A 119 10.055 3.215 -11.973 1.00 41.25 O ATOM 0 H SER A 119 12.962 0.210 -12.059 1.00 55.52 H new ATOM 0 HA SER A 119 10.929 1.591 -13.698 1.00 53.12 H new ATOM 0 HB2 SER A 119 10.460 1.395 -11.103 1.00 32.54 H new ATOM 0 HB3 SER A 119 11.732 2.592 -10.957 1.00 32.54 H new ATOM 0 HG SER A 119 9.328 3.230 -11.316 1.00 41.25 H new ATOM 1936 N PRO A 120 13.081 2.572 -14.616 1.00 42.21 N ATOM 1937 CA PRO A 120 14.159 3.393 -15.176 1.00 15.21 C ATOM 1938 C PRO A 120 13.856 4.885 -15.093 1.00 33.32 C ATOM 1939 O PRO A 120 14.764 5.707 -14.973 1.00 4.13 O ATOM 1940 CB PRO A 120 14.225 2.942 -16.637 1.00 41.33 C ATOM 1941 CG PRO A 120 12.861 2.425 -16.937 1.00 53.02 C ATOM 1942 CD PRO A 120 12.356 1.822 -15.655 1.00 13.13 C ATOM 0 HA PRO A 120 15.094 3.263 -14.632 1.00 15.21 H new ATOM 0 HB2 PRO A 120 14.488 3.770 -17.295 1.00 41.33 H new ATOM 0 HB3 PRO A 120 14.981 2.170 -16.779 1.00 41.33 H new ATOM 0 HG2 PRO A 120 12.205 3.227 -17.276 1.00 53.02 H new ATOM 0 HG3 PRO A 120 12.892 1.681 -17.733 1.00 53.02 H new ATOM 0 HD2 PRO A 120 11.277 1.937 -15.555 1.00 13.13 H new ATOM 0 HD3 PRO A 120 12.569 0.754 -15.602 1.00 13.13 H new ATOM 1950 N ARG A 121 12.573 5.228 -15.157 1.00 2.13 N ATOM 1951 CA ARG A 121 12.150 6.621 -15.088 1.00 42.15 C ATOM 1952 C ARG A 121 12.134 7.114 -13.645 1.00 33.02 C ATOM 1953 O ARG A 121 12.680 8.172 -13.333 1.00 44.32 O ATOM 1954 CB ARG A 121 10.763 6.786 -15.712 1.00 10.41 C ATOM 1955 CG ARG A 121 9.874 5.564 -15.552 1.00 21.53 C ATOM 1956 CD ARG A 121 9.982 4.636 -16.751 1.00 70.13 C ATOM 1957 NE ARG A 121 8.968 4.927 -17.761 1.00 52.22 N ATOM 1958 CZ ARG A 121 7.714 4.492 -17.691 1.00 13.23 C ATOM 1959 NH1 ARG A 121 7.323 3.751 -16.663 1.00 13.21 N ATOM 1960 NH2 ARG A 121 6.849 4.799 -18.649 1.00 53.32 N ATOM 0 H ARG A 121 11.809 4.560 -15.257 1.00 2.13 H new ATOM 0 HA ARG A 121 12.867 7.221 -15.649 1.00 42.15 H new ATOM 0 HB2 ARG A 121 10.270 7.646 -15.258 1.00 10.41 H new ATOM 0 HB3 ARG A 121 10.875 7.007 -16.774 1.00 10.41 H new ATOM 0 HG2 ARG A 121 10.154 5.025 -14.647 1.00 21.53 H new ATOM 0 HG3 ARG A 121 8.838 5.880 -15.427 1.00 21.53 H new ATOM 0 HD2 ARG A 121 10.973 4.731 -17.195 1.00 70.13 H new ATOM 0 HD3 ARG A 121 9.878 3.603 -16.420 1.00 70.13 H new ATOM 0 HE ARG A 121 9.237 5.495 -18.564 1.00 52.22 H new ATOM 0 HH11 ARG A 121 7.985 3.514 -15.924 1.00 13.21 H new ATOM 0 HH12 ARG A 121 6.360 3.418 -16.611 1.00 13.21 H new ATOM 0 HH21 ARG A 121 7.146 5.370 -19.441 1.00 53.32 H new ATOM 0 HH22 ARG A 121 5.887 4.464 -18.594 1.00 53.32 H new ATOM 1974 N TYR A 122 11.502 6.342 -12.769 1.00 32.24 N ATOM 1975 CA TYR A 122 11.410 6.701 -11.358 1.00 11.21 C ATOM 1976 C TYR A 122 12.529 6.044 -10.555 1.00 70.14 C ATOM 1977 O TYR A 122 12.669 4.821 -10.522 1.00 61.03 O ATOM 1978 CB TYR A 122 10.050 6.288 -10.792 1.00 44.42 C ATOM 1979 CG TYR A 122 8.885 6.667 -11.678 1.00 52.44 C ATOM 1980 CD1 TYR A 122 8.520 5.870 -12.756 1.00 34.33 C ATOM 1981 CD2 TYR A 122 8.151 7.822 -11.439 1.00 40.11 C ATOM 1982 CE1 TYR A 122 7.457 6.212 -13.569 1.00 53.12 C ATOM 1983 CE2 TYR A 122 7.085 8.171 -12.246 1.00 5.11 C ATOM 1984 CZ TYR A 122 6.742 7.363 -13.309 1.00 22.11 C ATOM 1985 OH TYR A 122 5.682 7.708 -14.116 1.00 44.32 O ATOM 0 H TYR A 122 11.045 5.463 -13.011 1.00 32.24 H new ATOM 0 HA TYR A 122 11.516 7.783 -11.277 1.00 11.21 H new ATOM 0 HB2 TYR A 122 10.042 5.209 -10.638 1.00 44.42 H new ATOM 0 HB3 TYR A 122 9.917 6.750 -9.814 1.00 44.42 H new ATOM 0 HD1 TYR A 122 9.077 4.968 -12.962 1.00 34.33 H new ATOM 0 HD2 TYR A 122 8.418 8.458 -10.608 1.00 40.11 H new ATOM 0 HE1 TYR A 122 7.187 5.582 -14.404 1.00 53.12 H new ATOM 0 HE2 TYR A 122 6.524 9.072 -12.045 1.00 5.11 H new ATOM 0 HH TYR A 122 5.286 8.545 -13.796 1.00 44.32 H new ATOM 1995 N PRO A 123 13.345 6.875 -9.891 1.00 12.15 N ATOM 1996 CA PRO A 123 14.465 6.399 -9.073 1.00 23.41 C ATOM 1997 C PRO A 123 13.999 5.687 -7.808 1.00 72.33 C ATOM 1998 O PRO A 123 14.429 4.572 -7.516 1.00 65.44 O ATOM 1999 CB PRO A 123 15.216 7.684 -8.718 1.00 0.54 C ATOM 2000 CG PRO A 123 14.186 8.758 -8.795 1.00 3.20 C ATOM 2001 CD PRO A 123 13.237 8.344 -9.884 1.00 23.41 C ATOM 0 HA PRO A 123 15.073 5.666 -9.603 1.00 23.41 H new ATOM 0 HB2 PRO A 123 15.653 7.625 -7.721 1.00 0.54 H new ATOM 0 HB3 PRO A 123 16.034 7.869 -9.414 1.00 0.54 H new ATOM 0 HG2 PRO A 123 13.665 8.868 -7.844 1.00 3.20 H new ATOM 0 HG3 PRO A 123 14.643 9.721 -9.021 1.00 3.20 H new ATOM 0 HD2 PRO A 123 12.218 8.671 -9.675 1.00 23.41 H new ATOM 0 HD3 PRO A 123 13.518 8.772 -10.846 1.00 23.41 H new ATOM 2009 N VAL A 124 13.114 6.339 -7.060 1.00 53.41 N ATOM 2010 CA VAL A 124 12.587 5.767 -5.826 1.00 1.22 C ATOM 2011 C VAL A 124 11.155 5.284 -6.012 1.00 75.45 C ATOM 2012 O VAL A 124 10.455 5.717 -6.929 1.00 12.10 O ATOM 2013 CB VAL A 124 12.627 6.788 -4.673 1.00 24.11 C ATOM 2014 CG1 VAL A 124 11.364 7.635 -4.665 1.00 72.03 C ATOM 2015 CG2 VAL A 124 12.811 6.078 -3.340 1.00 2.22 C ATOM 0 H VAL A 124 12.747 7.263 -7.287 1.00 53.41 H new ATOM 0 HA VAL A 124 13.223 4.919 -5.573 1.00 1.22 H new ATOM 0 HB VAL A 124 13.479 7.451 -4.827 1.00 24.11 H new ATOM 0 HG11 VAL A 124 11.411 8.350 -3.844 1.00 72.03 H new ATOM 0 HG12 VAL A 124 11.280 8.172 -5.610 1.00 72.03 H new ATOM 0 HG13 VAL A 124 10.495 6.990 -4.536 1.00 72.03 H new ATOM 0 HG21 VAL A 124 12.837 6.814 -2.536 1.00 2.22 H new ATOM 0 HG22 VAL A 124 11.981 5.391 -3.176 1.00 2.22 H new ATOM 0 HG23 VAL A 124 13.747 5.520 -3.351 1.00 2.22 H new ATOM 2025 N VAL A 125 10.721 4.381 -5.137 1.00 42.43 N ATOM 2026 CA VAL A 125 9.370 3.839 -5.205 1.00 33.44 C ATOM 2027 C VAL A 125 8.839 3.512 -3.813 1.00 11.15 C ATOM 2028 O VAL A 125 9.596 3.236 -2.882 1.00 52.51 O ATOM 2029 CB VAL A 125 9.317 2.569 -6.073 1.00 65.44 C ATOM 2030 CG1 VAL A 125 9.600 2.905 -7.530 1.00 33.32 C ATOM 2031 CG2 VAL A 125 10.301 1.529 -5.557 1.00 1.43 C ATOM 0 H VAL A 125 11.286 4.010 -4.373 1.00 42.43 H new ATOM 0 HA VAL A 125 8.744 4.607 -5.660 1.00 33.44 H new ATOM 0 HB VAL A 125 8.313 2.149 -6.010 1.00 65.44 H new ATOM 0 HG11 VAL A 125 9.558 1.995 -8.128 1.00 33.32 H new ATOM 0 HG12 VAL A 125 8.853 3.612 -7.892 1.00 33.32 H new ATOM 0 HG13 VAL A 125 10.592 3.350 -7.615 1.00 33.32 H new ATOM 0 HG21 VAL A 125 10.250 0.638 -6.183 1.00 1.43 H new ATOM 0 HG22 VAL A 125 11.311 1.937 -5.588 1.00 1.43 H new ATOM 0 HG23 VAL A 125 10.047 1.266 -4.530 1.00 1.43 H new ATOM 2041 N PRO A 126 7.506 3.543 -3.666 1.00 13.12 N ATOM 2042 CA PRO A 126 6.844 3.252 -2.391 1.00 22.32 C ATOM 2043 C PRO A 126 6.950 1.780 -2.005 1.00 42.51 C ATOM 2044 O PRO A 126 6.651 0.895 -2.806 1.00 30.41 O ATOM 2045 CB PRO A 126 5.384 3.631 -2.655 1.00 61.21 C ATOM 2046 CG PRO A 126 5.217 3.491 -4.128 1.00 70.05 C ATOM 2047 CD PRO A 126 6.543 3.865 -4.733 1.00 24.25 C ATOM 0 HA PRO A 126 7.298 3.797 -1.563 1.00 22.32 H new ATOM 0 HB2 PRO A 126 4.701 2.975 -2.115 1.00 61.21 H new ATOM 0 HB3 PRO A 126 5.174 4.649 -2.328 1.00 61.21 H new ATOM 0 HG2 PRO A 126 4.941 2.471 -4.394 1.00 70.05 H new ATOM 0 HG3 PRO A 126 4.423 4.142 -4.494 1.00 70.05 H new ATOM 0 HD2 PRO A 126 6.745 3.298 -5.642 1.00 24.25 H new ATOM 0 HD3 PRO A 126 6.579 4.921 -5.002 1.00 24.25 H new ATOM 2055 N VAL A 127 7.379 1.526 -0.772 1.00 62.23 N ATOM 2056 CA VAL A 127 7.524 0.161 -0.280 1.00 51.33 C ATOM 2057 C VAL A 127 6.940 0.018 1.121 1.00 71.21 C ATOM 2058 O VAL A 127 7.159 -0.988 1.796 1.00 4.23 O ATOM 2059 CB VAL A 127 9.002 -0.272 -0.255 1.00 1.14 C ATOM 2060 CG1 VAL A 127 9.543 -0.406 -1.670 1.00 4.25 C ATOM 2061 CG2 VAL A 127 9.833 0.714 0.552 1.00 54.12 C ATOM 0 H VAL A 127 7.632 2.247 -0.096 1.00 62.23 H new ATOM 0 HA VAL A 127 6.976 -0.484 -0.967 1.00 51.33 H new ATOM 0 HB VAL A 127 9.069 -1.247 0.227 1.00 1.14 H new ATOM 0 HG11 VAL A 127 10.588 -0.713 -1.632 1.00 4.25 H new ATOM 0 HG12 VAL A 127 8.965 -1.155 -2.211 1.00 4.25 H new ATOM 0 HG13 VAL A 127 9.464 0.553 -2.182 1.00 4.25 H new ATOM 0 HG21 VAL A 127 10.874 0.392 0.559 1.00 54.12 H new ATOM 0 HG22 VAL A 127 9.762 1.704 0.101 1.00 54.12 H new ATOM 0 HG23 VAL A 127 9.459 0.753 1.575 1.00 54.12 H new ATOM 2071 N HIS A 128 6.192 1.030 1.551 1.00 25.40 N ATOM 2072 CA HIS A 128 5.574 1.016 2.872 1.00 42.30 C ATOM 2073 C HIS A 128 4.502 2.096 2.981 1.00 4.42 C ATOM 2074 O HIS A 128 4.723 3.245 2.596 1.00 34.25 O ATOM 2075 CB HIS A 128 6.633 1.221 3.956 1.00 62.33 C ATOM 2076 CG HIS A 128 6.060 1.549 5.300 1.00 73.43 C ATOM 2077 ND1 HIS A 128 5.351 2.623 5.721 1.00 22.14 N flip ATOM 2078 CD2 HIS A 128 6.188 0.723 6.395 1.00 62.21 C flip ATOM 2079 CE1 HIS A 128 5.067 2.427 7.051 1.00 54.21 C flip ATOM 2080 NE2 HIS A 128 5.583 1.273 7.433 1.00 70.33 N flip ATOM 0 H HIS A 128 6.000 1.869 1.004 1.00 25.40 H new ATOM 0 HA HIS A 128 5.102 0.044 3.015 1.00 42.30 H new ATOM 0 HB2 HIS A 128 7.236 0.317 4.038 1.00 62.33 H new ATOM 0 HB3 HIS A 128 7.303 2.024 3.650 1.00 62.33 H new ATOM 0 HD2 HIS A 128 6.703 -0.226 6.404 1.00 62.21 H new ATOM 0 HE1 HIS A 128 4.512 3.106 7.681 1.00 54.21 H new ATOM 0 HE2 HIS A 128 5.524 0.874 8.370 1.00 70.33 H new ATOM 2089 N LEU A 129 3.342 1.719 3.507 1.00 23.20 N ATOM 2090 CA LEU A 129 2.235 2.655 3.666 1.00 53.40 C ATOM 2091 C LEU A 129 1.929 2.891 5.142 1.00 24.21 C ATOM 2092 O LEU A 129 1.293 2.063 5.795 1.00 62.42 O ATOM 2093 CB LEU A 129 0.988 2.128 2.953 1.00 2.34 C ATOM 2094 CG LEU A 129 -0.012 3.183 2.480 1.00 1.51 C ATOM 2095 CD1 LEU A 129 0.716 4.384 1.897 1.00 53.33 C ATOM 2096 CD2 LEU A 129 -0.970 2.589 1.459 1.00 55.33 C ATOM 0 H LEU A 129 3.144 0.772 3.830 1.00 23.20 H new ATOM 0 HA LEU A 129 2.528 3.605 3.218 1.00 53.40 H new ATOM 0 HB2 LEU A 129 1.307 1.546 2.089 1.00 2.34 H new ATOM 0 HB3 LEU A 129 0.472 1.443 3.626 1.00 2.34 H new ATOM 0 HG LEU A 129 -0.592 3.519 3.340 1.00 1.51 H new ATOM 0 HD11 LEU A 129 -0.012 5.125 1.565 1.00 53.33 H new ATOM 0 HD12 LEU A 129 1.360 4.824 2.658 1.00 53.33 H new ATOM 0 HD13 LEU A 129 1.322 4.066 1.049 1.00 53.33 H new ATOM 0 HD21 LEU A 129 -1.675 3.354 1.133 1.00 55.33 H new ATOM 0 HD22 LEU A 129 -0.406 2.225 0.600 1.00 55.33 H new ATOM 0 HD23 LEU A 129 -1.516 1.761 1.911 1.00 55.33 H new ATOM 2108 N ASP A 130 2.384 4.026 5.661 1.00 30.25 N ATOM 2109 CA ASP A 130 2.157 4.373 7.059 1.00 3.13 C ATOM 2110 C ASP A 130 0.665 4.453 7.364 1.00 34.30 C ATOM 2111 O ASP A 130 0.156 3.740 8.231 1.00 41.53 O ATOM 2112 CB ASP A 130 2.831 5.704 7.393 1.00 14.42 C ATOM 2113 CG ASP A 130 3.287 5.777 8.837 1.00 20.04 C ATOM 2114 OD1 ASP A 130 2.444 6.068 9.712 1.00 75.44 O ATOM 2115 OD2 ASP A 130 4.486 5.542 9.093 1.00 10.32 O ATOM 0 H ASP A 130 2.912 4.722 5.134 1.00 30.25 H new ATOM 0 HA ASP A 130 2.594 3.589 7.677 1.00 3.13 H new ATOM 0 HB2 ASP A 130 3.689 5.848 6.737 1.00 14.42 H new ATOM 0 HB3 ASP A 130 2.136 6.520 7.193 1.00 14.42 H new ATOM 2120 N THR A 131 -0.035 5.327 6.645 1.00 2.13 N ATOM 2121 CA THR A 131 -1.468 5.502 6.840 1.00 52.41 C ATOM 2122 C THR A 131 -2.063 6.399 5.760 1.00 52.15 C ATOM 2123 O THR A 131 -1.357 6.861 4.863 1.00 54.13 O ATOM 2124 CB THR A 131 -1.778 6.108 8.222 1.00 44.13 C ATOM 2125 OG1 THR A 131 -3.176 6.397 8.328 1.00 30.35 O ATOM 2126 CG2 THR A 131 -0.974 7.380 8.447 1.00 35.05 C ATOM 0 H THR A 131 0.368 5.924 5.923 1.00 2.13 H new ATOM 0 HA THR A 131 -1.919 4.512 6.777 1.00 52.41 H new ATOM 0 HB THR A 131 -1.499 5.380 8.984 1.00 44.13 H new ATOM 0 HG1 THR A 131 -3.365 6.780 9.210 1.00 30.35 H new ATOM 0 HG21 THR A 131 -1.209 7.790 9.429 1.00 35.05 H new ATOM 0 HG22 THR A 131 0.091 7.152 8.395 1.00 35.05 H new ATOM 0 HG23 THR A 131 -1.227 8.111 7.679 1.00 35.05 H new ATOM 2134 N THR A 132 -3.367 6.643 5.852 1.00 32.20 N ATOM 2135 CA THR A 132 -4.057 7.484 4.883 1.00 50.21 C ATOM 2136 C THR A 132 -4.797 8.626 5.573 1.00 44.20 C ATOM 2137 O THR A 132 -5.776 8.403 6.284 1.00 32.31 O ATOM 2138 CB THR A 132 -5.062 6.670 4.046 1.00 61.15 C ATOM 2139 OG1 THR A 132 -5.903 5.896 4.908 1.00 32.45 O ATOM 2140 CG2 THR A 132 -4.336 5.749 3.077 1.00 74.14 C ATOM 0 H THR A 132 -3.966 6.270 6.588 1.00 32.20 H new ATOM 0 HA THR A 132 -3.293 7.895 4.223 1.00 50.21 H new ATOM 0 HB THR A 132 -5.673 7.367 3.472 1.00 61.15 H new ATOM 0 HG1 THR A 132 -6.181 6.444 5.671 1.00 32.45 H new ATOM 0 HG21 THR A 132 -5.065 5.184 2.496 1.00 74.14 H new ATOM 0 HG22 THR A 132 -3.718 6.343 2.404 1.00 74.14 H new ATOM 0 HG23 THR A 132 -3.704 5.059 3.636 1.00 74.14 H new ATOM 2148 N ILE A 133 -4.321 9.848 5.357 1.00 13.23 N ATOM 2149 CA ILE A 133 -4.939 11.024 5.958 1.00 73.44 C ATOM 2150 C ILE A 133 -5.218 12.094 4.908 1.00 41.42 C ATOM 2151 O ILE A 133 -5.975 13.034 5.149 1.00 35.13 O ATOM 2152 CB ILE A 133 -4.050 11.623 7.063 1.00 14.11 C ATOM 2153 CG1 ILE A 133 -4.129 10.769 8.330 1.00 14.42 C ATOM 2154 CG2 ILE A 133 -4.467 13.056 7.358 1.00 53.44 C ATOM 2155 CD1 ILE A 133 -5.270 11.151 9.246 1.00 20.21 C ATOM 0 H ILE A 133 -3.511 10.049 4.771 1.00 13.23 H new ATOM 0 HA ILE A 133 -5.881 10.697 6.399 1.00 73.44 H new ATOM 0 HB ILE A 133 -3.017 11.629 6.715 1.00 14.11 H new ATOM 0 HG12 ILE A 133 -4.236 9.722 8.047 1.00 14.42 H new ATOM 0 HG13 ILE A 133 -3.190 10.857 8.877 1.00 14.42 H new ATOM 0 HG21 ILE A 133 -3.830 13.466 8.141 1.00 53.44 H new ATOM 0 HG22 ILE A 133 -4.365 13.658 6.455 1.00 53.44 H new ATOM 0 HG23 ILE A 133 -5.505 13.072 7.690 1.00 53.44 H new ATOM 0 HD11 ILE A 133 -5.265 10.504 10.123 1.00 20.21 H new ATOM 0 HD12 ILE A 133 -5.153 12.188 9.559 1.00 20.21 H new ATOM 0 HD13 ILE A 133 -6.216 11.036 8.716 1.00 20.21 H new