USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1073 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 47 THR OG1 : rot 99:sc= 0.0922 USER MOD Set 1.2: A 50 ASN :FLIP amide:sc= 0.086 F(o=-0.73,f=0.18) USER MOD Set 2.1: A 27 MET CE :methyl -162:sc= -3.49 (180deg=-2.34) USER MOD Set 2.2: A 31 ASN : amide:sc= -8.9! C(o=-12!,f=-23!) USER MOD Set 2.3: A 98 TYR OH : rot -7:sc= 0.177 USER MOD Single : A 1 ARG N :NH3+ -133:sc= -2.68! (180deg=-7.5!) USER MOD Single : A 4 GLN : amide:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : A 6 THR OG1 : rot -97:sc= 0.756 USER MOD Single : A 9 GLN :FLIP amide:sc= -2.33! C(o=-2.9!,f=-2.3!) USER MOD Single : A 14 GLN : amide:sc= 0.173 X(o=0.17,f=-0.057) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -0.0464 F(o=-0.96,f=-0.046) USER MOD Single : A 17 SER OG : rot -8:sc= 0.295 USER MOD Single : A 19 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 33 TYR OH : rot -30:sc= -1.26 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 40 GLN : amide:sc= -0.0478 K(o=-0.048,f=-0.81) USER MOD Single : A 41 ASN : amide:sc= -9.83! C(o=-9.8!,f=-17!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 53 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.077) USER MOD Single : A 57 ASN : amide:sc= -4.78! C(o=-4.8!,f=-11!) USER MOD Single : A 58 GLN : amide:sc= -0.715 X(o=-0.72,f=-0.58) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-2.6!) USER MOD Single : A 65 ASN : amide:sc= -4.14! C(o=-4.1!,f=-3.8!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= 0.334 F(o=-0.52,f=0.33) USER MOD Single : A 70 ASN : amide:sc= -5.6! C(o=-5.6!,f=-9.5!) USER MOD Single : A 72 HIS : no HE2:sc= -7.82! C(o=-7.8!,f=-7.3!) USER MOD Single : A 74 SER OG : rot 117:sc= -1.56 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -9.45! C(o=-9.5!,f=-11!) USER MOD Single : A 91 GLN : amide:sc= -2.97! C(o=-3!,f=-2.9!) USER MOD Single : A 92 ASN : amide:sc= -2.32! C(o=-2.3!,f=-7.7!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.117 K(o=-0.12,f=-3.3!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 119 SER OG : rot 140:sc= -1.08 USER MOD Single : A 122 TYR OH : rot 180:sc= -0.4 USER MOD Single : A 128 HIS :FLIP no HD1:sc= -2.16! C(o=-3.4!,f=-2.2!) USER MOD Single : A 131 THR OG1 : rot 67:sc= -0.172! USER MOD Single : A 132 THR OG1 : rot 49:sc= 0.00572 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 7.416 -8.900 -3.916 1.00 33.35 N ATOM 2 CA ARG A 1 8.060 -9.845 -3.012 1.00 45.55 C ATOM 3 C ARG A 1 8.381 -11.152 -3.730 1.00 61.30 C ATOM 4 O ARG A 1 9.511 -11.642 -3.707 1.00 53.32 O ATOM 5 CB ARG A 1 7.164 -10.120 -1.803 1.00 44.32 C ATOM 6 CG ARG A 1 7.932 -10.286 -0.501 1.00 62.35 C ATOM 7 CD ARG A 1 8.183 -8.946 0.172 1.00 50.32 C ATOM 8 NE ARG A 1 9.284 -9.011 1.127 1.00 23.05 N ATOM 9 CZ ARG A 1 9.470 -8.122 2.098 1.00 33.54 C ATOM 10 NH1 ARG A 1 8.629 -7.107 2.240 1.00 25.01 N ATOM 11 NH2 ARG A 1 10.496 -8.250 2.929 1.00 72.51 N ATOM 0 H1 ARG A 1 7.867 -7.967 -3.822 1.00 33.35 H new ATOM 0 H2 ARG A 1 7.514 -9.235 -4.896 1.00 33.35 H new ATOM 0 H3 ARG A 1 6.407 -8.823 -3.676 1.00 33.35 H new ATOM 0 HA ARG A 1 8.994 -9.401 -2.668 1.00 45.55 H new ATOM 0 HB2 ARG A 1 6.454 -9.301 -1.694 1.00 44.32 H new ATOM 0 HB3 ARG A 1 6.583 -11.023 -1.990 1.00 44.32 H new ATOM 0 HG2 ARG A 1 7.372 -10.934 0.173 1.00 62.35 H new ATOM 0 HG3 ARG A 1 8.884 -10.779 -0.699 1.00 62.35 H new ATOM 0 HD2 ARG A 1 8.405 -8.195 -0.587 1.00 50.32 H new ATOM 0 HD3 ARG A 1 7.277 -8.623 0.685 1.00 50.32 H new ATOM 0 HE ARG A 1 9.948 -9.781 1.045 1.00 23.05 H new ATOM 0 HH11 ARG A 1 7.838 -7.007 1.604 1.00 25.01 H new ATOM 0 HH12 ARG A 1 8.773 -6.426 2.985 1.00 25.01 H new ATOM 0 HH21 ARG A 1 11.143 -9.031 2.823 1.00 72.51 H new ATOM 0 HH22 ARG A 1 10.638 -7.567 3.673 1.00 72.51 H new ATOM 25 N PRO A 2 7.364 -11.733 -4.384 1.00 53.24 N ATOM 26 CA PRO A 2 7.512 -12.992 -5.121 1.00 43.23 C ATOM 27 C PRO A 2 8.358 -12.830 -6.380 1.00 2.23 C ATOM 28 O PRO A 2 8.681 -11.719 -6.802 1.00 30.15 O ATOM 29 CB PRO A 2 6.072 -13.359 -5.488 1.00 22.14 C ATOM 30 CG PRO A 2 5.343 -12.061 -5.508 1.00 12.42 C ATOM 31 CD PRO A 2 5.991 -11.205 -4.454 1.00 64.22 C ATOM 0 HA PRO A 2 8.023 -13.753 -4.531 1.00 43.23 H new ATOM 0 HB2 PRO A 2 6.025 -13.854 -6.458 1.00 22.14 H new ATOM 0 HB3 PRO A 2 5.640 -14.044 -4.759 1.00 22.14 H new ATOM 0 HG2 PRO A 2 5.411 -11.590 -6.489 1.00 12.42 H new ATOM 0 HG3 PRO A 2 4.284 -12.205 -5.296 1.00 12.42 H new ATOM 0 HD2 PRO A 2 5.979 -10.150 -4.729 1.00 64.22 H new ATOM 0 HD3 PRO A 2 5.478 -11.290 -3.496 1.00 64.22 H new ATOM 39 N PRO A 3 8.725 -13.963 -6.996 1.00 42.31 N ATOM 40 CA PRO A 3 9.538 -13.972 -8.217 1.00 1.12 C ATOM 41 C PRO A 3 8.773 -13.447 -9.426 1.00 20.22 C ATOM 42 O PRO A 3 9.306 -13.395 -10.534 1.00 65.12 O ATOM 43 CB PRO A 3 9.882 -15.452 -8.403 1.00 34.44 C ATOM 44 CG PRO A 3 8.784 -16.185 -7.711 1.00 4.03 C ATOM 45 CD PRO A 3 8.377 -15.321 -6.550 1.00 33.54 C ATOM 0 HA PRO A 3 10.411 -13.325 -8.130 1.00 1.12 H new ATOM 0 HB2 PRO A 3 9.931 -15.717 -9.459 1.00 34.44 H new ATOM 0 HB3 PRO A 3 10.853 -15.691 -7.969 1.00 34.44 H new ATOM 0 HG2 PRO A 3 7.944 -16.355 -8.384 1.00 4.03 H new ATOM 0 HG3 PRO A 3 9.122 -17.163 -7.370 1.00 4.03 H new ATOM 0 HD2 PRO A 3 7.312 -15.413 -6.335 1.00 33.54 H new ATOM 0 HD3 PRO A 3 8.911 -15.594 -5.640 1.00 33.54 H new ATOM 53 N GLN A 4 7.521 -13.058 -9.206 1.00 33.52 N ATOM 54 CA GLN A 4 6.683 -12.538 -10.279 1.00 41.12 C ATOM 55 C GLN A 4 6.720 -11.013 -10.308 1.00 31.32 C ATOM 56 O GLN A 4 6.710 -10.402 -11.376 1.00 51.32 O ATOM 57 CB GLN A 4 5.242 -13.022 -10.111 1.00 0.14 C ATOM 58 CG GLN A 4 5.047 -14.488 -10.464 1.00 43.00 C ATOM 59 CD GLN A 4 3.640 -14.975 -10.180 1.00 52.11 C ATOM 60 OE1 GLN A 4 2.947 -15.462 -11.073 1.00 42.44 O ATOM 61 NE2 GLN A 4 3.210 -14.846 -8.931 1.00 22.25 N ATOM 0 H GLN A 4 7.065 -13.093 -8.294 1.00 33.52 H new ATOM 0 HA GLN A 4 7.075 -12.911 -11.225 1.00 41.12 H new ATOM 0 HB2 GLN A 4 4.932 -12.861 -9.079 1.00 0.14 H new ATOM 0 HB3 GLN A 4 4.589 -12.416 -10.738 1.00 0.14 H new ATOM 0 HG2 GLN A 4 5.272 -14.636 -11.520 1.00 43.00 H new ATOM 0 HG3 GLN A 4 5.757 -15.091 -9.899 1.00 43.00 H new ATOM 0 HE21 GLN A 4 3.818 -14.436 -8.222 1.00 22.25 H new ATOM 0 HE22 GLN A 4 2.271 -15.156 -8.680 1.00 22.25 H new ATOM 70 N PHE A 5 6.760 -10.405 -9.127 1.00 30.12 N ATOM 71 CA PHE A 5 6.797 -8.952 -9.016 1.00 63.21 C ATOM 72 C PHE A 5 7.921 -8.505 -8.086 1.00 22.55 C ATOM 73 O PHE A 5 8.626 -9.331 -7.502 1.00 54.02 O ATOM 74 CB PHE A 5 5.456 -8.424 -8.504 1.00 75.10 C ATOM 75 CG PHE A 5 4.280 -9.252 -8.939 1.00 24.41 C ATOM 76 CD1 PHE A 5 3.841 -9.220 -10.253 1.00 23.35 C ATOM 77 CD2 PHE A 5 3.614 -10.063 -8.033 1.00 61.53 C ATOM 78 CE1 PHE A 5 2.760 -9.980 -10.655 1.00 22.11 C ATOM 79 CE2 PHE A 5 2.532 -10.827 -8.431 1.00 54.44 C ATOM 80 CZ PHE A 5 2.105 -10.785 -9.744 1.00 1.45 C ATOM 0 H PHE A 5 6.768 -10.896 -8.233 1.00 30.12 H new ATOM 0 HA PHE A 5 6.986 -8.542 -10.008 1.00 63.21 H new ATOM 0 HB2 PHE A 5 5.481 -8.387 -7.415 1.00 75.10 H new ATOM 0 HB3 PHE A 5 5.320 -7.401 -8.855 1.00 75.10 H new ATOM 0 HD1 PHE A 5 4.350 -8.594 -10.971 1.00 23.35 H new ATOM 0 HD2 PHE A 5 3.944 -10.099 -7.005 1.00 61.53 H new ATOM 0 HE1 PHE A 5 2.427 -9.945 -11.682 1.00 22.11 H new ATOM 0 HE2 PHE A 5 2.022 -11.456 -7.716 1.00 54.44 H new ATOM 0 HZ PHE A 5 1.260 -11.381 -10.058 1.00 1.45 H new ATOM 90 N THR A 6 8.083 -7.192 -7.950 1.00 21.40 N ATOM 91 CA THR A 6 9.121 -6.635 -7.093 1.00 24.14 C ATOM 92 C THR A 6 8.519 -5.984 -5.853 1.00 50.51 C ATOM 93 O THR A 6 7.356 -5.578 -5.856 1.00 62.32 O ATOM 94 CB THR A 6 9.971 -5.594 -7.844 1.00 62.05 C ATOM 95 OG1 THR A 6 9.186 -4.962 -8.862 1.00 33.02 O ATOM 96 CG2 THR A 6 11.195 -6.245 -8.472 1.00 72.33 C ATOM 0 H THR A 6 7.508 -6.495 -8.423 1.00 21.40 H new ATOM 0 HA THR A 6 9.760 -7.465 -6.791 1.00 24.14 H new ATOM 0 HB THR A 6 10.305 -4.845 -7.126 1.00 62.05 H new ATOM 0 HG1 THR A 6 9.360 -5.394 -9.724 1.00 33.02 H new ATOM 0 HG21 THR A 6 11.780 -5.490 -8.997 1.00 72.33 H new ATOM 0 HG22 THR A 6 11.806 -6.700 -7.692 1.00 72.33 H new ATOM 0 HG23 THR A 6 10.877 -7.013 -9.177 1.00 72.33 H new ATOM 104 N ARG A 7 9.317 -5.886 -4.795 1.00 44.11 N ATOM 105 CA ARG A 7 8.862 -5.284 -3.548 1.00 53.22 C ATOM 106 C ARG A 7 8.254 -3.907 -3.800 1.00 2.43 C ATOM 107 O ARG A 7 7.517 -3.381 -2.966 1.00 30.11 O ATOM 108 CB ARG A 7 10.024 -5.167 -2.560 1.00 20.15 C ATOM 109 CG ARG A 7 10.664 -6.501 -2.214 1.00 3.24 C ATOM 110 CD ARG A 7 12.130 -6.336 -1.846 1.00 23.05 C ATOM 111 NE ARG A 7 13.004 -6.447 -3.011 1.00 10.34 N ATOM 112 CZ ARG A 7 14.217 -5.910 -3.074 1.00 21.21 C ATOM 113 NH1 ARG A 7 14.699 -5.230 -2.043 1.00 14.42 N ATOM 114 NH2 ARG A 7 14.951 -6.054 -4.170 1.00 23.25 N ATOM 0 H ARG A 7 10.282 -6.216 -4.777 1.00 44.11 H new ATOM 0 HA ARG A 7 8.094 -5.929 -3.121 1.00 53.22 H new ATOM 0 HB2 ARG A 7 10.783 -4.508 -2.981 1.00 20.15 H new ATOM 0 HB3 ARG A 7 9.666 -4.697 -1.644 1.00 20.15 H new ATOM 0 HG2 ARG A 7 10.128 -6.958 -1.382 1.00 3.24 H new ATOM 0 HG3 ARG A 7 10.575 -7.180 -3.062 1.00 3.24 H new ATOM 0 HD2 ARG A 7 12.278 -5.365 -1.374 1.00 23.05 H new ATOM 0 HD3 ARG A 7 12.407 -7.093 -1.112 1.00 23.05 H new ATOM 0 HE ARG A 7 12.664 -6.966 -3.821 1.00 10.34 H new ATOM 0 HH11 ARG A 7 14.138 -5.118 -1.199 1.00 14.42 H new ATOM 0 HH12 ARG A 7 15.631 -4.819 -2.094 1.00 14.42 H new ATOM 0 HH21 ARG A 7 14.584 -6.577 -4.965 1.00 23.25 H new ATOM 0 HH22 ARG A 7 15.883 -5.641 -4.218 1.00 23.25 H new ATOM 128 N ALA A 8 8.570 -3.327 -4.953 1.00 24.44 N ATOM 129 CA ALA A 8 8.055 -2.012 -5.314 1.00 34.44 C ATOM 130 C ALA A 8 6.649 -2.115 -5.896 1.00 63.41 C ATOM 131 O ALA A 8 5.671 -1.739 -5.250 1.00 44.32 O ATOM 132 CB ALA A 8 8.990 -1.333 -6.304 1.00 21.13 C ATOM 0 H ALA A 8 9.181 -3.747 -5.654 1.00 24.44 H new ATOM 0 HA ALA A 8 8.002 -1.408 -4.408 1.00 34.44 H new ATOM 0 HB1 ALA A 8 8.593 -0.352 -6.565 1.00 21.13 H new ATOM 0 HB2 ALA A 8 9.976 -1.218 -5.853 1.00 21.13 H new ATOM 0 HB3 ALA A 8 9.072 -1.942 -7.204 1.00 21.13 H new ATOM 138 N GLN A 9 6.556 -2.626 -7.119 1.00 60.32 N ATOM 139 CA GLN A 9 5.269 -2.776 -7.788 1.00 52.14 C ATOM 140 C GLN A 9 4.330 -3.659 -6.971 1.00 64.15 C ATOM 141 O GLN A 9 3.111 -3.511 -7.035 1.00 53.14 O ATOM 142 CB GLN A 9 5.462 -3.370 -9.184 1.00 33.31 C ATOM 143 CG GLN A 9 5.767 -4.859 -9.174 1.00 61.23 C ATOM 144 CD GLN A 9 5.117 -5.596 -10.329 1.00 71.33 C ATOM 145 OE1 GLN A 9 3.887 -6.051 -10.123 1.00 65.45 O flip ATOM 146 NE2 GLN A 9 5.714 -5.755 -11.393 1.00 73.24 N flip ATOM 0 H GLN A 9 7.356 -2.943 -7.667 1.00 60.32 H new ATOM 0 HA GLN A 9 4.819 -1.788 -7.881 1.00 52.14 H new ATOM 0 HB2 GLN A 9 4.561 -3.196 -9.772 1.00 33.31 H new ATOM 0 HB3 GLN A 9 6.275 -2.844 -9.684 1.00 33.31 H new ATOM 0 HG2 GLN A 9 6.846 -5.005 -9.216 1.00 61.23 H new ATOM 0 HG3 GLN A 9 5.423 -5.290 -8.234 1.00 61.23 H new ATOM 0 HE21 GLN A 9 6.659 -5.388 -11.507 1.00 73.24 H new ATOM 0 HE22 GLN A 9 5.264 -6.254 -12.161 1.00 73.24 H new ATOM 155 N TRP A 10 4.908 -4.577 -6.206 1.00 5.11 N ATOM 156 CA TRP A 10 4.124 -5.485 -5.376 1.00 62.42 C ATOM 157 C TRP A 10 3.406 -4.725 -4.267 1.00 42.30 C ATOM 158 O TRP A 10 2.289 -5.073 -3.885 1.00 74.22 O ATOM 159 CB TRP A 10 5.024 -6.565 -4.774 1.00 13.44 C ATOM 160 CG TRP A 10 4.261 -7.718 -4.195 1.00 25.10 C ATOM 161 CD1 TRP A 10 4.419 -8.264 -2.953 1.00 14.24 C ATOM 162 CD2 TRP A 10 3.224 -8.468 -4.836 1.00 11.00 C ATOM 163 NE1 TRP A 10 3.542 -9.308 -2.784 1.00 2.22 N ATOM 164 CE2 TRP A 10 2.797 -9.453 -3.924 1.00 54.11 C ATOM 165 CE3 TRP A 10 2.612 -8.402 -6.091 1.00 13.32 C ATOM 166 CZ2 TRP A 10 1.788 -10.363 -4.229 1.00 21.10 C ATOM 167 CZ3 TRP A 10 1.611 -9.306 -6.392 1.00 44.34 C ATOM 168 CH2 TRP A 10 1.207 -10.275 -5.465 1.00 3.11 C ATOM 0 H TRP A 10 5.917 -4.713 -6.143 1.00 5.11 H new ATOM 0 HA TRP A 10 3.374 -5.960 -6.008 1.00 62.42 H new ATOM 0 HB2 TRP A 10 5.700 -6.936 -5.545 1.00 13.44 H new ATOM 0 HB3 TRP A 10 5.643 -6.120 -3.995 1.00 13.44 H new ATOM 0 HD1 TRP A 10 5.129 -7.925 -2.213 1.00 14.24 H new ATOM 0 HE1 TRP A 10 3.459 -9.882 -1.945 1.00 2.22 H new ATOM 0 HE3 TRP A 10 2.916 -7.658 -6.812 1.00 13.32 H new ATOM 0 HZ2 TRP A 10 1.475 -11.111 -3.516 1.00 21.10 H new ATOM 0 HZ3 TRP A 10 1.132 -9.265 -7.359 1.00 44.34 H new ATOM 0 HH2 TRP A 10 0.421 -10.967 -5.731 1.00 3.11 H new ATOM 179 N PHE A 11 4.055 -3.686 -3.752 1.00 40.41 N ATOM 180 CA PHE A 11 3.479 -2.877 -2.684 1.00 21.24 C ATOM 181 C PHE A 11 2.169 -2.237 -3.133 1.00 73.03 C ATOM 182 O PHE A 11 1.149 -2.339 -2.451 1.00 51.34 O ATOM 183 CB PHE A 11 4.466 -1.793 -2.247 1.00 22.13 C ATOM 184 CG PHE A 11 3.800 -0.545 -1.741 1.00 0.02 C ATOM 185 CD1 PHE A 11 3.365 0.430 -2.624 1.00 73.03 C ATOM 186 CD2 PHE A 11 3.609 -0.347 -0.383 1.00 25.41 C ATOM 187 CE1 PHE A 11 2.752 1.580 -2.161 1.00 65.45 C ATOM 188 CE2 PHE A 11 2.998 0.801 0.086 1.00 23.40 C ATOM 189 CZ PHE A 11 2.567 1.764 -0.805 1.00 2.34 C ATOM 0 H PHE A 11 4.980 -3.384 -4.057 1.00 40.41 H new ATOM 0 HA PHE A 11 3.272 -3.532 -1.838 1.00 21.24 H new ATOM 0 HB2 PHE A 11 5.111 -2.194 -1.465 1.00 22.13 H new ATOM 0 HB3 PHE A 11 5.108 -1.537 -3.089 1.00 22.13 H new ATOM 0 HD1 PHE A 11 3.506 0.290 -3.686 1.00 73.03 H new ATOM 0 HD2 PHE A 11 3.941 -1.099 0.318 1.00 25.41 H new ATOM 0 HE1 PHE A 11 2.418 2.333 -2.859 1.00 65.45 H new ATOM 0 HE2 PHE A 11 2.858 0.944 1.147 1.00 23.40 H new ATOM 0 HZ PHE A 11 2.086 2.660 -0.442 1.00 2.34 H new ATOM 199 N ALA A 12 2.205 -1.577 -4.286 1.00 50.43 N ATOM 200 CA ALA A 12 1.021 -0.921 -4.829 1.00 25.13 C ATOM 201 C ALA A 12 -0.025 -1.944 -5.257 1.00 74.54 C ATOM 202 O ALA A 12 -1.222 -1.655 -5.268 1.00 51.25 O ATOM 203 CB ALA A 12 1.403 -0.030 -6.002 1.00 12.31 C ATOM 0 H ALA A 12 3.041 -1.482 -4.862 1.00 50.43 H new ATOM 0 HA ALA A 12 0.586 -0.302 -4.044 1.00 25.13 H new ATOM 0 HB1 ALA A 12 0.510 0.453 -6.398 1.00 12.31 H new ATOM 0 HB2 ALA A 12 2.109 0.730 -5.667 1.00 12.31 H new ATOM 0 HB3 ALA A 12 1.864 -0.634 -6.783 1.00 12.31 H new ATOM 209 N ILE A 13 0.434 -3.140 -5.612 1.00 32.14 N ATOM 210 CA ILE A 13 -0.463 -4.205 -6.041 1.00 61.30 C ATOM 211 C ILE A 13 -1.553 -4.457 -5.005 1.00 35.11 C ATOM 212 O ILE A 13 -2.712 -4.682 -5.352 1.00 54.11 O ATOM 213 CB ILE A 13 0.302 -5.518 -6.295 1.00 11.42 C ATOM 214 CG1 ILE A 13 0.619 -5.670 -7.784 1.00 12.45 C ATOM 215 CG2 ILE A 13 -0.506 -6.707 -5.795 1.00 13.22 C ATOM 216 CD1 ILE A 13 -0.393 -6.506 -8.534 1.00 22.31 C ATOM 0 H ILE A 13 1.422 -3.395 -5.611 1.00 32.14 H new ATOM 0 HA ILE A 13 -0.921 -3.875 -6.973 1.00 61.30 H new ATOM 0 HB ILE A 13 1.242 -5.486 -5.745 1.00 11.42 H new ATOM 0 HG12 ILE A 13 0.670 -4.681 -8.239 1.00 12.45 H new ATOM 0 HG13 ILE A 13 1.605 -6.123 -7.893 1.00 12.45 H new ATOM 0 HG21 ILE A 13 0.047 -7.627 -5.981 1.00 13.22 H new ATOM 0 HG22 ILE A 13 -0.685 -6.601 -4.725 1.00 13.22 H new ATOM 0 HG23 ILE A 13 -1.460 -6.745 -6.320 1.00 13.22 H new ATOM 0 HD11 ILE A 13 -0.105 -6.571 -9.583 1.00 22.31 H new ATOM 0 HD12 ILE A 13 -0.428 -7.507 -8.104 1.00 22.31 H new ATOM 0 HD13 ILE A 13 -1.377 -6.043 -8.456 1.00 22.31 H new ATOM 228 N GLN A 14 -1.173 -4.417 -3.732 1.00 14.22 N ATOM 229 CA GLN A 14 -2.120 -4.640 -2.645 1.00 44.44 C ATOM 230 C GLN A 14 -2.479 -3.326 -1.958 1.00 42.21 C ATOM 231 O GLN A 14 -3.584 -3.167 -1.438 1.00 63.22 O ATOM 232 CB GLN A 14 -1.536 -5.619 -1.626 1.00 20.41 C ATOM 233 CG GLN A 14 -0.438 -5.018 -0.764 1.00 13.11 C ATOM 234 CD GLN A 14 0.041 -5.967 0.318 1.00 70.14 C ATOM 235 OE1 GLN A 14 -0.297 -5.809 1.492 1.00 63.33 O ATOM 236 NE2 GLN A 14 0.832 -6.959 -0.073 1.00 34.14 N ATOM 0 H GLN A 14 -0.217 -4.232 -3.428 1.00 14.22 H new ATOM 0 HA GLN A 14 -3.029 -5.067 -3.069 1.00 44.44 H new ATOM 0 HB2 GLN A 14 -2.337 -5.979 -0.980 1.00 20.41 H new ATOM 0 HB3 GLN A 14 -1.138 -6.486 -2.154 1.00 20.41 H new ATOM 0 HG2 GLN A 14 0.405 -4.740 -1.397 1.00 13.11 H new ATOM 0 HG3 GLN A 14 -0.805 -4.102 -0.302 1.00 13.11 H new ATOM 0 HE21 GLN A 14 1.086 -7.051 -1.057 1.00 34.14 H new ATOM 0 HE22 GLN A 14 1.186 -7.629 0.610 1.00 34.14 H new ATOM 245 N HIS A 15 -1.538 -2.387 -1.959 1.00 22.11 N ATOM 246 CA HIS A 15 -1.756 -1.087 -1.336 1.00 44.40 C ATOM 247 C HIS A 15 -2.331 -0.093 -2.340 1.00 40.23 C ATOM 248 O HIS A 15 -2.686 1.031 -1.982 1.00 11.31 O ATOM 249 CB HIS A 15 -0.446 -0.548 -0.761 1.00 44.22 C ATOM 250 CG HIS A 15 0.001 -1.257 0.480 1.00 31.54 C ATOM 251 ND1 HIS A 15 1.107 -1.996 0.729 1.00 61.25 N flip ATOM 252 CD2 HIS A 15 -0.728 -1.255 1.652 1.00 2.13 C flip ATOM 253 CE1 HIS A 15 1.029 -2.421 2.032 1.00 63.34 C flip ATOM 254 NE2 HIS A 15 -0.088 -1.960 2.567 1.00 31.51 N flip ATOM 0 H HIS A 15 -0.618 -2.502 -2.384 1.00 22.11 H new ATOM 0 HA HIS A 15 -2.474 -1.215 -0.526 1.00 44.40 H new ATOM 0 HB2 HIS A 15 0.334 -0.631 -1.518 1.00 44.22 H new ATOM 0 HB3 HIS A 15 -0.565 0.513 -0.540 1.00 44.22 H new ATOM 0 HD1 HIS A 15 1.859 -2.199 0.071 1.00 61.25 H new ATOM 0 HD2 HIS A 15 -1.674 -0.755 1.798 1.00 2.13 H new ATOM 0 HE1 HIS A 15 1.761 -3.033 2.538 1.00 63.34 H new ATOM 263 N ILE A 16 -2.419 -0.512 -3.597 1.00 72.52 N ATOM 264 CA ILE A 16 -2.951 0.341 -4.652 1.00 22.10 C ATOM 265 C ILE A 16 -3.822 -0.456 -5.617 1.00 12.12 C ATOM 266 O ILE A 16 -3.439 -1.535 -6.069 1.00 55.35 O ATOM 267 CB ILE A 16 -1.823 1.027 -5.445 1.00 50.41 C ATOM 268 CG1 ILE A 16 -1.526 2.408 -4.858 1.00 11.43 C ATOM 269 CG2 ILE A 16 -2.200 1.140 -6.913 1.00 71.54 C ATOM 270 CD1 ILE A 16 -0.581 2.373 -3.676 1.00 34.12 C ATOM 0 H ILE A 16 -2.128 -1.438 -3.910 1.00 72.52 H new ATOM 0 HA ILE A 16 -3.557 1.104 -4.164 1.00 22.10 H new ATOM 0 HB ILE A 16 -0.922 0.418 -5.368 1.00 50.41 H new ATOM 0 HG12 ILE A 16 -1.098 3.040 -5.636 1.00 11.43 H new ATOM 0 HG13 ILE A 16 -2.463 2.872 -4.550 1.00 11.43 H new ATOM 0 HG21 ILE A 16 -1.392 1.627 -7.460 1.00 71.54 H new ATOM 0 HG22 ILE A 16 -2.367 0.144 -7.323 1.00 71.54 H new ATOM 0 HG23 ILE A 16 -3.111 1.730 -7.010 1.00 71.54 H new ATOM 0 HD11 ILE A 16 -0.416 3.387 -3.312 1.00 34.12 H new ATOM 0 HD12 ILE A 16 -1.016 1.768 -2.880 1.00 34.12 H new ATOM 0 HD13 ILE A 16 0.370 1.939 -3.983 1.00 34.12 H new ATOM 282 N SER A 17 -4.996 0.084 -5.930 1.00 34.23 N ATOM 283 CA SER A 17 -5.924 -0.578 -6.840 1.00 2.02 C ATOM 284 C SER A 17 -7.095 0.337 -7.182 1.00 31.11 C ATOM 285 O SER A 17 -7.987 0.557 -6.360 1.00 24.41 O ATOM 286 CB SER A 17 -6.441 -1.877 -6.220 1.00 23.33 C ATOM 287 OG SER A 17 -7.488 -1.622 -5.299 1.00 61.33 O ATOM 0 H SER A 17 -5.327 0.978 -5.567 1.00 34.23 H new ATOM 0 HA SER A 17 -5.387 -0.812 -7.760 1.00 2.02 H new ATOM 0 HB2 SER A 17 -6.798 -2.542 -7.006 1.00 23.33 H new ATOM 0 HB3 SER A 17 -5.625 -2.392 -5.714 1.00 23.33 H new ATOM 0 HG SER A 17 -7.573 -0.656 -5.160 1.00 61.33 H new ATOM 293 N LEU A 18 -7.088 0.869 -8.399 1.00 24.01 N ATOM 294 CA LEU A 18 -8.149 1.761 -8.851 1.00 72.41 C ATOM 295 C LEU A 18 -9.515 1.253 -8.403 1.00 34.13 C ATOM 296 O LEU A 18 -10.284 1.982 -7.776 1.00 62.30 O ATOM 297 CB LEU A 18 -8.117 1.893 -10.375 1.00 5.11 C ATOM 298 CG LEU A 18 -6.744 1.747 -11.032 1.00 54.33 C ATOM 299 CD1 LEU A 18 -6.812 2.134 -12.502 1.00 12.12 C ATOM 300 CD2 LEU A 18 -5.711 2.594 -10.303 1.00 10.20 C ATOM 0 H LEU A 18 -6.358 0.698 -9.091 1.00 24.01 H new ATOM 0 HA LEU A 18 -7.981 2.741 -8.404 1.00 72.41 H new ATOM 0 HB2 LEU A 18 -8.782 1.141 -10.799 1.00 5.11 H new ATOM 0 HB3 LEU A 18 -8.525 2.867 -10.644 1.00 5.11 H new ATOM 0 HG LEU A 18 -6.440 0.702 -10.966 1.00 54.33 H new ATOM 0 HD11 LEU A 18 -5.826 2.024 -12.953 1.00 12.12 H new ATOM 0 HD12 LEU A 18 -7.521 1.485 -13.017 1.00 12.12 H new ATOM 0 HD13 LEU A 18 -7.138 3.170 -12.591 1.00 12.12 H new ATOM 0 HD21 LEU A 18 -4.740 2.478 -10.784 1.00 10.20 H new ATOM 0 HD22 LEU A 18 -6.010 3.642 -10.337 1.00 10.20 H new ATOM 0 HD23 LEU A 18 -5.642 2.270 -9.265 1.00 10.20 H new ATOM 312 N ASN A 19 -9.810 -0.002 -8.725 1.00 71.42 N ATOM 313 CA ASN A 19 -11.083 -0.608 -8.354 1.00 11.01 C ATOM 314 C ASN A 19 -10.871 -1.778 -7.397 1.00 65.25 C ATOM 315 O ASN A 19 -10.761 -2.935 -7.806 1.00 51.33 O ATOM 316 CB ASN A 19 -11.829 -1.085 -9.601 1.00 43.34 C ATOM 317 CG ASN A 19 -12.450 0.061 -10.377 1.00 43.40 C ATOM 318 OD1 ASN A 19 -11.608 0.921 -10.938 1.00 5.12 O flip ATOM 319 ND2 ASN A 19 -13.673 0.172 -10.470 1.00 3.21 N flip ATOM 0 H ASN A 19 -9.184 -0.619 -9.242 1.00 71.42 H new ATOM 0 HA ASN A 19 -11.682 0.149 -7.848 1.00 11.01 H new ATOM 0 HB2 ASN A 19 -11.140 -1.627 -10.248 1.00 43.34 H new ATOM 0 HB3 ASN A 19 -12.610 -1.787 -9.308 1.00 43.34 H new ATOM 0 HD21 ASN A 19 -14.283 -0.512 -10.023 1.00 3.21 H new ATOM 0 HD22 ASN A 19 -14.076 0.948 -10.994 1.00 3.21 H new ATOM 326 N PRO A 20 -10.810 -1.472 -6.093 1.00 11.55 N ATOM 327 CA PRO A 20 -10.611 -2.485 -5.051 1.00 53.53 C ATOM 328 C PRO A 20 -11.826 -3.389 -4.883 1.00 22.43 C ATOM 329 O PRO A 20 -12.873 -2.979 -4.381 1.00 12.50 O ATOM 330 CB PRO A 20 -10.386 -1.651 -3.786 1.00 21.31 C ATOM 331 CG PRO A 20 -11.074 -0.358 -4.057 1.00 44.55 C ATOM 332 CD PRO A 20 -10.933 -0.115 -5.534 1.00 1.41 C ATOM 0 HA PRO A 20 -9.787 -3.158 -5.288 1.00 53.53 H new ATOM 0 HB2 PRO A 20 -10.802 -2.144 -2.908 1.00 21.31 H new ATOM 0 HB3 PRO A 20 -9.323 -1.501 -3.594 1.00 21.31 H new ATOM 0 HG2 PRO A 20 -12.124 -0.407 -3.768 1.00 44.55 H new ATOM 0 HG3 PRO A 20 -10.623 0.452 -3.484 1.00 44.55 H new ATOM 0 HD2 PRO A 20 -11.798 0.410 -5.939 1.00 1.41 H new ATOM 0 HD3 PRO A 20 -10.057 0.493 -5.759 1.00 1.41 H new ATOM 340 N PRO A 21 -11.687 -4.654 -5.312 1.00 10.40 N ATOM 341 CA PRO A 21 -12.764 -5.644 -5.218 1.00 11.22 C ATOM 342 C PRO A 21 -13.045 -6.059 -3.778 1.00 33.22 C ATOM 343 O PRO A 21 -12.654 -5.371 -2.836 1.00 13.34 O ATOM 344 CB PRO A 21 -12.225 -6.830 -6.021 1.00 35.51 C ATOM 345 CG PRO A 21 -10.744 -6.690 -5.956 1.00 64.43 C ATOM 346 CD PRO A 21 -10.468 -5.212 -5.920 1.00 35.44 C ATOM 0 HA PRO A 21 -13.711 -5.254 -5.591 1.00 11.22 H new ATOM 0 HB2 PRO A 21 -12.552 -7.778 -5.594 1.00 35.51 H new ATOM 0 HB3 PRO A 21 -12.580 -6.805 -7.051 1.00 35.51 H new ATOM 0 HG2 PRO A 21 -10.344 -7.183 -5.070 1.00 64.43 H new ATOM 0 HG3 PRO A 21 -10.270 -7.154 -6.821 1.00 64.43 H new ATOM 0 HD2 PRO A 21 -9.582 -4.983 -5.328 1.00 35.44 H new ATOM 0 HD3 PRO A 21 -10.297 -4.810 -6.919 1.00 35.44 H new ATOM 354 N ARG A 22 -13.726 -7.190 -3.616 1.00 1.20 N ATOM 355 CA ARG A 22 -14.060 -7.697 -2.290 1.00 73.15 C ATOM 356 C ARG A 22 -12.799 -8.059 -1.513 1.00 2.33 C ATOM 357 O ARG A 22 -12.105 -9.020 -1.847 1.00 21.20 O ATOM 358 CB ARG A 22 -14.972 -8.919 -2.403 1.00 65.53 C ATOM 359 CG ARG A 22 -16.390 -8.584 -2.832 1.00 75.31 C ATOM 360 CD ARG A 22 -17.281 -8.294 -1.634 1.00 44.11 C ATOM 361 NE ARG A 22 -18.640 -7.942 -2.036 1.00 13.35 N ATOM 362 CZ ARG A 22 -18.977 -6.754 -2.527 1.00 22.21 C ATOM 363 NH1 ARG A 22 -18.058 -5.811 -2.677 1.00 3.50 N ATOM 364 NH2 ARG A 22 -20.235 -6.508 -2.869 1.00 33.50 N ATOM 0 H ARG A 22 -14.057 -7.772 -4.386 1.00 1.20 H new ATOM 0 HA ARG A 22 -14.585 -6.910 -1.749 1.00 73.15 H new ATOM 0 HB2 ARG A 22 -14.541 -9.618 -3.119 1.00 65.53 H new ATOM 0 HB3 ARG A 22 -15.004 -9.428 -1.440 1.00 65.53 H new ATOM 0 HG2 ARG A 22 -16.376 -7.718 -3.494 1.00 75.31 H new ATOM 0 HG3 ARG A 22 -16.805 -9.415 -3.402 1.00 75.31 H new ATOM 0 HD2 ARG A 22 -17.310 -9.168 -0.984 1.00 44.11 H new ATOM 0 HD3 ARG A 22 -16.852 -7.478 -1.052 1.00 44.11 H new ATOM 0 HE ARG A 22 -19.371 -8.647 -1.934 1.00 13.35 H new ATOM 0 HH11 ARG A 22 -17.090 -5.996 -2.415 1.00 3.50 H new ATOM 0 HH12 ARG A 22 -18.319 -4.900 -3.054 1.00 3.50 H new ATOM 0 HH21 ARG A 22 -20.945 -7.231 -2.755 1.00 33.50 H new ATOM 0 HH22 ARG A 22 -20.492 -5.596 -3.246 1.00 33.50 H new ATOM 378 N CYS A 23 -12.506 -7.283 -0.474 1.00 32.22 N ATOM 379 CA CYS A 23 -11.328 -7.522 0.351 1.00 54.23 C ATOM 380 C CYS A 23 -11.095 -9.016 0.548 1.00 32.02 C ATOM 381 O CYS A 23 -9.966 -9.457 0.763 1.00 65.10 O ATOM 382 CB CYS A 23 -11.483 -6.834 1.709 1.00 15.01 C ATOM 383 SG CYS A 23 -11.997 -5.089 1.606 1.00 60.34 S ATOM 0 H CYS A 23 -13.069 -6.483 -0.184 1.00 32.22 H new ATOM 0 HA CYS A 23 -10.463 -7.103 -0.164 1.00 54.23 H new ATOM 0 HB2 CYS A 23 -12.216 -7.383 2.301 1.00 15.01 H new ATOM 0 HB3 CYS A 23 -10.535 -6.891 2.243 1.00 15.01 H new ATOM 388 N THR A 24 -12.172 -9.792 0.475 1.00 61.34 N ATOM 389 CA THR A 24 -12.085 -11.237 0.646 1.00 33.21 C ATOM 390 C THR A 24 -11.262 -11.875 -0.468 1.00 1.23 C ATOM 391 O THR A 24 -10.348 -12.657 -0.205 1.00 43.44 O ATOM 392 CB THR A 24 -13.483 -11.884 0.669 1.00 22.50 C ATOM 393 OG1 THR A 24 -14.077 -11.721 1.962 1.00 22.54 O ATOM 394 CG2 THR A 24 -13.401 -13.364 0.326 1.00 60.12 C ATOM 0 H THR A 24 -13.114 -9.444 0.299 1.00 61.34 H new ATOM 0 HA THR A 24 -11.594 -11.413 1.603 1.00 33.21 H new ATOM 0 HB THR A 24 -14.101 -11.388 -0.080 1.00 22.50 H new ATOM 0 HG1 THR A 24 -14.966 -12.133 1.968 1.00 22.54 H new ATOM 0 HG21 THR A 24 -14.400 -13.799 0.349 1.00 60.12 H new ATOM 0 HG22 THR A 24 -12.976 -13.484 -0.671 1.00 60.12 H new ATOM 0 HG23 THR A 24 -12.768 -13.872 1.054 1.00 60.12 H new ATOM 402 N ILE A 25 -11.591 -11.536 -1.710 1.00 12.24 N ATOM 403 CA ILE A 25 -10.879 -12.075 -2.861 1.00 71.14 C ATOM 404 C ILE A 25 -9.681 -11.204 -3.224 1.00 21.21 C ATOM 405 O ILE A 25 -8.611 -11.711 -3.558 1.00 0.22 O ATOM 406 CB ILE A 25 -11.803 -12.193 -4.089 1.00 4.11 C ATOM 407 CG1 ILE A 25 -13.212 -12.602 -3.655 1.00 40.21 C ATOM 408 CG2 ILE A 25 -11.236 -13.196 -5.082 1.00 74.33 C ATOM 409 CD1 ILE A 25 -14.220 -12.583 -4.783 1.00 52.23 C ATOM 0 H ILE A 25 -12.346 -10.891 -1.944 1.00 12.24 H new ATOM 0 HA ILE A 25 -10.531 -13.069 -2.580 1.00 71.14 H new ATOM 0 HB ILE A 25 -11.862 -11.221 -4.578 1.00 4.11 H new ATOM 0 HG12 ILE A 25 -13.176 -13.604 -3.228 1.00 40.21 H new ATOM 0 HG13 ILE A 25 -13.550 -11.931 -2.865 1.00 40.21 H new ATOM 0 HG21 ILE A 25 -11.899 -13.269 -5.944 1.00 74.33 H new ATOM 0 HG22 ILE A 25 -10.250 -12.866 -5.409 1.00 74.33 H new ATOM 0 HG23 ILE A 25 -11.152 -14.173 -4.605 1.00 74.33 H new ATOM 0 HD11 ILE A 25 -15.197 -12.884 -4.403 1.00 52.23 H new ATOM 0 HD12 ILE A 25 -14.285 -11.576 -5.196 1.00 52.23 H new ATOM 0 HD13 ILE A 25 -13.905 -13.275 -5.564 1.00 52.23 H new ATOM 421 N ALA A 26 -9.868 -9.890 -3.153 1.00 65.43 N ATOM 422 CA ALA A 26 -8.802 -8.948 -3.469 1.00 64.34 C ATOM 423 C ALA A 26 -7.486 -9.374 -2.826 1.00 52.44 C ATOM 424 O ALA A 26 -6.408 -9.025 -3.309 1.00 2.05 O ATOM 425 CB ALA A 26 -9.183 -7.547 -3.017 1.00 75.42 C ATOM 0 H ALA A 26 -10.748 -9.454 -2.879 1.00 65.43 H new ATOM 0 HA ALA A 26 -8.664 -8.943 -4.550 1.00 64.34 H new ATOM 0 HB1 ALA A 26 -8.377 -6.855 -3.260 1.00 75.42 H new ATOM 0 HB2 ALA A 26 -10.095 -7.236 -3.527 1.00 75.42 H new ATOM 0 HB3 ALA A 26 -9.351 -7.545 -1.940 1.00 75.42 H new ATOM 431 N MET A 27 -7.582 -10.126 -1.736 1.00 2.43 N ATOM 432 CA MET A 27 -6.398 -10.598 -1.026 1.00 45.15 C ATOM 433 C MET A 27 -6.029 -12.012 -1.465 1.00 72.30 C ATOM 434 O MET A 27 -5.432 -12.772 -0.704 1.00 25.23 O ATOM 435 CB MET A 27 -6.634 -10.565 0.485 1.00 72.44 C ATOM 436 CG MET A 27 -7.795 -11.436 0.936 1.00 31.22 C ATOM 437 SD MET A 27 -7.285 -13.115 1.350 1.00 3.34 S ATOM 438 CE MET A 27 -6.444 -12.838 2.908 1.00 21.53 C ATOM 0 H MET A 27 -8.467 -10.422 -1.324 1.00 2.43 H new ATOM 0 HA MET A 27 -5.570 -9.933 -1.270 1.00 45.15 H new ATOM 0 HB2 MET A 27 -5.727 -10.891 0.994 1.00 72.44 H new ATOM 0 HB3 MET A 27 -6.821 -9.536 0.793 1.00 72.44 H new ATOM 0 HG2 MET A 27 -8.270 -10.980 1.805 1.00 31.22 H new ATOM 0 HG3 MET A 27 -8.545 -11.473 0.146 1.00 31.22 H new ATOM 0 HE1 MET A 27 -5.806 -13.693 3.134 1.00 21.53 H new ATOM 0 HE2 MET A 27 -5.833 -11.938 2.837 1.00 21.53 H new ATOM 0 HE3 MET A 27 -7.180 -12.714 3.702 1.00 21.53 H new ATOM 448 N ARG A 28 -6.390 -12.357 -2.697 1.00 33.35 N ATOM 449 CA ARG A 28 -6.099 -13.681 -3.236 1.00 1.43 C ATOM 450 C ARG A 28 -4.704 -13.722 -3.852 1.00 45.21 C ATOM 451 O ARG A 28 -3.802 -14.377 -3.329 1.00 53.44 O ATOM 452 CB ARG A 28 -7.143 -14.070 -4.284 1.00 15.23 C ATOM 453 CG ARG A 28 -8.320 -14.844 -3.712 1.00 42.34 C ATOM 454 CD ARG A 28 -9.092 -15.568 -4.804 1.00 54.20 C ATOM 455 NE ARG A 28 -10.159 -16.403 -4.258 1.00 4.32 N ATOM 456 CZ ARG A 28 -9.969 -17.641 -3.815 1.00 1.23 C ATOM 457 NH1 ARG A 28 -8.760 -18.184 -3.854 1.00 31.45 N ATOM 458 NH2 ARG A 28 -10.990 -18.338 -3.332 1.00 24.11 N ATOM 0 H ARG A 28 -6.884 -11.739 -3.340 1.00 33.35 H new ATOM 0 HA ARG A 28 -6.136 -14.396 -2.414 1.00 1.43 H new ATOM 0 HB2 ARG A 28 -7.514 -13.167 -4.768 1.00 15.23 H new ATOM 0 HB3 ARG A 28 -6.664 -14.672 -5.056 1.00 15.23 H new ATOM 0 HG2 ARG A 28 -7.961 -15.566 -2.979 1.00 42.34 H new ATOM 0 HG3 ARG A 28 -8.986 -14.160 -3.186 1.00 42.34 H new ATOM 0 HD2 ARG A 28 -9.519 -14.838 -5.491 1.00 54.20 H new ATOM 0 HD3 ARG A 28 -8.407 -16.188 -5.383 1.00 54.20 H new ATOM 0 HE ARG A 28 -11.101 -16.014 -4.215 1.00 4.32 H new ATOM 0 HH11 ARG A 28 -7.973 -17.651 -4.225 1.00 31.45 H new ATOM 0 HH12 ARG A 28 -8.617 -19.135 -3.513 1.00 31.45 H new ATOM 0 HH21 ARG A 28 -11.921 -17.923 -3.301 1.00 24.11 H new ATOM 0 HH22 ARG A 28 -10.843 -19.288 -2.992 1.00 24.11 H new ATOM 472 N ALA A 29 -4.534 -13.018 -4.967 1.00 15.43 N ATOM 473 CA ALA A 29 -3.249 -12.972 -5.654 1.00 32.14 C ATOM 474 C ALA A 29 -2.191 -12.287 -4.795 1.00 32.53 C ATOM 475 O ALA A 29 -1.003 -12.592 -4.897 1.00 34.02 O ATOM 476 CB ALA A 29 -3.390 -12.259 -6.989 1.00 60.34 C ATOM 0 H ALA A 29 -5.271 -12.472 -5.414 1.00 15.43 H new ATOM 0 HA ALA A 29 -2.925 -13.997 -5.834 1.00 32.14 H new ATOM 0 HB1 ALA A 29 -2.423 -12.232 -7.491 1.00 60.34 H new ATOM 0 HB2 ALA A 29 -4.108 -12.792 -7.612 1.00 60.34 H new ATOM 0 HB3 ALA A 29 -3.741 -11.241 -6.822 1.00 60.34 H new ATOM 482 N ILE A 30 -2.631 -11.360 -3.951 1.00 11.21 N ATOM 483 CA ILE A 30 -1.722 -10.633 -3.075 1.00 11.44 C ATOM 484 C ILE A 30 -1.122 -11.553 -2.018 1.00 22.43 C ATOM 485 O ILE A 30 0.053 -11.911 -2.086 1.00 43.21 O ATOM 486 CB ILE A 30 -2.433 -9.460 -2.373 1.00 44.21 C ATOM 487 CG1 ILE A 30 -2.771 -8.362 -3.385 1.00 1.45 C ATOM 488 CG2 ILE A 30 -1.564 -8.907 -1.254 1.00 34.45 C ATOM 489 CD1 ILE A 30 -3.562 -8.859 -4.574 1.00 43.22 C ATOM 0 H ILE A 30 -3.611 -11.095 -3.856 1.00 11.21 H new ATOM 0 HA ILE A 30 -0.925 -10.240 -3.706 1.00 11.44 H new ATOM 0 HB ILE A 30 -3.363 -9.826 -1.937 1.00 44.21 H new ATOM 0 HG12 ILE A 30 -3.339 -7.579 -2.883 1.00 1.45 H new ATOM 0 HG13 ILE A 30 -1.845 -7.908 -3.739 1.00 1.45 H new ATOM 0 HG21 ILE A 30 -2.080 -8.079 -0.768 1.00 34.45 H new ATOM 0 HG22 ILE A 30 -1.369 -9.692 -0.523 1.00 34.45 H new ATOM 0 HG23 ILE A 30 -0.620 -8.553 -1.668 1.00 34.45 H new ATOM 0 HD11 ILE A 30 -3.766 -8.028 -5.249 1.00 43.22 H new ATOM 0 HD12 ILE A 30 -2.987 -9.621 -5.100 1.00 43.22 H new ATOM 0 HD13 ILE A 30 -4.504 -9.287 -4.231 1.00 43.22 H new ATOM 501 N ASN A 31 -1.939 -11.935 -1.040 1.00 43.24 N ATOM 502 CA ASN A 31 -1.489 -12.816 0.031 1.00 24.24 C ATOM 503 C ASN A 31 -0.661 -13.970 -0.525 1.00 63.42 C ATOM 504 O ASN A 31 0.123 -14.589 0.194 1.00 30.15 O ATOM 505 CB ASN A 31 -2.689 -13.363 0.808 1.00 62.45 C ATOM 506 CG ASN A 31 -3.045 -12.500 2.002 1.00 30.15 C ATOM 507 OD1 ASN A 31 -2.760 -12.857 3.146 1.00 0.32 O ATOM 508 ND2 ASN A 31 -3.672 -11.359 1.743 1.00 32.51 N ATOM 0 H ASN A 31 -2.915 -11.648 -0.968 1.00 43.24 H new ATOM 0 HA ASN A 31 -0.861 -12.234 0.706 1.00 24.24 H new ATOM 0 HB2 ASN A 31 -3.549 -13.431 0.142 1.00 62.45 H new ATOM 0 HB3 ASN A 31 -2.468 -14.375 1.147 1.00 62.45 H new ATOM 0 HD21 ASN A 31 -3.938 -10.738 2.507 1.00 32.51 H new ATOM 0 HD22 ASN A 31 -3.888 -11.103 0.780 1.00 32.51 H new ATOM 515 N ASN A 32 -0.839 -14.254 -1.811 1.00 54.43 N ATOM 516 CA ASN A 32 -0.109 -15.334 -2.465 1.00 44.12 C ATOM 517 C ASN A 32 1.397 -15.144 -2.309 1.00 51.24 C ATOM 518 O ASN A 32 2.179 -16.057 -2.575 1.00 10.12 O ATOM 519 CB ASN A 32 -0.475 -15.400 -3.949 1.00 5.20 C ATOM 520 CG ASN A 32 -0.310 -16.794 -4.524 1.00 32.02 C ATOM 521 OD1 ASN A 32 -0.919 -17.750 -4.044 1.00 1.12 O ATOM 522 ND2 ASN A 32 0.516 -16.915 -5.556 1.00 52.14 N ATOM 0 H ASN A 32 -1.483 -13.751 -2.421 1.00 54.43 H new ATOM 0 HA ASN A 32 -0.391 -16.272 -1.986 1.00 44.12 H new ATOM 0 HB2 ASN A 32 -1.507 -15.076 -4.081 1.00 5.20 H new ATOM 0 HB3 ASN A 32 0.152 -14.704 -4.506 1.00 5.20 H new ATOM 0 HD21 ASN A 32 0.667 -17.828 -5.984 1.00 52.14 H new ATOM 0 HD22 ASN A 32 1.000 -16.095 -5.921 1.00 52.14 H new ATOM 529 N TYR A 33 1.795 -13.953 -1.875 1.00 42.33 N ATOM 530 CA TYR A 33 3.207 -13.643 -1.685 1.00 50.34 C ATOM 531 C TYR A 33 3.760 -14.351 -0.453 1.00 4.33 C ATOM 532 O TYR A 33 4.970 -14.537 -0.320 1.00 14.24 O ATOM 533 CB TYR A 33 3.405 -12.132 -1.549 1.00 73.34 C ATOM 534 CG TYR A 33 2.664 -11.527 -0.379 1.00 32.24 C ATOM 535 CD1 TYR A 33 2.966 -11.896 0.926 1.00 12.12 C ATOM 536 CD2 TYR A 33 1.662 -10.585 -0.577 1.00 35.12 C ATOM 537 CE1 TYR A 33 2.291 -11.347 1.999 1.00 73.41 C ATOM 538 CE2 TYR A 33 0.982 -10.029 0.489 1.00 41.31 C ATOM 539 CZ TYR A 33 1.300 -10.414 1.775 1.00 70.10 C ATOM 540 OH TYR A 33 0.626 -9.864 2.841 1.00 54.42 O ATOM 0 H TYR A 33 1.160 -13.187 -1.648 1.00 42.33 H new ATOM 0 HA TYR A 33 3.751 -13.998 -2.560 1.00 50.34 H new ATOM 0 HB2 TYR A 33 4.469 -11.922 -1.442 1.00 73.34 H new ATOM 0 HB3 TYR A 33 3.075 -11.647 -2.467 1.00 73.34 H new ATOM 0 HD1 TYR A 33 3.742 -12.625 1.105 1.00 12.12 H new ATOM 0 HD2 TYR A 33 1.410 -10.282 -1.583 1.00 35.12 H new ATOM 0 HE1 TYR A 33 2.538 -11.646 3.007 1.00 73.41 H new ATOM 0 HE2 TYR A 33 0.206 -9.298 0.317 1.00 41.31 H new ATOM 0 HH TYR A 33 0.589 -10.513 3.575 1.00 54.42 H new ATOM 550 N ARG A 34 2.865 -14.746 0.446 1.00 22.43 N ATOM 551 CA ARG A 34 3.261 -15.435 1.668 1.00 11.23 C ATOM 552 C ARG A 34 2.158 -16.375 2.145 1.00 12.42 C ATOM 553 O ARG A 34 1.114 -16.497 1.505 1.00 2.13 O ATOM 554 CB ARG A 34 3.592 -14.421 2.765 1.00 25.22 C ATOM 555 CG ARG A 34 5.027 -13.923 2.722 1.00 25.22 C ATOM 556 CD ARG A 34 5.990 -14.949 3.298 1.00 24.44 C ATOM 557 NE ARG A 34 7.324 -14.838 2.714 1.00 41.14 N ATOM 558 CZ ARG A 34 8.411 -15.374 3.256 1.00 23.42 C ATOM 559 NH1 ARG A 34 8.324 -16.057 4.389 1.00 22.11 N ATOM 560 NH2 ARG A 34 9.590 -15.230 2.664 1.00 53.12 N ATOM 0 H ARG A 34 1.860 -14.601 0.351 1.00 22.43 H new ATOM 0 HA ARG A 34 4.149 -16.028 1.450 1.00 11.23 H new ATOM 0 HB2 ARG A 34 2.918 -13.569 2.676 1.00 25.22 H new ATOM 0 HB3 ARG A 34 3.403 -14.876 3.737 1.00 25.22 H new ATOM 0 HG2 ARG A 34 5.305 -13.699 1.692 1.00 25.22 H new ATOM 0 HG3 ARG A 34 5.107 -12.992 3.283 1.00 25.22 H new ATOM 0 HD2 ARG A 34 6.055 -14.818 4.378 1.00 24.44 H new ATOM 0 HD3 ARG A 34 5.600 -15.951 3.122 1.00 24.44 H new ATOM 0 HE ARG A 34 7.426 -14.320 1.841 1.00 41.14 H new ATOM 0 HH11 ARG A 34 7.420 -16.172 4.847 1.00 22.11 H new ATOM 0 HH12 ARG A 34 9.161 -16.467 4.803 1.00 22.11 H new ATOM 0 HH21 ARG A 34 9.662 -14.707 1.791 1.00 53.12 H new ATOM 0 HH22 ARG A 34 10.424 -15.642 3.082 1.00 53.12 H new ATOM 574 N TRP A 35 2.398 -17.036 3.272 1.00 75.42 N ATOM 575 CA TRP A 35 1.424 -17.965 3.834 1.00 20.04 C ATOM 576 C TRP A 35 0.550 -17.275 4.875 1.00 74.24 C ATOM 577 O TRP A 35 -0.381 -17.874 5.413 1.00 21.21 O ATOM 578 CB TRP A 35 2.137 -19.163 4.462 1.00 22.45 C ATOM 579 CG TRP A 35 2.369 -20.289 3.500 1.00 4.41 C ATOM 580 CD1 TRP A 35 1.693 -21.474 3.445 1.00 11.25 C ATOM 581 CD2 TRP A 35 3.347 -20.334 2.455 1.00 1.24 C ATOM 582 NE1 TRP A 35 2.192 -22.253 2.430 1.00 61.35 N ATOM 583 CE2 TRP A 35 3.206 -21.576 1.806 1.00 24.13 C ATOM 584 CE3 TRP A 35 4.326 -19.445 2.003 1.00 3.43 C ATOM 585 CZ2 TRP A 35 4.010 -21.950 0.731 1.00 14.35 C ATOM 586 CZ3 TRP A 35 5.123 -19.817 0.938 1.00 60.44 C ATOM 587 CH2 TRP A 35 4.960 -21.060 0.311 1.00 64.35 C ATOM 0 H TRP A 35 3.257 -16.946 3.814 1.00 75.42 H new ATOM 0 HA TRP A 35 0.783 -18.315 3.025 1.00 20.04 H new ATOM 0 HB2 TRP A 35 3.096 -18.836 4.865 1.00 22.45 H new ATOM 0 HB3 TRP A 35 1.546 -19.528 5.302 1.00 22.45 H new ATOM 0 HD1 TRP A 35 0.885 -21.757 4.103 1.00 11.25 H new ATOM 0 HE1 TRP A 35 1.861 -23.185 2.181 1.00 61.35 H new ATOM 0 HE3 TRP A 35 4.457 -18.484 2.478 1.00 3.43 H new ATOM 0 HZ2 TRP A 35 3.887 -22.908 0.247 1.00 14.35 H new ATOM 0 HZ3 TRP A 35 5.885 -19.139 0.582 1.00 60.44 H new ATOM 0 HH2 TRP A 35 5.598 -21.320 -0.521 1.00 64.35 H new ATOM 598 N ARG A 36 0.855 -16.012 5.154 1.00 3.45 N ATOM 599 CA ARG A 36 0.097 -15.241 6.132 1.00 42.13 C ATOM 600 C ARG A 36 -0.610 -14.065 5.466 1.00 55.42 C ATOM 601 O ARG A 36 -0.486 -13.853 4.259 1.00 40.11 O ATOM 602 CB ARG A 36 1.022 -14.733 7.240 1.00 11.32 C ATOM 603 CG ARG A 36 1.969 -15.793 7.777 1.00 4.20 C ATOM 604 CD ARG A 36 2.700 -15.310 9.020 1.00 50.21 C ATOM 605 NE ARG A 36 3.716 -16.261 9.461 1.00 43.41 N ATOM 606 CZ ARG A 36 3.434 -17.448 9.987 1.00 1.11 C ATOM 607 NH1 ARG A 36 2.172 -17.827 10.135 1.00 45.15 N ATOM 608 NH2 ARG A 36 4.414 -18.258 10.365 1.00 20.03 N ATOM 0 H ARG A 36 1.622 -15.501 4.717 1.00 3.45 H new ATOM 0 HA ARG A 36 -0.657 -15.896 6.569 1.00 42.13 H new ATOM 0 HB2 ARG A 36 1.606 -13.896 6.858 1.00 11.32 H new ATOM 0 HB3 ARG A 36 0.415 -14.350 8.061 1.00 11.32 H new ATOM 0 HG2 ARG A 36 1.408 -16.698 8.012 1.00 4.20 H new ATOM 0 HG3 ARG A 36 2.694 -16.058 7.007 1.00 4.20 H new ATOM 0 HD2 ARG A 36 3.169 -14.348 8.814 1.00 50.21 H new ATOM 0 HD3 ARG A 36 1.981 -15.149 9.823 1.00 50.21 H new ATOM 0 HE ARG A 36 4.697 -16.000 9.360 1.00 43.41 H new ATOM 0 HH11 ARG A 36 1.416 -17.207 9.845 1.00 45.15 H new ATOM 0 HH12 ARG A 36 1.957 -18.739 10.539 1.00 45.15 H new ATOM 0 HH21 ARG A 36 5.386 -17.970 10.252 1.00 20.03 H new ATOM 0 HH22 ARG A 36 4.196 -19.169 10.769 1.00 20.03 H new ATOM 622 N CYS A 37 -1.353 -13.301 6.260 1.00 15.52 N ATOM 623 CA CYS A 37 -2.082 -12.146 5.750 1.00 71.04 C ATOM 624 C CYS A 37 -1.921 -10.947 6.679 1.00 51.23 C ATOM 625 O CYS A 37 -2.026 -11.073 7.899 1.00 73.44 O ATOM 626 CB CYS A 37 -3.565 -12.484 5.587 1.00 1.51 C ATOM 627 SG CYS A 37 -4.499 -12.500 7.151 1.00 73.54 S ATOM 0 H CYS A 37 -1.466 -13.462 7.261 1.00 15.52 H new ATOM 0 HA CYS A 37 -1.666 -11.887 4.776 1.00 71.04 H new ATOM 0 HB2 CYS A 37 -4.020 -11.759 4.912 1.00 1.51 H new ATOM 0 HB3 CYS A 37 -3.654 -13.461 5.113 1.00 1.51 H new ATOM 632 N LYS A 38 -1.665 -9.782 6.093 1.00 73.34 N ATOM 633 CA LYS A 38 -1.490 -8.558 6.866 1.00 74.54 C ATOM 634 C LYS A 38 -2.709 -8.291 7.744 1.00 12.40 C ATOM 635 O LYS A 38 -3.835 -8.624 7.377 1.00 60.41 O ATOM 636 CB LYS A 38 -1.252 -7.370 5.931 1.00 15.43 C ATOM 637 CG LYS A 38 -0.251 -7.656 4.826 1.00 23.12 C ATOM 638 CD LYS A 38 1.038 -8.241 5.379 1.00 23.41 C ATOM 639 CE LYS A 38 2.235 -7.867 4.518 1.00 14.14 C ATOM 640 NZ LYS A 38 3.523 -8.219 5.176 1.00 63.45 N ATOM 0 H LYS A 38 -1.574 -9.660 5.084 1.00 73.34 H new ATOM 0 HA LYS A 38 -0.620 -8.685 7.510 1.00 74.54 H new ATOM 0 HB2 LYS A 38 -2.201 -7.076 5.483 1.00 15.43 H new ATOM 0 HB3 LYS A 38 -0.900 -6.522 6.518 1.00 15.43 H new ATOM 0 HG2 LYS A 38 -0.688 -8.350 4.108 1.00 23.12 H new ATOM 0 HG3 LYS A 38 -0.031 -6.735 4.286 1.00 23.12 H new ATOM 0 HD2 LYS A 38 1.194 -7.883 6.396 1.00 23.41 H new ATOM 0 HD3 LYS A 38 0.952 -9.326 5.433 1.00 23.41 H new ATOM 0 HE2 LYS A 38 2.166 -8.379 3.558 1.00 14.14 H new ATOM 0 HE3 LYS A 38 2.213 -6.797 4.311 1.00 14.14 H new ATOM 0 HZ1 LYS A 38 4.314 -7.948 4.558 1.00 63.45 H new ATOM 0 HZ2 LYS A 38 3.601 -7.711 6.080 1.00 63.45 H new ATOM 0 HZ3 LYS A 38 3.555 -9.244 5.351 1.00 63.45 H new ATOM 654 N ASN A 39 -2.475 -7.686 8.904 1.00 31.01 N ATOM 655 CA ASN A 39 -3.554 -7.374 9.834 1.00 73.12 C ATOM 656 C ASN A 39 -4.349 -6.162 9.357 1.00 34.43 C ATOM 657 O ASN A 39 -5.488 -5.952 9.776 1.00 73.34 O ATOM 658 CB ASN A 39 -2.991 -7.110 11.232 1.00 11.12 C ATOM 659 CG ASN A 39 -4.018 -6.493 12.162 1.00 44.43 C ATOM 660 OD1 ASN A 39 -3.977 -5.294 12.441 1.00 31.53 O ATOM 661 ND2 ASN A 39 -4.944 -7.311 12.647 1.00 40.12 N ATOM 0 H ASN A 39 -1.548 -7.402 9.222 1.00 31.01 H new ATOM 0 HA ASN A 39 -4.224 -8.233 9.876 1.00 73.12 H new ATOM 0 HB2 ASN A 39 -2.634 -8.047 11.660 1.00 11.12 H new ATOM 0 HB3 ASN A 39 -2.130 -6.446 11.155 1.00 11.12 H new ATOM 0 HD21 ASN A 39 -5.661 -6.953 13.278 1.00 40.12 H new ATOM 0 HD22 ASN A 39 -4.939 -8.298 12.388 1.00 40.12 H new ATOM 668 N GLN A 40 -3.742 -5.370 8.480 1.00 22.01 N ATOM 669 CA GLN A 40 -4.393 -4.179 7.947 1.00 32.34 C ATOM 670 C GLN A 40 -3.881 -3.861 6.546 1.00 54.21 C ATOM 671 O GLN A 40 -2.676 -3.765 6.321 1.00 23.12 O ATOM 672 CB GLN A 40 -4.156 -2.985 8.873 1.00 33.14 C ATOM 673 CG GLN A 40 -5.225 -2.823 9.942 1.00 30.34 C ATOM 674 CD GLN A 40 -4.689 -2.193 11.212 1.00 22.14 C ATOM 675 OE1 GLN A 40 -3.629 -1.566 11.209 1.00 73.42 O ATOM 676 NE2 GLN A 40 -5.421 -2.356 12.309 1.00 25.10 N ATOM 0 H GLN A 40 -2.800 -5.531 8.123 1.00 22.01 H new ATOM 0 HA GLN A 40 -5.463 -4.376 7.887 1.00 32.34 H new ATOM 0 HB2 GLN A 40 -3.185 -3.097 9.356 1.00 33.14 H new ATOM 0 HB3 GLN A 40 -4.111 -2.075 8.275 1.00 33.14 H new ATOM 0 HG2 GLN A 40 -6.035 -2.208 9.550 1.00 30.34 H new ATOM 0 HG3 GLN A 40 -5.650 -3.799 10.176 1.00 30.34 H new ATOM 0 HE21 GLN A 40 -6.293 -2.883 12.266 1.00 25.10 H new ATOM 0 HE22 GLN A 40 -5.111 -1.954 13.194 1.00 25.10 H new ATOM 685 N ASN A 41 -4.808 -3.697 5.607 1.00 64.33 N ATOM 686 CA ASN A 41 -4.450 -3.390 4.226 1.00 51.31 C ATOM 687 C ASN A 41 -5.277 -2.222 3.698 1.00 72.44 C ATOM 688 O ASN A 41 -6.443 -2.058 4.059 1.00 1.40 O ATOM 689 CB ASN A 41 -4.656 -4.619 3.339 1.00 73.22 C ATOM 690 CG ASN A 41 -4.103 -4.421 1.940 1.00 3.02 C ATOM 691 OD1 ASN A 41 -3.674 -3.326 1.580 1.00 45.14 O ATOM 692 ND2 ASN A 41 -4.112 -5.485 1.145 1.00 53.13 N ATOM 0 H ASN A 41 -5.811 -3.771 5.777 1.00 64.33 H new ATOM 0 HA ASN A 41 -3.398 -3.107 4.203 1.00 51.31 H new ATOM 0 HB2 ASN A 41 -4.173 -5.481 3.799 1.00 73.22 H new ATOM 0 HB3 ASN A 41 -5.720 -4.845 3.277 1.00 73.22 H new ATOM 0 HD21 ASN A 41 -3.753 -5.413 0.193 1.00 53.13 H new ATOM 0 HD22 ASN A 41 -4.478 -6.374 1.487 1.00 53.13 H new ATOM 699 N THR A 42 -4.668 -1.414 2.837 1.00 44.23 N ATOM 700 CA THR A 42 -5.346 -0.261 2.257 1.00 24.54 C ATOM 701 C THR A 42 -4.991 -0.097 0.784 1.00 32.32 C ATOM 702 O THR A 42 -3.838 0.157 0.437 1.00 14.13 O ATOM 703 CB THR A 42 -4.989 1.036 3.007 1.00 62.33 C ATOM 704 OG1 THR A 42 -5.418 0.948 4.370 1.00 62.23 O ATOM 705 CG2 THR A 42 -5.639 2.241 2.342 1.00 21.14 C ATOM 0 H THR A 42 -3.705 -1.537 2.525 1.00 44.23 H new ATOM 0 HA THR A 42 -6.416 -0.444 2.351 1.00 24.54 H new ATOM 0 HB THR A 42 -3.907 1.162 2.975 1.00 62.33 H new ATOM 0 HG1 THR A 42 -5.186 1.776 4.840 1.00 62.23 H new ATOM 0 HG21 THR A 42 -5.373 3.146 2.889 1.00 21.14 H new ATOM 0 HG22 THR A 42 -5.288 2.322 1.313 1.00 21.14 H new ATOM 0 HG23 THR A 42 -6.722 2.119 2.347 1.00 21.14 H new ATOM 713 N PHE A 43 -5.990 -0.245 -0.081 1.00 22.23 N ATOM 714 CA PHE A 43 -5.783 -0.113 -1.518 1.00 21.12 C ATOM 715 C PHE A 43 -6.198 1.272 -2.003 1.00 11.34 C ATOM 716 O PHE A 43 -7.388 1.572 -2.117 1.00 43.52 O ATOM 717 CB PHE A 43 -6.574 -1.187 -2.269 1.00 0.45 C ATOM 718 CG PHE A 43 -6.211 -2.589 -1.869 1.00 41.12 C ATOM 719 CD1 PHE A 43 -6.371 -3.013 -0.560 1.00 62.42 C ATOM 720 CD2 PHE A 43 -5.711 -3.482 -2.803 1.00 52.43 C ATOM 721 CE1 PHE A 43 -6.037 -4.302 -0.190 1.00 61.11 C ATOM 722 CE2 PHE A 43 -5.375 -4.772 -2.438 1.00 75.35 C ATOM 723 CZ PHE A 43 -5.540 -5.183 -1.130 1.00 43.04 C ATOM 0 H PHE A 43 -6.951 -0.456 0.189 1.00 22.23 H new ATOM 0 HA PHE A 43 -4.720 -0.245 -1.720 1.00 21.12 H new ATOM 0 HB2 PHE A 43 -7.639 -1.032 -2.094 1.00 0.45 H new ATOM 0 HB3 PHE A 43 -6.407 -1.068 -3.339 1.00 0.45 H new ATOM 0 HD1 PHE A 43 -6.761 -2.329 0.179 1.00 62.42 H new ATOM 0 HD2 PHE A 43 -5.582 -3.166 -3.828 1.00 52.43 H new ATOM 0 HE1 PHE A 43 -6.165 -4.620 0.834 1.00 61.11 H new ATOM 0 HE2 PHE A 43 -4.984 -5.458 -3.175 1.00 75.35 H new ATOM 0 HZ PHE A 43 -5.281 -6.191 -0.843 1.00 43.04 H new ATOM 733 N LEU A 44 -5.210 2.114 -2.287 1.00 33.14 N ATOM 734 CA LEU A 44 -5.471 3.469 -2.759 1.00 1.22 C ATOM 735 C LEU A 44 -5.759 3.477 -4.257 1.00 3.50 C ATOM 736 O LEU A 44 -4.981 2.950 -5.051 1.00 63.12 O ATOM 737 CB LEU A 44 -4.277 4.376 -2.452 1.00 14.03 C ATOM 738 CG LEU A 44 -3.426 3.979 -1.245 1.00 73.11 C ATOM 739 CD1 LEU A 44 -2.487 5.112 -0.860 1.00 54.10 C ATOM 740 CD2 LEU A 44 -4.313 3.595 -0.070 1.00 65.11 C ATOM 0 H LEU A 44 -4.221 1.882 -2.198 1.00 33.14 H new ATOM 0 HA LEU A 44 -6.350 3.847 -2.237 1.00 1.22 H new ATOM 0 HB2 LEU A 44 -3.633 4.406 -3.331 1.00 14.03 H new ATOM 0 HB3 LEU A 44 -4.647 5.389 -2.293 1.00 14.03 H new ATOM 0 HG LEU A 44 -2.824 3.112 -1.517 1.00 73.11 H new ATOM 0 HD11 LEU A 44 -1.889 4.812 0.001 1.00 54.10 H new ATOM 0 HD12 LEU A 44 -1.828 5.339 -1.698 1.00 54.10 H new ATOM 0 HD13 LEU A 44 -3.070 5.997 -0.606 1.00 54.10 H new ATOM 0 HD21 LEU A 44 -3.690 3.315 0.780 1.00 65.11 H new ATOM 0 HD22 LEU A 44 -4.941 4.443 0.204 1.00 65.11 H new ATOM 0 HD23 LEU A 44 -4.944 2.751 -0.351 1.00 65.11 H new ATOM 752 N ARG A 45 -6.881 4.081 -4.635 1.00 52.32 N ATOM 753 CA ARG A 45 -7.271 4.160 -6.037 1.00 2.02 C ATOM 754 C ARG A 45 -6.375 5.135 -6.797 1.00 34.41 C ATOM 755 O ARG A 45 -6.762 6.273 -7.062 1.00 74.10 O ATOM 756 CB ARG A 45 -8.733 4.593 -6.159 1.00 13.14 C ATOM 757 CG ARG A 45 -9.709 3.640 -5.487 1.00 40.13 C ATOM 758 CD ARG A 45 -11.149 3.986 -5.828 1.00 53.01 C ATOM 759 NE ARG A 45 -11.351 4.133 -7.267 1.00 53.45 N ATOM 760 CZ ARG A 45 -12.481 4.572 -7.810 1.00 63.21 C ATOM 761 NH1 ARG A 45 -13.507 4.904 -7.038 1.00 45.14 N ATOM 762 NH2 ARG A 45 -12.588 4.678 -9.128 1.00 44.35 N ATOM 0 H ARG A 45 -7.536 4.523 -3.990 1.00 52.32 H new ATOM 0 HA ARG A 45 -7.155 3.169 -6.476 1.00 2.02 H new ATOM 0 HB2 ARG A 45 -8.847 5.585 -5.721 1.00 13.14 H new ATOM 0 HB3 ARG A 45 -8.991 4.679 -7.215 1.00 13.14 H new ATOM 0 HG2 ARG A 45 -9.495 2.618 -5.800 1.00 40.13 H new ATOM 0 HG3 ARG A 45 -9.571 3.678 -4.406 1.00 40.13 H new ATOM 0 HD2 ARG A 45 -11.809 3.207 -5.447 1.00 53.01 H new ATOM 0 HD3 ARG A 45 -11.428 4.913 -5.326 1.00 53.01 H new ATOM 0 HE ARG A 45 -10.582 3.885 -7.889 1.00 53.45 H new ATOM 0 HH11 ARG A 45 -13.430 4.823 -6.024 1.00 45.14 H new ATOM 0 HH12 ARG A 45 -14.373 5.241 -7.458 1.00 45.14 H new ATOM 0 HH21 ARG A 45 -11.802 4.422 -9.726 1.00 44.35 H new ATOM 0 HH22 ARG A 45 -13.456 5.015 -9.544 1.00 44.35 H new ATOM 776 N THR A 46 -5.176 4.680 -7.146 1.00 1.44 N ATOM 777 CA THR A 46 -4.225 5.511 -7.873 1.00 12.22 C ATOM 778 C THR A 46 -3.161 4.659 -8.556 1.00 12.33 C ATOM 779 O THR A 46 -2.949 3.502 -8.192 1.00 64.54 O ATOM 780 CB THR A 46 -3.535 6.523 -6.939 1.00 54.42 C ATOM 781 OG1 THR A 46 -2.707 7.408 -7.703 1.00 0.10 O ATOM 782 CG2 THR A 46 -2.693 5.809 -5.893 1.00 32.51 C ATOM 0 H THR A 46 -4.840 3.740 -6.937 1.00 1.44 H new ATOM 0 HA THR A 46 -4.792 6.054 -8.629 1.00 12.22 H new ATOM 0 HB THR A 46 -4.308 7.098 -6.428 1.00 54.42 H new ATOM 0 HG1 THR A 46 -2.273 8.050 -7.103 1.00 0.10 H new ATOM 0 HG21 THR A 46 -2.216 6.545 -5.246 1.00 32.51 H new ATOM 0 HG22 THR A 46 -3.331 5.158 -5.295 1.00 32.51 H new ATOM 0 HG23 THR A 46 -1.928 5.211 -6.388 1.00 32.51 H new ATOM 790 N THR A 47 -2.492 5.240 -9.548 1.00 14.21 N ATOM 791 CA THR A 47 -1.449 4.534 -10.282 1.00 32.32 C ATOM 792 C THR A 47 -0.102 4.660 -9.581 1.00 34.04 C ATOM 793 O THR A 47 0.104 5.560 -8.766 1.00 13.41 O ATOM 794 CB THR A 47 -1.318 5.066 -11.721 1.00 55.53 C ATOM 795 OG1 THR A 47 -2.583 5.557 -12.180 1.00 11.22 O ATOM 796 CG2 THR A 47 -0.821 3.976 -12.658 1.00 25.33 C ATOM 0 H THR A 47 -2.654 6.197 -9.861 1.00 14.21 H new ATOM 0 HA THR A 47 -1.741 3.484 -10.315 1.00 32.32 H new ATOM 0 HB THR A 47 -0.593 5.880 -11.719 1.00 55.53 H new ATOM 0 HG1 THR A 47 -2.608 6.532 -12.089 1.00 11.22 H new ATOM 0 HG21 THR A 47 -0.736 4.376 -13.669 1.00 25.33 H new ATOM 0 HG22 THR A 47 0.155 3.626 -12.323 1.00 25.33 H new ATOM 0 HG23 THR A 47 -1.525 3.144 -12.655 1.00 25.33 H new ATOM 804 N PHE A 48 0.813 3.752 -9.901 1.00 42.42 N ATOM 805 CA PHE A 48 2.143 3.761 -9.302 1.00 1.34 C ATOM 806 C PHE A 48 2.895 5.037 -9.665 1.00 43.52 C ATOM 807 O PHE A 48 3.660 5.571 -8.862 1.00 33.11 O ATOM 808 CB PHE A 48 2.940 2.538 -9.758 1.00 30.33 C ATOM 809 CG PHE A 48 3.930 2.052 -8.738 1.00 33.31 C ATOM 810 CD1 PHE A 48 3.512 1.686 -7.468 1.00 64.21 C ATOM 811 CD2 PHE A 48 5.277 1.961 -9.048 1.00 1.22 C ATOM 812 CE1 PHE A 48 4.422 1.240 -6.527 1.00 33.43 C ATOM 813 CE2 PHE A 48 6.191 1.515 -8.112 1.00 14.30 C ATOM 814 CZ PHE A 48 5.761 1.153 -6.850 1.00 61.10 C ATOM 0 H PHE A 48 0.658 3.000 -10.572 1.00 42.42 H new ATOM 0 HA PHE A 48 2.026 3.726 -8.219 1.00 1.34 H new ATOM 0 HB2 PHE A 48 2.247 1.730 -9.994 1.00 30.33 H new ATOM 0 HB3 PHE A 48 3.470 2.782 -10.679 1.00 30.33 H new ATOM 0 HD1 PHE A 48 2.465 1.750 -7.211 1.00 64.21 H new ATOM 0 HD2 PHE A 48 5.617 2.242 -10.034 1.00 1.22 H new ATOM 0 HE1 PHE A 48 4.085 0.960 -5.540 1.00 33.43 H new ATOM 0 HE2 PHE A 48 7.239 1.450 -8.367 1.00 14.30 H new ATOM 0 HZ PHE A 48 6.472 0.802 -6.117 1.00 61.10 H new ATOM 824 N ALA A 49 2.672 5.522 -10.882 1.00 72.44 N ATOM 825 CA ALA A 49 3.327 6.736 -11.354 1.00 33.14 C ATOM 826 C ALA A 49 2.919 7.941 -10.513 1.00 42.43 C ATOM 827 O ALA A 49 3.755 8.768 -10.150 1.00 72.41 O ATOM 828 CB ALA A 49 3.000 6.978 -12.820 1.00 33.22 C ATOM 0 H ALA A 49 2.042 5.092 -11.560 1.00 72.44 H new ATOM 0 HA ALA A 49 4.404 6.601 -11.252 1.00 33.14 H new ATOM 0 HB1 ALA A 49 3.496 7.888 -13.158 1.00 33.22 H new ATOM 0 HB2 ALA A 49 3.347 6.133 -13.415 1.00 33.22 H new ATOM 0 HB3 ALA A 49 1.922 7.087 -12.939 1.00 33.22 H new ATOM 834 N ASN A 50 1.629 8.034 -10.206 1.00 61.34 N ATOM 835 CA ASN A 50 1.111 9.139 -9.409 1.00 43.22 C ATOM 836 C ASN A 50 1.618 9.058 -7.972 1.00 15.51 C ATOM 837 O ASN A 50 1.625 10.054 -7.248 1.00 64.11 O ATOM 838 CB ASN A 50 -0.419 9.132 -9.423 1.00 13.32 C ATOM 839 CG ASN A 50 -0.986 9.407 -10.802 1.00 65.31 C ATOM 840 OD1 ASN A 50 -1.486 8.364 -11.455 1.00 41.01 O flip ATOM 841 ND2 ASN A 50 -0.974 10.543 -11.275 1.00 40.30 N flip ATOM 0 H ASN A 50 0.924 7.357 -10.497 1.00 61.34 H new ATOM 0 HA ASN A 50 1.468 10.070 -9.849 1.00 43.22 H new ATOM 0 HB2 ASN A 50 -0.778 8.165 -9.072 1.00 13.32 H new ATOM 0 HB3 ASN A 50 -0.789 9.882 -8.725 1.00 13.32 H new ATOM 0 HD21 ASN A 50 -0.580 11.315 -10.738 1.00 40.30 H new ATOM 0 HD22 ASN A 50 -1.358 10.713 -12.204 1.00 40.30 H new ATOM 848 N VAL A 51 2.041 7.865 -7.567 1.00 1.54 N ATOM 849 CA VAL A 51 2.552 7.654 -6.217 1.00 24.13 C ATOM 850 C VAL A 51 4.015 8.071 -6.111 1.00 32.15 C ATOM 851 O VAL A 51 4.424 8.694 -5.132 1.00 33.25 O ATOM 852 CB VAL A 51 2.418 6.180 -5.791 1.00 20.34 C ATOM 853 CG1 VAL A 51 3.348 5.873 -4.627 1.00 52.22 C ATOM 854 CG2 VAL A 51 0.975 5.859 -5.429 1.00 53.14 C ATOM 0 H VAL A 51 2.040 7.030 -8.153 1.00 1.54 H new ATOM 0 HA VAL A 51 1.952 8.274 -5.551 1.00 24.13 H new ATOM 0 HB VAL A 51 2.707 5.550 -6.632 1.00 20.34 H new ATOM 0 HG11 VAL A 51 3.239 4.827 -4.340 1.00 52.22 H new ATOM 0 HG12 VAL A 51 4.379 6.062 -4.926 1.00 52.22 H new ATOM 0 HG13 VAL A 51 3.093 6.510 -3.780 1.00 52.22 H new ATOM 0 HG21 VAL A 51 0.899 4.813 -5.130 1.00 53.14 H new ATOM 0 HG22 VAL A 51 0.656 6.496 -4.604 1.00 53.14 H new ATOM 0 HG23 VAL A 51 0.335 6.037 -6.293 1.00 53.14 H new ATOM 864 N VAL A 52 4.798 7.723 -7.127 1.00 41.11 N ATOM 865 CA VAL A 52 6.216 8.063 -7.149 1.00 55.24 C ATOM 866 C VAL A 52 6.420 9.573 -7.110 1.00 34.20 C ATOM 867 O VAL A 52 7.414 10.062 -6.576 1.00 21.13 O ATOM 868 CB VAL A 52 6.910 7.494 -8.401 1.00 52.04 C ATOM 869 CG1 VAL A 52 8.389 7.848 -8.400 1.00 13.24 C ATOM 870 CG2 VAL A 52 6.713 5.988 -8.482 1.00 54.22 C ATOM 0 H VAL A 52 4.475 7.206 -7.945 1.00 41.11 H new ATOM 0 HA VAL A 52 6.662 7.616 -6.261 1.00 55.24 H new ATOM 0 HB VAL A 52 6.455 7.944 -9.283 1.00 52.04 H new ATOM 0 HG11 VAL A 52 8.862 7.437 -9.292 1.00 13.24 H new ATOM 0 HG12 VAL A 52 8.504 8.932 -8.395 1.00 13.24 H new ATOM 0 HG13 VAL A 52 8.863 7.429 -7.512 1.00 13.24 H new ATOM 0 HG21 VAL A 52 7.210 5.603 -9.373 1.00 54.22 H new ATOM 0 HG22 VAL A 52 7.140 5.517 -7.596 1.00 54.22 H new ATOM 0 HG23 VAL A 52 5.648 5.763 -8.535 1.00 54.22 H new ATOM 880 N ASN A 53 5.470 10.308 -7.680 1.00 45.40 N ATOM 881 CA ASN A 53 5.546 11.764 -7.711 1.00 54.41 C ATOM 882 C ASN A 53 5.325 12.350 -6.319 1.00 22.43 C ATOM 883 O ASN A 53 5.719 13.483 -6.040 1.00 62.30 O ATOM 884 CB ASN A 53 4.509 12.329 -8.684 1.00 42.04 C ATOM 885 CG ASN A 53 4.372 13.835 -8.573 1.00 33.02 C ATOM 886 OD1 ASN A 53 5.115 14.586 -9.204 1.00 45.21 O ATOM 887 ND2 ASN A 53 3.417 14.284 -7.767 1.00 12.23 N ATOM 0 H ASN A 53 4.639 9.919 -8.126 1.00 45.40 H new ATOM 0 HA ASN A 53 6.543 12.044 -8.050 1.00 54.41 H new ATOM 0 HB2 ASN A 53 4.791 12.067 -9.704 1.00 42.04 H new ATOM 0 HB3 ASN A 53 3.542 11.864 -8.491 1.00 42.04 H new ATOM 0 HD21 ASN A 53 3.277 15.288 -7.652 1.00 12.23 H new ATOM 0 HD22 ASN A 53 2.824 13.625 -7.263 1.00 12.23 H new ATOM 894 N VAL A 54 4.693 11.569 -5.448 1.00 32.12 N ATOM 895 CA VAL A 54 4.421 12.008 -4.084 1.00 51.24 C ATOM 896 C VAL A 54 5.690 11.995 -3.240 1.00 12.14 C ATOM 897 O VAL A 54 5.912 12.885 -2.418 1.00 53.14 O ATOM 898 CB VAL A 54 3.358 11.121 -3.410 1.00 33.32 C ATOM 899 CG1 VAL A 54 3.415 11.275 -1.898 1.00 20.22 C ATOM 900 CG2 VAL A 54 1.971 11.458 -3.937 1.00 40.41 C ATOM 0 H VAL A 54 4.360 10.629 -5.663 1.00 32.12 H new ATOM 0 HA VAL A 54 4.042 13.028 -4.149 1.00 51.24 H new ATOM 0 HB VAL A 54 3.571 10.080 -3.653 1.00 33.32 H new ATOM 0 HG11 VAL A 54 2.657 10.641 -1.439 1.00 20.22 H new ATOM 0 HG12 VAL A 54 4.401 10.980 -1.539 1.00 20.22 H new ATOM 0 HG13 VAL A 54 3.228 12.315 -1.631 1.00 20.22 H new ATOM 0 HG21 VAL A 54 1.232 10.822 -3.450 1.00 40.41 H new ATOM 0 HG22 VAL A 54 1.745 12.503 -3.726 1.00 40.41 H new ATOM 0 HG23 VAL A 54 1.940 11.291 -5.014 1.00 40.41 H new ATOM 910 N CYS A 55 6.520 10.978 -3.447 1.00 11.14 N ATOM 911 CA CYS A 55 7.768 10.846 -2.704 1.00 41.54 C ATOM 912 C CYS A 55 8.745 11.956 -3.081 1.00 53.35 C ATOM 913 O CYS A 55 9.694 12.238 -2.351 1.00 34.31 O ATOM 914 CB CYS A 55 8.403 9.481 -2.971 1.00 10.13 C ATOM 915 SG CYS A 55 7.285 8.072 -2.680 1.00 62.41 S ATOM 0 H CYS A 55 6.351 10.233 -4.123 1.00 11.14 H new ATOM 0 HA CYS A 55 7.540 10.931 -1.642 1.00 41.54 H new ATOM 0 HB2 CYS A 55 8.749 9.449 -4.004 1.00 10.13 H new ATOM 0 HB3 CYS A 55 9.282 9.371 -2.336 1.00 10.13 H new ATOM 920 N GLY A 56 8.505 12.584 -4.229 1.00 12.00 N ATOM 921 CA GLY A 56 9.371 13.655 -4.684 1.00 4.41 C ATOM 922 C GLY A 56 8.872 15.023 -4.265 1.00 14.24 C ATOM 923 O GLY A 56 9.290 16.041 -4.815 1.00 25.41 O ATOM 0 H GLY A 56 7.726 12.369 -4.851 1.00 12.00 H new ATOM 0 HA2 GLY A 56 10.374 13.500 -4.286 1.00 4.41 H new ATOM 0 HA3 GLY A 56 9.449 13.618 -5.771 1.00 4.41 H new ATOM 927 N ASN A 57 7.972 15.048 -3.286 1.00 52.22 N ATOM 928 CA ASN A 57 7.413 16.302 -2.793 1.00 71.33 C ATOM 929 C ASN A 57 7.889 16.590 -1.373 1.00 45.22 C ATOM 930 O ASN A 57 8.409 15.706 -0.693 1.00 10.33 O ATOM 931 CB ASN A 57 5.884 16.252 -2.831 1.00 22.54 C ATOM 932 CG ASN A 57 5.306 15.402 -1.715 1.00 44.10 C ATOM 933 OD1 ASN A 57 6.033 14.923 -0.845 1.00 45.43 O ATOM 934 ND2 ASN A 57 3.993 15.212 -1.737 1.00 35.53 N ATOM 0 H ASN A 57 7.615 14.215 -2.819 1.00 52.22 H new ATOM 0 HA ASN A 57 7.760 17.106 -3.442 1.00 71.33 H new ATOM 0 HB2 ASN A 57 5.488 17.265 -2.755 1.00 22.54 H new ATOM 0 HB3 ASN A 57 5.560 15.854 -3.793 1.00 22.54 H new ATOM 0 HD21 ASN A 57 3.547 14.649 -1.013 1.00 35.53 H new ATOM 0 HD22 ASN A 57 3.430 15.629 -2.478 1.00 35.53 H new ATOM 941 N GLN A 58 7.707 17.831 -0.934 1.00 10.30 N ATOM 942 CA GLN A 58 8.118 18.235 0.406 1.00 63.43 C ATOM 943 C GLN A 58 7.657 17.219 1.446 1.00 3.20 C ATOM 944 O GLN A 58 6.469 17.128 1.755 1.00 41.51 O ATOM 945 CB GLN A 58 7.556 19.617 0.740 1.00 72.43 C ATOM 946 CG GLN A 58 8.430 20.416 1.693 1.00 25.41 C ATOM 947 CD GLN A 58 8.339 19.920 3.122 1.00 5.01 C ATOM 948 OE1 GLN A 58 7.268 19.931 3.729 1.00 35.11 O ATOM 949 NE2 GLN A 58 9.467 19.482 3.670 1.00 4.12 N ATOM 0 H GLN A 58 7.278 18.574 -1.486 1.00 10.30 H new ATOM 0 HA GLN A 58 9.207 18.280 0.427 1.00 63.43 H new ATOM 0 HB2 GLN A 58 7.430 20.182 -0.184 1.00 72.43 H new ATOM 0 HB3 GLN A 58 6.566 19.500 1.180 1.00 72.43 H new ATOM 0 HG2 GLN A 58 9.466 20.364 1.360 1.00 25.41 H new ATOM 0 HG3 GLN A 58 8.136 21.465 1.657 1.00 25.41 H new ATOM 0 HE21 GLN A 58 10.333 19.490 3.131 1.00 4.12 H new ATOM 0 HE22 GLN A 58 9.467 19.137 4.630 1.00 4.12 H new ATOM 958 N SER A 59 8.604 16.457 1.983 1.00 2.21 N ATOM 959 CA SER A 59 8.294 15.445 2.986 1.00 42.55 C ATOM 960 C SER A 59 7.821 16.094 4.284 1.00 24.22 C ATOM 961 O SER A 59 7.951 17.304 4.469 1.00 42.01 O ATOM 962 CB SER A 59 9.521 14.572 3.256 1.00 3.50 C ATOM 963 OG SER A 59 10.658 15.366 3.547 1.00 42.03 O ATOM 0 H SER A 59 9.593 16.521 1.740 1.00 2.21 H new ATOM 0 HA SER A 59 7.490 14.819 2.599 1.00 42.55 H new ATOM 0 HB2 SER A 59 9.318 13.902 4.092 1.00 3.50 H new ATOM 0 HB3 SER A 59 9.724 13.946 2.387 1.00 3.50 H new ATOM 0 HG SER A 59 11.428 14.784 3.717 1.00 42.03 H new ATOM 969 N ILE A 60 7.273 15.279 5.179 1.00 55.12 N ATOM 970 CA ILE A 60 6.781 15.772 6.459 1.00 21.23 C ATOM 971 C ILE A 60 7.049 14.767 7.575 1.00 24.02 C ATOM 972 O ILE A 60 7.643 13.713 7.345 1.00 33.42 O ATOM 973 CB ILE A 60 5.271 16.070 6.406 1.00 51.53 C ATOM 974 CG1 ILE A 60 4.578 15.130 5.418 1.00 54.11 C ATOM 975 CG2 ILE A 60 5.033 17.523 6.019 1.00 34.43 C ATOM 976 CD1 ILE A 60 3.079 15.054 5.607 1.00 4.41 C ATOM 0 H ILE A 60 7.159 14.275 5.041 1.00 55.12 H new ATOM 0 HA ILE A 60 7.319 16.697 6.668 1.00 21.23 H new ATOM 0 HB ILE A 60 4.847 15.903 7.396 1.00 51.53 H new ATOM 0 HG12 ILE A 60 4.792 15.462 4.402 1.00 54.11 H new ATOM 0 HG13 ILE A 60 5.000 14.131 5.522 1.00 54.11 H new ATOM 0 HG21 ILE A 60 3.961 17.720 5.985 1.00 34.43 H new ATOM 0 HG22 ILE A 60 5.499 18.177 6.756 1.00 34.43 H new ATOM 0 HG23 ILE A 60 5.468 17.714 5.038 1.00 34.43 H new ATOM 0 HD11 ILE A 60 2.654 14.370 4.873 1.00 4.41 H new ATOM 0 HD12 ILE A 60 2.857 14.693 6.611 1.00 4.41 H new ATOM 0 HD13 ILE A 60 2.645 16.045 5.473 1.00 4.41 H new ATOM 988 N ARG A 61 6.607 15.101 8.782 1.00 25.14 N ATOM 989 CA ARG A 61 6.800 14.228 9.934 1.00 22.24 C ATOM 990 C ARG A 61 5.872 13.018 9.861 1.00 62.45 C ATOM 991 O ARG A 61 4.651 13.162 9.784 1.00 51.11 O ATOM 992 CB ARG A 61 6.548 14.997 11.233 1.00 44.34 C ATOM 993 CG ARG A 61 5.205 15.705 11.271 1.00 54.34 C ATOM 994 CD ARG A 61 4.997 16.436 12.588 1.00 54.23 C ATOM 995 NE ARG A 61 3.581 16.593 12.909 1.00 11.44 N ATOM 996 CZ ARG A 61 3.135 17.335 13.916 1.00 14.24 C ATOM 997 NH1 ARG A 61 3.988 17.985 14.695 1.00 32.11 N ATOM 998 NH2 ARG A 61 1.831 17.429 14.146 1.00 71.24 N ATOM 0 H ARG A 61 6.113 15.969 8.988 1.00 25.14 H new ATOM 0 HA ARG A 61 7.832 13.876 9.922 1.00 22.24 H new ATOM 0 HB2 ARG A 61 6.608 14.304 12.073 1.00 44.34 H new ATOM 0 HB3 ARG A 61 7.341 15.733 11.369 1.00 44.34 H new ATOM 0 HG2 ARG A 61 5.143 16.415 10.446 1.00 54.34 H new ATOM 0 HG3 ARG A 61 4.405 14.978 11.127 1.00 54.34 H new ATOM 0 HD2 ARG A 61 5.492 15.887 13.389 1.00 54.23 H new ATOM 0 HD3 ARG A 61 5.468 17.418 12.536 1.00 54.23 H new ATOM 0 HE ARG A 61 2.898 16.107 12.328 1.00 11.44 H new ATOM 0 HH11 ARG A 61 4.991 17.916 14.522 1.00 32.11 H new ATOM 0 HH12 ARG A 61 3.642 18.554 15.467 1.00 32.11 H new ATOM 0 HH21 ARG A 61 1.171 16.931 13.549 1.00 71.24 H new ATOM 0 HH22 ARG A 61 1.489 17.999 14.920 1.00 71.24 H new ATOM 1012 N CYS A 62 6.459 11.826 9.882 1.00 14.52 N ATOM 1013 CA CYS A 62 5.686 10.591 9.816 1.00 5.51 C ATOM 1014 C CYS A 62 5.093 10.249 11.179 1.00 35.55 C ATOM 1015 O CYS A 62 5.679 10.521 12.227 1.00 24.14 O ATOM 1016 CB CYS A 62 6.568 9.440 9.328 1.00 32.41 C ATOM 1017 SG CYS A 62 7.910 9.953 8.209 1.00 44.40 S ATOM 0 H CYS A 62 7.468 11.689 9.944 1.00 14.52 H new ATOM 0 HA CYS A 62 4.869 10.739 9.110 1.00 5.51 H new ATOM 0 HB2 CYS A 62 7.002 8.938 10.192 1.00 32.41 H new ATOM 0 HB3 CYS A 62 5.942 8.709 8.816 1.00 32.41 H new ATOM 1022 N PRO A 63 3.899 9.637 11.167 1.00 12.31 N ATOM 1023 CA PRO A 63 3.198 9.243 12.393 1.00 14.32 C ATOM 1024 C PRO A 63 3.891 8.090 13.111 1.00 21.21 C ATOM 1025 O PRO A 63 4.031 8.102 14.335 1.00 42.31 O ATOM 1026 CB PRO A 63 1.820 8.808 11.890 1.00 71.42 C ATOM 1027 CG PRO A 63 2.045 8.394 10.476 1.00 41.30 C ATOM 1028 CD PRO A 63 3.141 9.282 9.955 1.00 40.15 C ATOM 0 HA PRO A 63 3.164 10.053 13.122 1.00 14.32 H new ATOM 0 HB2 PRO A 63 1.423 7.985 12.485 1.00 71.42 H new ATOM 0 HB3 PRO A 63 1.100 9.624 11.954 1.00 71.42 H new ATOM 0 HG2 PRO A 63 2.332 7.344 10.418 1.00 41.30 H new ATOM 0 HG3 PRO A 63 1.136 8.509 9.886 1.00 41.30 H new ATOM 0 HD2 PRO A 63 3.766 8.764 9.228 1.00 40.15 H new ATOM 0 HD3 PRO A 63 2.740 10.166 9.459 1.00 40.15 H new ATOM 1036 N HIS A 64 4.323 7.095 12.344 1.00 64.21 N ATOM 1037 CA HIS A 64 5.003 5.934 12.908 1.00 62.10 C ATOM 1038 C HIS A 64 6.348 6.331 13.509 1.00 34.42 C ATOM 1039 O HIS A 64 6.972 5.551 14.226 1.00 63.11 O ATOM 1040 CB HIS A 64 5.207 4.865 11.834 1.00 21.43 C ATOM 1041 CG HIS A 64 4.059 3.909 11.715 1.00 22.21 C ATOM 1042 ND1 HIS A 64 4.223 2.564 11.461 1.00 4.15 N ATOM 1043 CD2 HIS A 64 2.725 4.111 11.819 1.00 64.44 C ATOM 1044 CE1 HIS A 64 3.039 1.980 11.412 1.00 42.22 C ATOM 1045 NE2 HIS A 64 2.113 2.897 11.625 1.00 4.32 N ATOM 0 H HIS A 64 4.215 7.069 11.330 1.00 64.21 H new ATOM 0 HA HIS A 64 4.376 5.527 13.701 1.00 62.10 H new ATOM 0 HB2 HIS A 64 5.364 5.353 10.872 1.00 21.43 H new ATOM 0 HB3 HIS A 64 6.114 4.304 12.059 1.00 21.43 H new ATOM 0 HD2 HIS A 64 2.233 5.052 12.018 1.00 64.44 H new ATOM 0 HE1 HIS A 64 2.859 0.931 11.229 1.00 42.22 H new ATOM 0 HE2 HIS A 64 1.107 2.731 11.643 1.00 4.32 H new ATOM 1054 N ASN A 65 6.787 7.550 13.211 1.00 31.32 N ATOM 1055 CA ASN A 65 8.059 8.049 13.720 1.00 0.45 C ATOM 1056 C ASN A 65 7.974 9.542 14.025 1.00 11.05 C ATOM 1057 O ASN A 65 7.973 10.372 13.117 1.00 51.15 O ATOM 1058 CB ASN A 65 9.177 7.787 12.710 1.00 72.33 C ATOM 1059 CG ASN A 65 9.268 6.325 12.316 1.00 61.33 C ATOM 1060 OD1 ASN A 65 9.117 5.435 13.152 1.00 62.52 O ATOM 1061 ND2 ASN A 65 9.515 6.072 11.036 1.00 45.32 N ATOM 0 H ASN A 65 6.281 8.210 12.620 1.00 31.32 H new ATOM 0 HA ASN A 65 8.284 7.518 14.645 1.00 0.45 H new ATOM 0 HB2 ASN A 65 9.007 8.391 11.819 1.00 72.33 H new ATOM 0 HB3 ASN A 65 10.129 8.106 13.134 1.00 72.33 H new ATOM 0 HD21 ASN A 65 9.586 5.108 10.711 1.00 45.32 H new ATOM 0 HD22 ASN A 65 9.633 6.842 10.378 1.00 45.32 H new ATOM 1068 N ARG A 66 7.902 9.875 15.310 1.00 43.14 N ATOM 1069 CA ARG A 66 7.817 11.267 15.735 1.00 52.14 C ATOM 1070 C ARG A 66 9.156 11.975 15.552 1.00 3.22 C ATOM 1071 O ARG A 66 9.304 13.148 15.898 1.00 24.53 O ATOM 1072 CB ARG A 66 7.379 11.350 17.199 1.00 62.34 C ATOM 1073 CG ARG A 66 8.293 10.598 18.152 1.00 72.35 C ATOM 1074 CD ARG A 66 7.579 10.246 19.447 1.00 2.31 C ATOM 1075 NE ARG A 66 6.693 9.095 19.289 1.00 52.22 N ATOM 1076 CZ ARG A 66 7.101 7.835 19.385 1.00 32.13 C ATOM 1077 NH1 ARG A 66 8.374 7.564 19.638 1.00 15.24 N ATOM 1078 NH2 ARG A 66 6.234 6.842 19.228 1.00 0.23 N ATOM 0 H ARG A 66 7.901 9.200 16.074 1.00 43.14 H new ATOM 0 HA ARG A 66 7.075 11.766 15.112 1.00 52.14 H new ATOM 0 HB2 ARG A 66 7.339 12.397 17.498 1.00 62.34 H new ATOM 0 HB3 ARG A 66 6.368 10.953 17.290 1.00 62.34 H new ATOM 0 HG2 ARG A 66 8.650 9.686 17.673 1.00 72.35 H new ATOM 0 HG3 ARG A 66 9.170 11.206 18.373 1.00 72.35 H new ATOM 0 HD2 ARG A 66 8.316 10.032 20.221 1.00 2.31 H new ATOM 0 HD3 ARG A 66 7.000 11.105 19.787 1.00 2.31 H new ATOM 0 HE ARG A 66 5.707 9.269 19.094 1.00 52.22 H new ATOM 0 HH11 ARG A 66 9.043 8.324 19.759 1.00 15.24 H new ATOM 0 HH12 ARG A 66 8.684 6.595 19.711 1.00 15.24 H new ATOM 0 HH21 ARG A 66 5.254 7.047 19.033 1.00 0.23 H new ATOM 0 HH22 ARG A 66 6.548 5.874 19.302 1.00 0.23 H new ATOM 1092 N THR A 67 10.132 11.254 15.008 1.00 35.34 N ATOM 1093 CA THR A 67 11.458 11.811 14.781 1.00 43.43 C ATOM 1094 C THR A 67 11.925 11.558 13.353 1.00 64.40 C ATOM 1095 O THR A 67 12.539 12.422 12.726 1.00 43.32 O ATOM 1096 CB THR A 67 12.491 11.219 15.759 1.00 11.42 C ATOM 1097 OG1 THR A 67 13.792 11.747 15.477 1.00 45.11 O ATOM 1098 CG2 THR A 67 12.522 9.701 15.661 1.00 72.45 C ATOM 0 H THR A 67 10.028 10.282 14.717 1.00 35.34 H new ATOM 0 HA THR A 67 11.382 12.885 14.950 1.00 43.43 H new ATOM 0 HB THR A 67 12.199 11.496 16.772 1.00 11.42 H new ATOM 0 HG1 THR A 67 14.442 11.367 16.104 1.00 45.11 H new ATOM 0 HG21 THR A 67 13.259 9.306 16.361 1.00 72.45 H new ATOM 0 HG22 THR A 67 11.538 9.300 15.905 1.00 72.45 H new ATOM 0 HG23 THR A 67 12.791 9.407 14.646 1.00 72.45 H new ATOM 1106 N LEU A 68 11.631 10.367 12.842 1.00 31.41 N ATOM 1107 CA LEU A 68 12.020 9.998 11.485 1.00 1.52 C ATOM 1108 C LEU A 68 11.245 10.816 10.456 1.00 24.21 C ATOM 1109 O LEU A 68 10.020 10.908 10.517 1.00 25.14 O ATOM 1110 CB LEU A 68 11.782 8.505 11.252 1.00 53.40 C ATOM 1111 CG LEU A 68 12.720 7.823 10.256 1.00 54.33 C ATOM 1112 CD1 LEU A 68 12.656 6.312 10.411 1.00 32.30 C ATOM 1113 CD2 LEU A 68 12.372 8.230 8.831 1.00 74.11 C ATOM 0 H LEU A 68 11.124 9.640 13.347 1.00 31.41 H new ATOM 0 HA LEU A 68 13.082 10.212 11.367 1.00 1.52 H new ATOM 0 HB2 LEU A 68 11.865 7.991 12.209 1.00 53.40 H new ATOM 0 HB3 LEU A 68 10.757 8.371 10.906 1.00 53.40 H new ATOM 0 HG LEU A 68 13.739 8.146 10.467 1.00 54.33 H new ATOM 0 HD11 LEU A 68 13.330 5.844 9.694 1.00 32.30 H new ATOM 0 HD12 LEU A 68 12.954 6.037 11.423 1.00 32.30 H new ATOM 0 HD13 LEU A 68 11.637 5.970 10.228 1.00 32.30 H new ATOM 0 HD21 LEU A 68 13.050 7.735 8.135 1.00 74.11 H new ATOM 0 HD22 LEU A 68 11.346 7.936 8.609 1.00 74.11 H new ATOM 0 HD23 LEU A 68 12.471 9.311 8.727 1.00 74.11 H new ATOM 1125 N ASN A 69 11.969 11.405 9.510 1.00 51.11 N ATOM 1126 CA ASN A 69 11.349 12.213 8.465 1.00 3.04 C ATOM 1127 C ASN A 69 11.775 11.733 7.081 1.00 20.51 C ATOM 1128 O ASN A 69 12.494 12.429 6.366 1.00 65.30 O ATOM 1129 CB ASN A 69 11.722 13.686 8.644 1.00 74.44 C ATOM 1130 CG ASN A 69 13.211 13.886 8.842 1.00 62.22 C ATOM 1131 OD1 ASN A 69 13.625 14.043 10.094 1.00 1.32 O flip ATOM 1132 ND2 ASN A 69 13.980 13.900 7.881 1.00 24.35 N flip ATOM 0 H ASN A 69 12.985 11.338 9.445 1.00 51.11 H new ATOM 0 HA ASN A 69 10.268 12.105 8.550 1.00 3.04 H new ATOM 0 HB2 ASN A 69 11.396 14.249 7.770 1.00 74.44 H new ATOM 0 HB3 ASN A 69 11.187 14.092 9.502 1.00 74.44 H new ATOM 0 HD21 ASN A 69 13.617 13.775 6.936 1.00 24.35 H new ATOM 0 HD22 ASN A 69 14.980 14.036 8.030 1.00 24.35 H new ATOM 1139 N ASN A 70 11.324 10.539 6.711 1.00 22.22 N ATOM 1140 CA ASN A 70 11.658 9.965 5.413 1.00 64.23 C ATOM 1141 C ASN A 70 10.399 9.522 4.673 1.00 40.31 C ATOM 1142 O ASN A 70 10.450 8.656 3.799 1.00 11.23 O ATOM 1143 CB ASN A 70 12.605 8.776 5.585 1.00 5.21 C ATOM 1144 CG ASN A 70 11.879 7.516 6.016 1.00 0.31 C ATOM 1145 OD1 ASN A 70 10.722 7.564 6.434 1.00 55.14 O ATOM 1146 ND2 ASN A 70 12.558 6.379 5.917 1.00 30.03 N ATOM 0 H ASN A 70 10.727 9.950 7.291 1.00 22.22 H new ATOM 0 HA ASN A 70 12.155 10.734 4.822 1.00 64.23 H new ATOM 0 HB2 ASN A 70 13.124 8.589 4.645 1.00 5.21 H new ATOM 0 HB3 ASN A 70 13.366 9.025 6.325 1.00 5.21 H new ATOM 0 HD21 ASN A 70 12.122 5.499 6.193 1.00 30.03 H new ATOM 0 HD22 ASN A 70 13.515 6.386 5.565 1.00 30.03 H new ATOM 1153 N CYS A 71 9.269 10.124 5.028 1.00 75.12 N ATOM 1154 CA CYS A 71 7.996 9.794 4.399 1.00 54.33 C ATOM 1155 C CYS A 71 7.391 11.020 3.720 1.00 71.22 C ATOM 1156 O CYS A 71 7.586 12.151 4.166 1.00 32.32 O ATOM 1157 CB CYS A 71 7.019 9.239 5.438 1.00 62.23 C ATOM 1158 SG CYS A 71 7.822 8.369 6.822 1.00 33.53 S ATOM 0 H CYS A 71 9.209 10.843 5.749 1.00 75.12 H new ATOM 0 HA CYS A 71 8.180 9.034 3.640 1.00 54.33 H new ATOM 0 HB2 CYS A 71 6.423 10.060 5.836 1.00 62.23 H new ATOM 0 HB3 CYS A 71 6.329 8.555 4.944 1.00 62.23 H new ATOM 1163 N HIS A 72 6.655 10.786 2.637 1.00 35.01 N ATOM 1164 CA HIS A 72 6.020 11.871 1.896 1.00 20.33 C ATOM 1165 C HIS A 72 4.533 11.594 1.696 1.00 33.15 C ATOM 1166 O HIS A 72 4.153 10.569 1.131 1.00 61.14 O ATOM 1167 CB HIS A 72 6.703 12.059 0.541 1.00 71.10 C ATOM 1168 CG HIS A 72 8.162 11.723 0.554 1.00 13.43 C ATOM 1169 ND1 HIS A 72 9.133 12.569 0.063 1.00 53.55 N ATOM 1170 CD2 HIS A 72 8.814 10.626 1.005 1.00 4.35 C ATOM 1171 CE1 HIS A 72 10.319 12.007 0.209 1.00 65.22 C ATOM 1172 NE2 HIS A 72 10.154 10.827 0.778 1.00 12.33 N ATOM 0 H HIS A 72 6.484 9.856 2.254 1.00 35.01 H new ATOM 0 HA HIS A 72 6.126 12.787 2.478 1.00 20.33 H new ATOM 0 HB2 HIS A 72 6.202 11.435 -0.199 1.00 71.10 H new ATOM 0 HB3 HIS A 72 6.580 13.094 0.222 1.00 71.10 H new ATOM 0 HD1 HIS A 72 8.962 13.486 -0.349 1.00 53.55 H new ATOM 0 HD2 HIS A 72 8.365 9.755 1.459 1.00 4.35 H new ATOM 0 HE1 HIS A 72 11.264 12.439 -0.087 1.00 65.22 H new ATOM 1181 N ARG A 73 3.696 12.515 2.165 1.00 64.00 N ATOM 1182 CA ARG A 73 2.251 12.369 2.038 1.00 21.34 C ATOM 1183 C ARG A 73 1.750 13.013 0.750 1.00 71.23 C ATOM 1184 O ARG A 73 2.349 13.963 0.245 1.00 1.03 O ATOM 1185 CB ARG A 73 1.547 12.997 3.243 1.00 23.40 C ATOM 1186 CG ARG A 73 0.053 12.720 3.287 1.00 20.44 C ATOM 1187 CD ARG A 73 -0.704 13.852 3.962 1.00 44.12 C ATOM 1188 NE ARG A 73 -0.486 15.131 3.292 1.00 12.30 N ATOM 1189 CZ ARG A 73 -0.772 16.307 3.840 1.00 13.33 C ATOM 1190 NH1 ARG A 73 -1.285 16.365 5.062 1.00 75.22 N ATOM 1191 NH2 ARG A 73 -0.546 17.428 3.167 1.00 23.34 N ATOM 0 H ARG A 73 3.994 13.369 2.636 1.00 64.00 H new ATOM 0 HA ARG A 73 2.020 11.304 2.004 1.00 21.34 H new ATOM 0 HB2 ARG A 73 2.005 12.621 4.158 1.00 23.40 H new ATOM 0 HB3 ARG A 73 1.708 14.075 3.226 1.00 23.40 H new ATOM 0 HG2 ARG A 73 -0.323 12.584 2.273 1.00 20.44 H new ATOM 0 HG3 ARG A 73 -0.130 11.788 3.823 1.00 20.44 H new ATOM 0 HD2 ARG A 73 -1.770 13.623 3.968 1.00 44.12 H new ATOM 0 HD3 ARG A 73 -0.389 13.929 5.003 1.00 44.12 H new ATOM 0 HE ARG A 73 -0.092 15.121 2.351 1.00 12.30 H new ATOM 0 HH11 ARG A 73 -1.461 15.506 5.583 1.00 75.22 H new ATOM 0 HH12 ARG A 73 -1.504 17.269 5.481 1.00 75.22 H new ATOM 0 HH21 ARG A 73 -0.152 17.388 2.227 1.00 23.34 H new ATOM 0 HH22 ARG A 73 -0.766 18.330 3.590 1.00 23.34 H new ATOM 1205 N SER A 74 0.648 12.490 0.222 1.00 4.54 N ATOM 1206 CA SER A 74 0.068 13.011 -1.010 1.00 50.23 C ATOM 1207 C SER A 74 -0.536 14.394 -0.784 1.00 1.23 C ATOM 1208 O SER A 74 -1.245 14.621 0.198 1.00 65.14 O ATOM 1209 CB SER A 74 -1.002 12.055 -1.540 1.00 22.02 C ATOM 1210 OG SER A 74 -2.186 12.138 -0.767 1.00 71.43 O ATOM 0 H SER A 74 0.139 11.705 0.629 1.00 4.54 H new ATOM 0 HA SER A 74 0.865 13.098 -1.749 1.00 50.23 H new ATOM 0 HB2 SER A 74 -1.225 12.294 -2.580 1.00 22.02 H new ATOM 0 HB3 SER A 74 -0.623 11.033 -1.522 1.00 22.02 H new ATOM 0 HG SER A 74 -2.920 12.466 -1.327 1.00 71.43 H new ATOM 1216 N ARG A 75 -0.250 15.315 -1.699 1.00 3.23 N ATOM 1217 CA ARG A 75 -0.763 16.676 -1.599 1.00 34.41 C ATOM 1218 C ARG A 75 -2.272 16.705 -1.822 1.00 54.14 C ATOM 1219 O ARG A 75 -3.003 17.392 -1.108 1.00 10.44 O ATOM 1220 CB ARG A 75 -0.069 17.581 -2.618 1.00 32.30 C ATOM 1221 CG ARG A 75 -0.357 17.204 -4.064 1.00 5.55 C ATOM 1222 CD ARG A 75 0.631 17.859 -5.016 1.00 22.53 C ATOM 1223 NE ARG A 75 0.166 19.165 -5.475 1.00 3.20 N ATOM 1224 CZ ARG A 75 0.822 19.909 -6.358 1.00 54.32 C ATOM 1225 NH1 ARG A 75 1.965 19.480 -6.874 1.00 74.22 N ATOM 1226 NH2 ARG A 75 0.334 21.088 -6.726 1.00 45.22 N ATOM 0 H ARG A 75 0.334 15.143 -2.517 1.00 3.23 H new ATOM 0 HA ARG A 75 -0.554 17.044 -0.595 1.00 34.41 H new ATOM 0 HB2 ARG A 75 -0.384 18.611 -2.450 1.00 32.30 H new ATOM 0 HB3 ARG A 75 1.007 17.545 -2.449 1.00 32.30 H new ATOM 0 HG2 ARG A 75 -0.308 16.121 -4.176 1.00 5.55 H new ATOM 0 HG3 ARG A 75 -1.371 17.506 -4.325 1.00 5.55 H new ATOM 0 HD2 ARG A 75 1.594 17.972 -4.518 1.00 22.53 H new ATOM 0 HD3 ARG A 75 0.791 17.209 -5.876 1.00 22.53 H new ATOM 0 HE ARG A 75 -0.710 19.525 -5.097 1.00 3.20 H new ATOM 0 HH11 ARG A 75 2.344 18.575 -6.593 1.00 74.22 H new ATOM 0 HH12 ARG A 75 2.466 20.054 -7.552 1.00 74.22 H new ATOM 0 HH21 ARG A 75 -0.545 21.422 -6.330 1.00 45.22 H new ATOM 0 HH22 ARG A 75 0.838 21.659 -7.404 1.00 45.22 H new ATOM 1240 N PHE A 76 -2.734 15.955 -2.818 1.00 25.05 N ATOM 1241 CA PHE A 76 -4.156 15.896 -3.135 1.00 65.24 C ATOM 1242 C PHE A 76 -4.796 14.649 -2.533 1.00 11.05 C ATOM 1243 O PHE A 76 -4.168 13.594 -2.450 1.00 2.02 O ATOM 1244 CB PHE A 76 -4.362 15.906 -4.651 1.00 52.23 C ATOM 1245 CG PHE A 76 -3.949 14.627 -5.321 1.00 51.33 C ATOM 1246 CD1 PHE A 76 -2.610 14.337 -5.526 1.00 3.32 C ATOM 1247 CD2 PHE A 76 -4.902 13.716 -5.749 1.00 24.04 C ATOM 1248 CE1 PHE A 76 -2.228 13.160 -6.141 1.00 44.13 C ATOM 1249 CE2 PHE A 76 -4.524 12.537 -6.365 1.00 14.22 C ATOM 1250 CZ PHE A 76 -3.186 12.259 -6.563 1.00 44.52 C ATOM 0 H PHE A 76 -2.144 15.380 -3.419 1.00 25.05 H new ATOM 0 HA PHE A 76 -4.636 16.774 -2.703 1.00 65.24 H new ATOM 0 HB2 PHE A 76 -5.414 16.096 -4.865 1.00 52.23 H new ATOM 0 HB3 PHE A 76 -3.795 16.732 -5.081 1.00 52.23 H new ATOM 0 HD1 PHE A 76 -1.856 15.039 -5.201 1.00 3.32 H new ATOM 0 HD2 PHE A 76 -5.950 13.929 -5.600 1.00 24.04 H new ATOM 0 HE1 PHE A 76 -1.180 12.945 -6.292 1.00 44.13 H new ATOM 0 HE2 PHE A 76 -5.276 11.833 -6.691 1.00 14.22 H new ATOM 0 HZ PHE A 76 -2.890 11.340 -7.046 1.00 44.52 H new ATOM 1260 N ARG A 77 -6.051 14.780 -2.113 1.00 1.50 N ATOM 1261 CA ARG A 77 -6.777 13.666 -1.515 1.00 62.42 C ATOM 1262 C ARG A 77 -7.328 12.737 -2.593 1.00 65.43 C ATOM 1263 O ARG A 77 -7.882 13.190 -3.594 1.00 34.23 O ATOM 1264 CB ARG A 77 -7.919 14.184 -0.640 1.00 2.31 C ATOM 1265 CG ARG A 77 -7.450 14.832 0.653 1.00 33.41 C ATOM 1266 CD ARG A 77 -8.623 15.319 1.489 1.00 34.40 C ATOM 1267 NE ARG A 77 -9.046 16.664 1.107 1.00 22.34 N ATOM 1268 CZ ARG A 77 -9.748 17.466 1.900 1.00 71.11 C ATOM 1269 NH1 ARG A 77 -10.103 17.061 3.112 1.00 62.41 N ATOM 1270 NH2 ARG A 77 -10.096 18.676 1.481 1.00 43.04 N ATOM 0 H ARG A 77 -6.585 15.646 -2.176 1.00 1.50 H new ATOM 0 HA ARG A 77 -6.081 13.102 -0.894 1.00 62.42 H new ATOM 0 HB2 ARG A 77 -8.502 14.908 -1.209 1.00 2.31 H new ATOM 0 HB3 ARG A 77 -8.586 13.356 -0.400 1.00 2.31 H new ATOM 0 HG2 ARG A 77 -6.864 14.116 1.229 1.00 33.41 H new ATOM 0 HG3 ARG A 77 -6.792 15.670 0.423 1.00 33.41 H new ATOM 0 HD2 ARG A 77 -9.460 14.630 1.376 1.00 34.40 H new ATOM 0 HD3 ARG A 77 -8.345 15.312 2.543 1.00 34.40 H new ATOM 0 HE ARG A 77 -8.788 17.006 0.181 1.00 22.34 H new ATOM 0 HH11 ARG A 77 -9.837 16.132 3.437 1.00 62.41 H new ATOM 0 HH12 ARG A 77 -10.642 17.679 3.719 1.00 62.41 H new ATOM 0 HH21 ARG A 77 -9.825 18.991 0.550 1.00 43.04 H new ATOM 0 HH22 ARG A 77 -10.635 19.291 2.090 1.00 43.04 H new ATOM 1284 N VAL A 78 -7.172 11.434 -2.380 1.00 65.35 N ATOM 1285 CA VAL A 78 -7.654 10.440 -3.333 1.00 52.33 C ATOM 1286 C VAL A 78 -8.475 9.362 -2.634 1.00 40.45 C ATOM 1287 O VAL A 78 -8.278 9.063 -1.456 1.00 65.33 O ATOM 1288 CB VAL A 78 -6.489 9.774 -4.087 1.00 64.15 C ATOM 1289 CG1 VAL A 78 -5.409 10.795 -4.411 1.00 45.31 C ATOM 1290 CG2 VAL A 78 -5.918 8.621 -3.276 1.00 1.34 C ATOM 0 H VAL A 78 -6.716 11.042 -1.556 1.00 65.35 H new ATOM 0 HA VAL A 78 -8.285 10.967 -4.048 1.00 52.33 H new ATOM 0 HB VAL A 78 -6.870 9.373 -5.026 1.00 64.15 H new ATOM 0 HG11 VAL A 78 -4.594 10.306 -4.944 1.00 45.31 H new ATOM 0 HG12 VAL A 78 -5.829 11.583 -5.036 1.00 45.31 H new ATOM 0 HG13 VAL A 78 -5.029 11.229 -3.486 1.00 45.31 H new ATOM 0 HG21 VAL A 78 -5.096 8.162 -3.825 1.00 1.34 H new ATOM 0 HG22 VAL A 78 -5.552 8.995 -2.320 1.00 1.34 H new ATOM 0 HG23 VAL A 78 -6.696 7.878 -3.101 1.00 1.34 H new ATOM 1300 N PRO A 79 -9.420 8.765 -3.376 1.00 4.44 N ATOM 1301 CA PRO A 79 -10.290 7.710 -2.847 1.00 61.23 C ATOM 1302 C PRO A 79 -9.534 6.412 -2.587 1.00 20.54 C ATOM 1303 O PRO A 79 -9.099 5.736 -3.521 1.00 74.14 O ATOM 1304 CB PRO A 79 -11.323 7.514 -3.960 1.00 25.44 C ATOM 1305 CG PRO A 79 -10.633 7.960 -5.201 1.00 65.03 C ATOM 1306 CD PRO A 79 -9.711 9.073 -4.786 1.00 5.41 C ATOM 0 HA PRO A 79 -10.725 7.983 -1.885 1.00 61.23 H new ATOM 0 HB2 PRO A 79 -11.633 6.472 -4.033 1.00 25.44 H new ATOM 0 HB3 PRO A 79 -12.222 8.102 -3.774 1.00 25.44 H new ATOM 0 HG2 PRO A 79 -10.076 7.140 -5.654 1.00 65.03 H new ATOM 0 HG3 PRO A 79 -11.352 8.305 -5.944 1.00 65.03 H new ATOM 0 HD2 PRO A 79 -8.803 9.090 -5.390 1.00 5.41 H new ATOM 0 HD3 PRO A 79 -10.184 10.049 -4.895 1.00 5.41 H new ATOM 1314 N LEU A 80 -9.380 6.067 -1.314 1.00 13.44 N ATOM 1315 CA LEU A 80 -8.677 4.848 -0.930 1.00 14.32 C ATOM 1316 C LEU A 80 -9.651 3.804 -0.393 1.00 5.14 C ATOM 1317 O LEU A 80 -10.841 4.075 -0.227 1.00 44.43 O ATOM 1318 CB LEU A 80 -7.613 5.160 0.124 1.00 61.10 C ATOM 1319 CG LEU A 80 -8.115 5.813 1.412 1.00 11.11 C ATOM 1320 CD1 LEU A 80 -9.240 4.992 2.024 1.00 71.34 C ATOM 1321 CD2 LEU A 80 -6.974 5.981 2.405 1.00 52.31 C ATOM 0 H LEU A 80 -9.733 6.615 -0.529 1.00 13.44 H new ATOM 0 HA LEU A 80 -8.192 4.442 -1.818 1.00 14.32 H new ATOM 0 HB2 LEU A 80 -7.106 4.231 0.385 1.00 61.10 H new ATOM 0 HB3 LEU A 80 -6.867 5.815 -0.325 1.00 61.10 H new ATOM 0 HG LEU A 80 -8.505 6.801 1.167 1.00 11.11 H new ATOM 0 HD11 LEU A 80 -9.584 5.472 2.940 1.00 71.34 H new ATOM 0 HD12 LEU A 80 -10.067 4.924 1.317 1.00 71.34 H new ATOM 0 HD13 LEU A 80 -8.876 3.991 2.254 1.00 71.34 H new ATOM 0 HD21 LEU A 80 -7.350 6.447 3.316 1.00 52.31 H new ATOM 0 HD22 LEU A 80 -6.553 5.004 2.644 1.00 52.31 H new ATOM 0 HD23 LEU A 80 -6.200 6.612 1.967 1.00 52.31 H new ATOM 1333 N LEU A 81 -9.137 2.608 -0.121 1.00 54.24 N ATOM 1334 CA LEU A 81 -9.960 1.523 0.399 1.00 31.32 C ATOM 1335 C LEU A 81 -9.333 0.915 1.650 1.00 62.25 C ATOM 1336 O LEU A 81 -8.109 0.811 1.755 1.00 75.15 O ATOM 1337 CB LEU A 81 -10.151 0.443 -0.668 1.00 3.44 C ATOM 1338 CG LEU A 81 -11.469 -0.329 -0.613 1.00 63.13 C ATOM 1339 CD1 LEU A 81 -11.608 -1.056 0.716 1.00 70.35 C ATOM 1340 CD2 LEU A 81 -12.646 0.609 -0.836 1.00 25.22 C ATOM 0 H LEU A 81 -8.155 2.367 -0.252 1.00 54.24 H new ATOM 0 HA LEU A 81 -10.933 1.935 0.667 1.00 31.32 H new ATOM 0 HB2 LEU A 81 -10.068 0.911 -1.649 1.00 3.44 H new ATOM 0 HB3 LEU A 81 -9.331 -0.271 -0.585 1.00 3.44 H new ATOM 0 HG LEU A 81 -11.466 -1.072 -1.411 1.00 63.13 H new ATOM 0 HD11 LEU A 81 -12.552 -1.600 0.736 1.00 70.35 H new ATOM 0 HD12 LEU A 81 -10.783 -1.758 0.835 1.00 70.35 H new ATOM 0 HD13 LEU A 81 -11.589 -0.332 1.531 1.00 70.35 H new ATOM 0 HD21 LEU A 81 -13.576 0.042 -0.794 1.00 25.22 H new ATOM 0 HD22 LEU A 81 -12.652 1.375 -0.061 1.00 25.22 H new ATOM 0 HD23 LEU A 81 -12.554 1.082 -1.814 1.00 25.22 H new ATOM 1352 N HIS A 82 -10.177 0.511 2.593 1.00 5.00 N ATOM 1353 CA HIS A 82 -9.704 -0.091 3.835 1.00 14.05 C ATOM 1354 C HIS A 82 -10.128 -1.554 3.926 1.00 53.32 C ATOM 1355 O HIS A 82 -11.310 -1.877 3.800 1.00 64.43 O ATOM 1356 CB HIS A 82 -10.241 0.684 5.039 1.00 32.21 C ATOM 1357 CG HIS A 82 -9.324 0.665 6.222 1.00 42.42 C ATOM 1358 ND1 HIS A 82 -8.597 1.764 6.629 1.00 72.15 N ATOM 1359 CD2 HIS A 82 -9.018 -0.329 7.089 1.00 40.33 C ATOM 1360 CE1 HIS A 82 -7.882 1.447 7.693 1.00 1.03 C ATOM 1361 NE2 HIS A 82 -8.120 0.183 7.994 1.00 53.10 N ATOM 0 H HIS A 82 -11.191 0.589 2.522 1.00 5.00 H new ATOM 0 HA HIS A 82 -8.615 -0.046 3.840 1.00 14.05 H new ATOM 0 HB2 HIS A 82 -10.419 1.718 4.745 1.00 32.21 H new ATOM 0 HB3 HIS A 82 -11.204 0.265 5.330 1.00 32.21 H new ATOM 0 HD2 HIS A 82 -9.407 -1.336 7.072 1.00 40.33 H new ATOM 0 HE1 HIS A 82 -7.216 2.109 8.226 1.00 1.03 H new ATOM 0 HE2 HIS A 82 -7.705 -0.330 8.772 1.00 53.10 H new ATOM 1370 N CYS A 83 -9.157 -2.433 4.146 1.00 65.15 N ATOM 1371 CA CYS A 83 -9.428 -3.862 4.252 1.00 33.14 C ATOM 1372 C CYS A 83 -8.685 -4.470 5.438 1.00 50.44 C ATOM 1373 O CYS A 83 -7.748 -5.248 5.263 1.00 41.04 O ATOM 1374 CB CYS A 83 -9.024 -4.577 2.961 1.00 1.10 C ATOM 1375 SG CYS A 83 -10.086 -4.190 1.533 1.00 43.34 S ATOM 0 H CYS A 83 -8.175 -2.181 4.254 1.00 65.15 H new ATOM 0 HA CYS A 83 -10.498 -3.992 4.411 1.00 33.14 H new ATOM 0 HB2 CYS A 83 -7.995 -4.311 2.718 1.00 1.10 H new ATOM 0 HB3 CYS A 83 -9.043 -5.653 3.133 1.00 1.10 H new ATOM 1380 N ASP A 84 -9.111 -4.109 6.644 1.00 63.15 N ATOM 1381 CA ASP A 84 -8.486 -4.619 7.859 1.00 35.33 C ATOM 1382 C ASP A 84 -8.970 -6.033 8.166 1.00 63.40 C ATOM 1383 O ASP A 84 -10.121 -6.380 7.892 1.00 4.34 O ATOM 1384 CB ASP A 84 -8.790 -3.695 9.040 1.00 34.40 C ATOM 1385 CG ASP A 84 -8.605 -4.386 10.377 1.00 51.11 C ATOM 1386 OD1 ASP A 84 -7.544 -5.013 10.578 1.00 54.31 O ATOM 1387 OD2 ASP A 84 -9.521 -4.299 11.222 1.00 64.23 O ATOM 0 H ASP A 84 -9.886 -3.466 6.806 1.00 63.15 H new ATOM 0 HA ASP A 84 -7.408 -4.650 7.699 1.00 35.33 H new ATOM 0 HB2 ASP A 84 -8.139 -2.822 8.992 1.00 34.40 H new ATOM 0 HB3 ASP A 84 -9.815 -3.333 8.960 1.00 34.40 H new ATOM 1392 N LEU A 85 -8.086 -6.845 8.733 1.00 50.14 N ATOM 1393 CA LEU A 85 -8.421 -8.223 9.076 1.00 14.53 C ATOM 1394 C LEU A 85 -9.533 -8.269 10.119 1.00 13.13 C ATOM 1395 O LEU A 85 -9.319 -7.928 11.283 1.00 14.14 O ATOM 1396 CB LEU A 85 -7.185 -8.955 9.599 1.00 10.23 C ATOM 1397 CG LEU A 85 -7.279 -10.480 9.649 1.00 43.31 C ATOM 1398 CD1 LEU A 85 -7.467 -11.049 8.252 1.00 33.52 C ATOM 1399 CD2 LEU A 85 -6.038 -11.070 10.304 1.00 2.23 C ATOM 0 H LEU A 85 -7.131 -6.573 8.965 1.00 50.14 H new ATOM 0 HA LEU A 85 -8.774 -8.720 8.173 1.00 14.53 H new ATOM 0 HB2 LEU A 85 -6.335 -8.684 8.973 1.00 10.23 H new ATOM 0 HB3 LEU A 85 -6.970 -8.591 10.604 1.00 10.23 H new ATOM 0 HG LEU A 85 -8.147 -10.752 10.250 1.00 43.31 H new ATOM 0 HD11 LEU A 85 -7.532 -12.136 8.307 1.00 33.52 H new ATOM 0 HD12 LEU A 85 -8.385 -10.652 7.818 1.00 33.52 H new ATOM 0 HD13 LEU A 85 -6.619 -10.768 7.627 1.00 33.52 H new ATOM 0 HD21 LEU A 85 -6.122 -12.156 10.331 1.00 2.23 H new ATOM 0 HD22 LEU A 85 -5.155 -10.789 9.730 1.00 2.23 H new ATOM 0 HD23 LEU A 85 -5.947 -10.688 11.321 1.00 2.23 H new ATOM 1411 N ILE A 86 -10.719 -8.693 9.696 1.00 70.13 N ATOM 1412 CA ILE A 86 -11.862 -8.786 10.594 1.00 35.31 C ATOM 1413 C ILE A 86 -11.660 -9.889 11.629 1.00 52.24 C ATOM 1414 O ILE A 86 -12.490 -10.081 12.515 1.00 10.32 O ATOM 1415 CB ILE A 86 -13.166 -9.057 9.820 1.00 11.15 C ATOM 1416 CG1 ILE A 86 -13.481 -7.888 8.884 1.00 64.53 C ATOM 1417 CG2 ILE A 86 -14.316 -9.293 10.788 1.00 75.44 C ATOM 1418 CD1 ILE A 86 -14.310 -8.284 7.682 1.00 1.31 C ATOM 0 H ILE A 86 -10.913 -8.978 8.736 1.00 70.13 H new ATOM 0 HA ILE A 86 -11.943 -7.825 11.101 1.00 35.31 H new ATOM 0 HB ILE A 86 -13.034 -9.955 9.217 1.00 11.15 H new ATOM 0 HG12 ILE A 86 -14.012 -7.118 9.444 1.00 64.53 H new ATOM 0 HG13 ILE A 86 -12.546 -7.446 8.541 1.00 64.53 H new ATOM 0 HG21 ILE A 86 -15.231 -9.483 10.227 1.00 75.44 H new ATOM 0 HG22 ILE A 86 -14.091 -10.154 11.417 1.00 75.44 H new ATOM 0 HG23 ILE A 86 -14.451 -8.411 11.414 1.00 75.44 H new ATOM 0 HD11 ILE A 86 -14.495 -7.406 7.063 1.00 1.31 H new ATOM 0 HD12 ILE A 86 -13.772 -9.032 7.100 1.00 1.31 H new ATOM 0 HD13 ILE A 86 -15.261 -8.699 8.017 1.00 1.31 H new ATOM 1430 N ASN A 87 -10.550 -10.608 11.508 1.00 4.14 N ATOM 1431 CA ASN A 87 -10.237 -11.691 12.434 1.00 30.23 C ATOM 1432 C ASN A 87 -8.973 -11.378 13.230 1.00 62.22 C ATOM 1433 O ASN A 87 -7.871 -11.806 12.886 1.00 31.01 O ATOM 1434 CB ASN A 87 -10.061 -13.006 11.673 1.00 0.01 C ATOM 1435 CG ASN A 87 -9.394 -12.810 10.325 1.00 42.30 C ATOM 1436 OD1 ASN A 87 -10.008 -12.309 9.383 1.00 13.12 O ATOM 1437 ND2 ASN A 87 -8.130 -13.203 10.228 1.00 25.32 N ATOM 0 H ASN A 87 -9.852 -10.461 10.779 1.00 4.14 H new ATOM 0 HA ASN A 87 -11.069 -11.791 13.131 1.00 30.23 H new ATOM 0 HB2 ASN A 87 -9.465 -13.693 12.274 1.00 0.01 H new ATOM 0 HB3 ASN A 87 -11.036 -13.472 11.529 1.00 0.01 H new ATOM 0 HD21 ASN A 87 -7.628 -13.095 9.346 1.00 25.32 H new ATOM 0 HD22 ASN A 87 -7.660 -13.613 11.035 1.00 25.32 H new ATOM 1444 N PRO A 88 -9.134 -10.615 14.321 1.00 34.05 N ATOM 1445 CA PRO A 88 -8.019 -10.228 15.189 1.00 63.21 C ATOM 1446 C PRO A 88 -7.462 -11.409 15.979 1.00 73.44 C ATOM 1447 O PRO A 88 -8.153 -11.989 16.815 1.00 65.41 O ATOM 1448 CB PRO A 88 -8.644 -9.200 16.136 1.00 62.14 C ATOM 1449 CG PRO A 88 -10.094 -9.542 16.161 1.00 12.14 C ATOM 1450 CD PRO A 88 -10.419 -10.070 14.791 1.00 52.03 C ATOM 0 HA PRO A 88 -7.174 -9.843 14.618 1.00 63.21 H new ATOM 0 HB2 PRO A 88 -8.205 -9.261 17.132 1.00 62.14 H new ATOM 0 HB3 PRO A 88 -8.483 -8.183 15.779 1.00 62.14 H new ATOM 0 HG2 PRO A 88 -10.306 -10.288 16.927 1.00 12.14 H new ATOM 0 HG3 PRO A 88 -10.698 -8.665 16.395 1.00 12.14 H new ATOM 0 HD2 PRO A 88 -11.191 -10.838 14.829 1.00 52.03 H new ATOM 0 HD3 PRO A 88 -10.786 -9.282 14.133 1.00 52.03 H new ATOM 1458 N GLY A 89 -6.209 -11.759 15.706 1.00 21.45 N ATOM 1459 CA GLY A 89 -5.581 -12.869 16.400 1.00 35.41 C ATOM 1460 C GLY A 89 -5.458 -14.102 15.528 1.00 73.33 C ATOM 1461 O GLY A 89 -4.814 -15.079 15.909 1.00 20.03 O ATOM 0 H GLY A 89 -5.617 -11.294 15.017 1.00 21.45 H new ATOM 0 HA2 GLY A 89 -4.590 -12.567 16.739 1.00 35.41 H new ATOM 0 HA3 GLY A 89 -6.162 -13.113 17.289 1.00 35.41 H new ATOM 1465 N ALA A 90 -6.078 -14.059 14.353 1.00 41.20 N ATOM 1466 CA ALA A 90 -6.034 -15.181 13.424 1.00 65.11 C ATOM 1467 C ALA A 90 -5.185 -14.850 12.202 1.00 55.44 C ATOM 1468 O ALA A 90 -5.400 -13.832 11.544 1.00 43.25 O ATOM 1469 CB ALA A 90 -7.443 -15.572 13.001 1.00 2.30 C ATOM 0 H ALA A 90 -6.617 -13.259 14.022 1.00 41.20 H new ATOM 0 HA ALA A 90 -5.573 -16.026 13.935 1.00 65.11 H new ATOM 0 HB1 ALA A 90 -7.395 -16.411 12.307 1.00 2.30 H new ATOM 0 HB2 ALA A 90 -8.020 -15.860 13.880 1.00 2.30 H new ATOM 0 HB3 ALA A 90 -7.925 -14.725 12.513 1.00 2.30 H new ATOM 1475 N GLN A 91 -4.220 -15.714 11.904 1.00 34.31 N ATOM 1476 CA GLN A 91 -3.338 -15.511 10.761 1.00 32.03 C ATOM 1477 C GLN A 91 -3.475 -16.651 9.758 1.00 30.43 C ATOM 1478 O GLN A 91 -2.512 -17.364 9.480 1.00 65.44 O ATOM 1479 CB GLN A 91 -1.885 -15.395 11.225 1.00 12.02 C ATOM 1480 CG GLN A 91 -0.963 -14.777 10.187 1.00 11.11 C ATOM 1481 CD GLN A 91 0.192 -14.019 10.811 1.00 54.53 C ATOM 1482 OE1 GLN A 91 0.693 -14.389 11.873 1.00 74.40 O ATOM 1483 NE2 GLN A 91 0.622 -12.949 10.152 1.00 45.52 N ATOM 0 H GLN A 91 -4.029 -16.562 12.439 1.00 34.31 H new ATOM 0 HA GLN A 91 -3.630 -14.583 10.270 1.00 32.03 H new ATOM 0 HB2 GLN A 91 -1.849 -14.795 12.134 1.00 12.02 H new ATOM 0 HB3 GLN A 91 -1.514 -16.387 11.483 1.00 12.02 H new ATOM 0 HG2 GLN A 91 -0.571 -15.563 9.541 1.00 11.11 H new ATOM 0 HG3 GLN A 91 -1.537 -14.101 9.553 1.00 11.11 H new ATOM 0 HE21 GLN A 91 0.178 -12.678 9.275 1.00 45.52 H new ATOM 0 HE22 GLN A 91 1.396 -12.399 10.523 1.00 45.52 H new ATOM 1492 N ASN A 92 -4.678 -16.819 9.219 1.00 11.12 N ATOM 1493 CA ASN A 92 -4.941 -17.874 8.247 1.00 24.14 C ATOM 1494 C ASN A 92 -5.397 -17.287 6.916 1.00 53.33 C ATOM 1495 O ASN A 92 -6.581 -17.009 6.721 1.00 32.43 O ATOM 1496 CB ASN A 92 -6.003 -18.837 8.784 1.00 74.12 C ATOM 1497 CG ASN A 92 -7.229 -18.113 9.305 1.00 53.24 C ATOM 1498 OD1 ASN A 92 -7.299 -16.884 9.273 1.00 62.11 O ATOM 1499 ND2 ASN A 92 -8.205 -18.873 9.787 1.00 13.24 N ATOM 0 H ASN A 92 -5.487 -16.238 9.439 1.00 11.12 H new ATOM 0 HA ASN A 92 -4.013 -18.422 8.082 1.00 24.14 H new ATOM 0 HB2 ASN A 92 -6.300 -19.525 7.992 1.00 74.12 H new ATOM 0 HB3 ASN A 92 -5.572 -19.439 9.584 1.00 74.12 H new ATOM 0 HD21 ASN A 92 -9.055 -18.442 10.150 1.00 13.24 H new ATOM 0 HD22 ASN A 92 -8.105 -19.888 9.794 1.00 13.24 H new ATOM 1506 N ILE A 93 -4.450 -17.100 6.003 1.00 55.33 N ATOM 1507 CA ILE A 93 -4.756 -16.547 4.689 1.00 44.34 C ATOM 1508 C ILE A 93 -5.936 -17.269 4.049 1.00 3.31 C ATOM 1509 O ILE A 93 -6.712 -16.672 3.302 1.00 25.14 O ATOM 1510 CB ILE A 93 -3.541 -16.634 3.746 1.00 21.51 C ATOM 1511 CG1 ILE A 93 -3.045 -18.079 3.650 1.00 1.14 C ATOM 1512 CG2 ILE A 93 -2.428 -15.716 4.228 1.00 33.24 C ATOM 1513 CD1 ILE A 93 -2.409 -18.413 2.320 1.00 40.10 C ATOM 0 H ILE A 93 -3.465 -17.323 6.149 1.00 55.33 H new ATOM 0 HA ILE A 93 -5.015 -15.499 4.840 1.00 44.34 H new ATOM 0 HB ILE A 93 -3.847 -16.308 2.752 1.00 21.51 H new ATOM 0 HG12 ILE A 93 -2.321 -18.260 4.445 1.00 1.14 H new ATOM 0 HG13 ILE A 93 -3.883 -18.754 3.822 1.00 1.14 H new ATOM 0 HG21 ILE A 93 -1.577 -15.789 3.551 1.00 33.24 H new ATOM 0 HG22 ILE A 93 -2.788 -14.687 4.248 1.00 33.24 H new ATOM 0 HG23 ILE A 93 -2.120 -16.013 5.231 1.00 33.24 H new ATOM 0 HD11 ILE A 93 -2.081 -19.453 2.324 1.00 40.10 H new ATOM 0 HD12 ILE A 93 -3.136 -18.265 1.522 1.00 40.10 H new ATOM 0 HD13 ILE A 93 -1.550 -17.763 2.154 1.00 40.10 H new ATOM 1525 N SER A 94 -6.067 -18.558 4.348 1.00 52.44 N ATOM 1526 CA SER A 94 -7.152 -19.363 3.800 1.00 32.33 C ATOM 1527 C SER A 94 -8.502 -18.878 4.318 1.00 34.52 C ATOM 1528 O SER A 94 -9.519 -18.995 3.635 1.00 30.23 O ATOM 1529 CB SER A 94 -6.954 -20.837 4.160 1.00 43.33 C ATOM 1530 OG SER A 94 -5.721 -21.323 3.658 1.00 14.21 O ATOM 0 H SER A 94 -5.435 -19.067 4.967 1.00 52.44 H new ATOM 0 HA SER A 94 -7.139 -19.257 2.715 1.00 32.33 H new ATOM 0 HB2 SER A 94 -6.982 -20.957 5.243 1.00 43.33 H new ATOM 0 HB3 SER A 94 -7.774 -21.428 3.752 1.00 43.33 H new ATOM 0 HG SER A 94 -5.617 -22.266 3.903 1.00 14.21 H new ATOM 1536 N ASN A 95 -8.505 -18.334 5.530 1.00 4.41 N ATOM 1537 CA ASN A 95 -9.729 -17.832 6.141 1.00 0.04 C ATOM 1538 C ASN A 95 -9.526 -16.422 6.689 1.00 20.41 C ATOM 1539 O ASN A 95 -10.095 -16.056 7.718 1.00 71.12 O ATOM 1540 CB ASN A 95 -10.185 -18.767 7.264 1.00 53.34 C ATOM 1541 CG ASN A 95 -10.865 -20.015 6.736 1.00 72.05 C ATOM 1542 OD1 ASN A 95 -10.353 -20.681 5.835 1.00 20.02 O ATOM 1543 ND2 ASN A 95 -12.025 -20.338 7.295 1.00 4.15 N ATOM 0 H ASN A 95 -7.672 -18.230 6.109 1.00 4.41 H new ATOM 0 HA ASN A 95 -10.500 -17.796 5.372 1.00 0.04 H new ATOM 0 HB2 ASN A 95 -9.323 -19.053 7.867 1.00 53.34 H new ATOM 0 HB3 ASN A 95 -10.871 -18.233 7.922 1.00 53.34 H new ATOM 0 HD21 ASN A 95 -12.529 -21.167 6.981 1.00 4.15 H new ATOM 0 HD22 ASN A 95 -12.412 -19.757 8.039 1.00 4.15 H new ATOM 1550 N CYS A 96 -8.710 -15.636 5.996 1.00 53.15 N ATOM 1551 CA CYS A 96 -8.431 -14.267 6.411 1.00 50.04 C ATOM 1552 C CYS A 96 -9.486 -13.307 5.867 1.00 12.40 C ATOM 1553 O CYS A 96 -9.482 -12.970 4.684 1.00 41.53 O ATOM 1554 CB CYS A 96 -7.042 -13.839 5.932 1.00 72.24 C ATOM 1555 SG CYS A 96 -5.727 -14.063 7.172 1.00 54.42 S ATOM 0 H CYS A 96 -8.230 -15.924 5.143 1.00 53.15 H new ATOM 0 HA CYS A 96 -8.460 -14.232 7.500 1.00 50.04 H new ATOM 0 HB2 CYS A 96 -6.786 -14.409 5.039 1.00 72.24 H new ATOM 0 HB3 CYS A 96 -7.077 -12.789 5.641 1.00 72.24 H new ATOM 1560 N ARG A 97 -10.388 -12.872 6.741 1.00 71.21 N ATOM 1561 CA ARG A 97 -11.449 -11.952 6.349 1.00 60.43 C ATOM 1562 C ARG A 97 -10.987 -10.504 6.474 1.00 53.14 C ATOM 1563 O ARG A 97 -10.207 -10.165 7.363 1.00 3.42 O ATOM 1564 CB ARG A 97 -12.693 -12.178 7.212 1.00 71.42 C ATOM 1565 CG ARG A 97 -13.556 -13.339 6.744 1.00 62.12 C ATOM 1566 CD ARG A 97 -14.921 -13.324 7.414 1.00 55.34 C ATOM 1567 NE ARG A 97 -15.847 -14.265 6.791 1.00 4.20 N ATOM 1568 CZ ARG A 97 -16.951 -14.710 7.382 1.00 2.01 C ATOM 1569 NH1 ARG A 97 -17.264 -14.300 8.603 1.00 62.13 N ATOM 1570 NH2 ARG A 97 -17.743 -15.567 6.750 1.00 52.32 N ATOM 0 H ARG A 97 -10.405 -13.142 7.725 1.00 71.21 H new ATOM 0 HA ARG A 97 -11.698 -12.147 5.306 1.00 60.43 H new ATOM 0 HB2 ARG A 97 -12.383 -12.359 8.241 1.00 71.42 H new ATOM 0 HB3 ARG A 97 -13.293 -11.268 7.215 1.00 71.42 H new ATOM 0 HG2 ARG A 97 -13.680 -13.289 5.662 1.00 62.12 H new ATOM 0 HG3 ARG A 97 -13.052 -14.280 6.964 1.00 62.12 H new ATOM 0 HD2 ARG A 97 -14.809 -13.571 8.470 1.00 55.34 H new ATOM 0 HD3 ARG A 97 -15.338 -12.318 7.364 1.00 55.34 H new ATOM 0 HE ARG A 97 -15.635 -14.599 5.851 1.00 4.20 H new ATOM 0 HH11 ARG A 97 -16.657 -13.641 9.091 1.00 62.13 H new ATOM 0 HH12 ARG A 97 -18.112 -14.643 9.054 1.00 62.13 H new ATOM 0 HH21 ARG A 97 -17.504 -15.884 5.810 1.00 52.32 H new ATOM 0 HH22 ARG A 97 -18.590 -15.908 7.204 1.00 52.32 H new ATOM 1584 N TYR A 98 -11.473 -9.654 5.575 1.00 1.11 N ATOM 1585 CA TYR A 98 -11.107 -8.243 5.583 1.00 34.10 C ATOM 1586 C TYR A 98 -12.350 -7.358 5.589 1.00 71.32 C ATOM 1587 O TYR A 98 -13.375 -7.704 5.002 1.00 71.15 O ATOM 1588 CB TYR A 98 -10.240 -7.912 4.367 1.00 24.22 C ATOM 1589 CG TYR A 98 -8.805 -8.368 4.507 1.00 62.44 C ATOM 1590 CD1 TYR A 98 -8.096 -8.149 5.682 1.00 70.10 C ATOM 1591 CD2 TYR A 98 -8.157 -9.018 3.463 1.00 2.10 C ATOM 1592 CE1 TYR A 98 -6.785 -8.563 5.814 1.00 25.21 C ATOM 1593 CE2 TYR A 98 -6.846 -9.438 3.586 1.00 14.41 C ATOM 1594 CZ TYR A 98 -6.165 -9.207 4.764 1.00 50.15 C ATOM 1595 OH TYR A 98 -4.858 -9.621 4.889 1.00 33.25 O ATOM 0 H TYR A 98 -12.121 -9.918 4.833 1.00 1.11 H new ATOM 0 HA TYR A 98 -10.538 -8.047 6.492 1.00 34.10 H new ATOM 0 HB2 TYR A 98 -10.676 -8.377 3.483 1.00 24.22 H new ATOM 0 HB3 TYR A 98 -10.256 -6.835 4.202 1.00 24.22 H new ATOM 0 HD1 TYR A 98 -8.579 -7.646 6.507 1.00 70.10 H new ATOM 0 HD2 TYR A 98 -8.687 -9.198 2.540 1.00 2.10 H new ATOM 0 HE1 TYR A 98 -6.249 -8.383 6.734 1.00 25.21 H new ATOM 0 HE2 TYR A 98 -6.358 -9.943 2.766 1.00 14.41 H new ATOM 0 HH TYR A 98 -4.489 -9.289 5.734 1.00 33.25 H new ATOM 1605 N ALA A 99 -12.251 -6.213 6.258 1.00 60.45 N ATOM 1606 CA ALA A 99 -13.365 -5.277 6.339 1.00 55.33 C ATOM 1607 C ALA A 99 -13.217 -4.157 5.314 1.00 2.25 C ATOM 1608 O ALA A 99 -12.317 -3.323 5.419 1.00 64.30 O ATOM 1609 CB ALA A 99 -13.469 -4.700 7.743 1.00 65.30 C ATOM 0 H ALA A 99 -11.411 -5.912 6.751 1.00 60.45 H new ATOM 0 HA ALA A 99 -14.282 -5.822 6.113 1.00 55.33 H new ATOM 0 HB1 ALA A 99 -14.305 -4.003 7.789 1.00 65.30 H new ATOM 0 HB2 ALA A 99 -13.630 -5.507 8.457 1.00 65.30 H new ATOM 0 HB3 ALA A 99 -12.546 -4.176 7.990 1.00 65.30 H new ATOM 1615 N ASP A 100 -14.103 -4.144 4.326 1.00 35.43 N ATOM 1616 CA ASP A 100 -14.071 -3.126 3.283 1.00 60.23 C ATOM 1617 C ASP A 100 -14.631 -1.803 3.797 1.00 52.24 C ATOM 1618 O ASP A 100 -15.697 -1.765 4.410 1.00 34.24 O ATOM 1619 CB ASP A 100 -14.868 -3.590 2.062 1.00 3.31 C ATOM 1620 CG ASP A 100 -14.507 -2.820 0.808 1.00 50.32 C ATOM 1621 OD1 ASP A 100 -14.861 -1.624 0.723 1.00 64.43 O ATOM 1622 OD2 ASP A 100 -13.869 -3.410 -0.089 1.00 32.05 O ATOM 0 H ASP A 100 -14.853 -4.828 4.225 1.00 35.43 H new ATOM 0 HA ASP A 100 -13.032 -2.972 2.992 1.00 60.23 H new ATOM 0 HB2 ASP A 100 -14.688 -4.652 1.897 1.00 3.31 H new ATOM 0 HB3 ASP A 100 -15.933 -3.474 2.262 1.00 3.31 H new ATOM 1627 N ARG A 101 -13.903 -0.720 3.543 1.00 1.32 N ATOM 1628 CA ARG A 101 -14.325 0.604 3.983 1.00 53.21 C ATOM 1629 C ARG A 101 -13.822 1.681 3.026 1.00 31.10 C ATOM 1630 O ARG A 101 -12.643 2.033 3.015 1.00 43.44 O ATOM 1631 CB ARG A 101 -13.813 0.883 5.397 1.00 41.44 C ATOM 1632 CG ARG A 101 -14.726 1.787 6.208 1.00 52.35 C ATOM 1633 CD ARG A 101 -15.967 1.047 6.682 1.00 44.04 C ATOM 1634 NE ARG A 101 -16.952 1.949 7.273 1.00 44.22 N ATOM 1635 CZ ARG A 101 -18.035 1.533 7.918 1.00 2.22 C ATOM 1636 NH1 ARG A 101 -18.272 0.236 8.056 1.00 22.13 N ATOM 1637 NH2 ARG A 101 -18.885 2.416 8.429 1.00 64.35 N ATOM 0 H ARG A 101 -13.019 -0.734 3.035 1.00 1.32 H new ATOM 0 HA ARG A 101 -15.415 0.627 3.988 1.00 53.21 H new ATOM 0 HB2 ARG A 101 -13.692 -0.064 5.924 1.00 41.44 H new ATOM 0 HB3 ARG A 101 -12.826 1.341 5.333 1.00 41.44 H new ATOM 0 HG2 ARG A 101 -14.183 2.176 7.069 1.00 52.35 H new ATOM 0 HG3 ARG A 101 -15.021 2.644 5.603 1.00 52.35 H new ATOM 0 HD2 ARG A 101 -16.417 0.520 5.841 1.00 44.04 H new ATOM 0 HD3 ARG A 101 -15.681 0.293 7.415 1.00 44.04 H new ATOM 0 HE ARG A 101 -16.799 2.954 7.185 1.00 44.22 H new ATOM 0 HH11 ARG A 101 -17.621 -0.446 7.666 1.00 22.13 H new ATOM 0 HH12 ARG A 101 -19.105 -0.080 8.552 1.00 22.13 H new ATOM 0 HH21 ARG A 101 -18.706 3.415 8.326 1.00 64.35 H new ATOM 0 HH22 ARG A 101 -19.717 2.095 8.924 1.00 64.35 H new ATOM 1651 N PRO A 102 -14.736 2.216 2.202 1.00 21.13 N ATOM 1652 CA PRO A 102 -14.408 3.259 1.227 1.00 43.12 C ATOM 1653 C PRO A 102 -14.083 4.592 1.891 1.00 73.23 C ATOM 1654 O PRO A 102 -14.712 4.975 2.877 1.00 40.02 O ATOM 1655 CB PRO A 102 -15.683 3.375 0.389 1.00 33.24 C ATOM 1656 CG PRO A 102 -16.772 2.904 1.290 1.00 54.34 C ATOM 1657 CD PRO A 102 -16.159 1.842 2.160 1.00 13.01 C ATOM 0 HA PRO A 102 -13.521 3.008 0.645 1.00 43.12 H new ATOM 0 HB2 PRO A 102 -15.853 4.402 0.066 1.00 33.24 H new ATOM 0 HB3 PRO A 102 -15.622 2.764 -0.512 1.00 33.24 H new ATOM 0 HG2 PRO A 102 -17.163 3.724 1.892 1.00 54.34 H new ATOM 0 HG3 PRO A 102 -17.608 2.504 0.716 1.00 54.34 H new ATOM 0 HD2 PRO A 102 -16.602 1.833 3.156 1.00 13.01 H new ATOM 0 HD3 PRO A 102 -16.301 0.846 1.739 1.00 13.01 H new ATOM 1665 N GLY A 103 -13.097 5.297 1.344 1.00 52.22 N ATOM 1666 CA GLY A 103 -12.707 6.581 1.897 1.00 52.12 C ATOM 1667 C GLY A 103 -11.950 7.436 0.900 1.00 10.44 C ATOM 1668 O GLY A 103 -11.648 6.990 -0.207 1.00 25.01 O ATOM 0 H GLY A 103 -12.561 5.002 0.528 1.00 52.22 H new ATOM 0 HA2 GLY A 103 -13.597 7.116 2.228 1.00 52.12 H new ATOM 0 HA3 GLY A 103 -12.086 6.420 2.778 1.00 52.12 H new ATOM 1672 N ARG A 104 -11.646 8.668 1.292 1.00 43.50 N ATOM 1673 CA ARG A 104 -10.922 9.589 0.423 1.00 3.41 C ATOM 1674 C ARG A 104 -9.992 10.485 1.235 1.00 43.54 C ATOM 1675 O ARG A 104 -10.443 11.383 1.947 1.00 3.42 O ATOM 1676 CB ARG A 104 -11.904 10.447 -0.377 1.00 3.00 C ATOM 1677 CG ARG A 104 -11.228 11.424 -1.324 1.00 43.35 C ATOM 1678 CD ARG A 104 -12.078 12.665 -1.546 1.00 4.44 C ATOM 1679 NE ARG A 104 -13.141 12.434 -2.519 1.00 42.14 N ATOM 1680 CZ ARG A 104 -13.892 13.403 -3.032 1.00 24.01 C ATOM 1681 NH1 ARG A 104 -13.696 14.662 -2.666 1.00 22.13 N ATOM 1682 NH2 ARG A 104 -14.839 13.113 -3.914 1.00 33.41 N ATOM 0 H ARG A 104 -11.889 9.052 2.205 1.00 43.50 H new ATOM 0 HA ARG A 104 -10.319 8.999 -0.267 1.00 3.41 H new ATOM 0 HB2 ARG A 104 -12.560 9.793 -0.951 1.00 3.00 H new ATOM 0 HB3 ARG A 104 -12.535 11.004 0.316 1.00 3.00 H new ATOM 0 HG2 ARG A 104 -10.259 11.714 -0.918 1.00 43.35 H new ATOM 0 HG3 ARG A 104 -11.040 10.935 -2.280 1.00 43.35 H new ATOM 0 HD2 ARG A 104 -12.516 12.978 -0.598 1.00 4.44 H new ATOM 0 HD3 ARG A 104 -11.444 13.482 -1.890 1.00 4.44 H new ATOM 0 HE ARG A 104 -13.317 11.476 -2.822 1.00 42.14 H new ATOM 0 HH11 ARG A 104 -12.967 14.889 -1.989 1.00 22.13 H new ATOM 0 HH12 ARG A 104 -14.274 15.404 -3.061 1.00 22.13 H new ATOM 0 HH21 ARG A 104 -14.991 12.146 -4.199 1.00 33.41 H new ATOM 0 HH22 ARG A 104 -15.415 13.857 -4.307 1.00 33.41 H new ATOM 1696 N ARG A 105 -8.691 10.236 1.123 1.00 4.14 N ATOM 1697 CA ARG A 105 -7.698 11.019 1.848 1.00 25.54 C ATOM 1698 C ARG A 105 -6.301 10.783 1.281 1.00 42.41 C ATOM 1699 O ARG A 105 -6.135 10.083 0.281 1.00 12.22 O ATOM 1700 CB ARG A 105 -7.722 10.662 3.336 1.00 21.31 C ATOM 1701 CG ARG A 105 -8.679 11.515 4.151 1.00 14.42 C ATOM 1702 CD ARG A 105 -8.352 11.457 5.636 1.00 60.24 C ATOM 1703 NE ARG A 105 -8.890 12.606 6.359 1.00 2.44 N ATOM 1704 CZ ARG A 105 -9.157 12.595 7.661 1.00 45.33 C ATOM 1705 NH1 ARG A 105 -8.938 11.501 8.376 1.00 5.43 N ATOM 1706 NH2 ARG A 105 -9.644 13.681 8.248 1.00 23.40 N ATOM 0 H ARG A 105 -8.300 9.498 0.537 1.00 4.14 H new ATOM 0 HA ARG A 105 -7.947 12.074 1.730 1.00 25.54 H new ATOM 0 HB2 ARG A 105 -8.000 9.614 3.445 1.00 21.31 H new ATOM 0 HB3 ARG A 105 -6.717 10.769 3.743 1.00 21.31 H new ATOM 0 HG2 ARG A 105 -8.630 12.548 3.807 1.00 14.42 H new ATOM 0 HG3 ARG A 105 -9.701 11.173 3.989 1.00 14.42 H new ATOM 0 HD2 ARG A 105 -8.757 10.539 6.061 1.00 60.24 H new ATOM 0 HD3 ARG A 105 -7.271 11.419 5.768 1.00 60.24 H new ATOM 0 HE ARG A 105 -9.071 13.463 5.837 1.00 2.44 H new ATOM 0 HH11 ARG A 105 -8.564 10.665 7.927 1.00 5.43 H new ATOM 0 HH12 ARG A 105 -9.144 11.495 9.375 1.00 5.43 H new ATOM 0 HH21 ARG A 105 -9.814 14.524 7.700 1.00 23.40 H new ATOM 0 HH22 ARG A 105 -9.849 13.672 9.247 1.00 23.40 H new ATOM 1720 N PHE A 106 -5.299 11.372 1.926 1.00 20.41 N ATOM 1721 CA PHE A 106 -3.916 11.228 1.485 1.00 13.30 C ATOM 1722 C PHE A 106 -3.341 9.887 1.929 1.00 60.41 C ATOM 1723 O PHE A 106 -4.050 9.049 2.488 1.00 50.21 O ATOM 1724 CB PHE A 106 -3.061 12.370 2.038 1.00 61.12 C ATOM 1725 CG PHE A 106 -3.725 13.714 1.948 1.00 14.10 C ATOM 1726 CD1 PHE A 106 -3.864 14.354 0.727 1.00 62.21 C ATOM 1727 CD2 PHE A 106 -4.212 14.338 3.086 1.00 31.10 C ATOM 1728 CE1 PHE A 106 -4.475 15.591 0.641 1.00 30.22 C ATOM 1729 CE2 PHE A 106 -4.824 15.574 3.006 1.00 12.43 C ATOM 1730 CZ PHE A 106 -4.955 16.202 1.782 1.00 13.42 C ATOM 0 H PHE A 106 -5.419 11.953 2.756 1.00 20.41 H new ATOM 0 HA PHE A 106 -3.902 11.267 0.396 1.00 13.30 H new ATOM 0 HB2 PHE A 106 -2.821 12.161 3.081 1.00 61.12 H new ATOM 0 HB3 PHE A 106 -2.117 12.403 1.494 1.00 61.12 H new ATOM 0 HD1 PHE A 106 -3.490 13.880 -0.169 1.00 62.21 H new ATOM 0 HD2 PHE A 106 -4.112 13.853 4.046 1.00 31.10 H new ATOM 0 HE1 PHE A 106 -4.577 16.079 -0.317 1.00 30.22 H new ATOM 0 HE2 PHE A 106 -5.200 16.049 3.900 1.00 12.43 H new ATOM 0 HZ PHE A 106 -5.432 17.169 1.718 1.00 13.42 H new ATOM 1740 N TYR A 107 -2.053 9.689 1.674 1.00 42.23 N ATOM 1741 CA TYR A 107 -1.381 8.448 2.044 1.00 52.34 C ATOM 1742 C TYR A 107 0.119 8.669 2.210 1.00 20.02 C ATOM 1743 O TYR A 107 0.757 9.326 1.387 1.00 12.43 O ATOM 1744 CB TYR A 107 -1.636 7.372 0.987 1.00 41.54 C ATOM 1745 CG TYR A 107 -1.431 7.856 -0.431 1.00 24.21 C ATOM 1746 CD1 TYR A 107 -0.174 7.819 -1.023 1.00 32.33 C ATOM 1747 CD2 TYR A 107 -2.493 8.349 -1.178 1.00 52.52 C ATOM 1748 CE1 TYR A 107 0.018 8.260 -2.318 1.00 22.21 C ATOM 1749 CE2 TYR A 107 -2.310 8.791 -2.474 1.00 60.51 C ATOM 1750 CZ TYR A 107 -1.053 8.744 -3.040 1.00 20.11 C ATOM 1751 OH TYR A 107 -0.866 9.185 -4.330 1.00 2.34 O ATOM 0 H TYR A 107 -1.452 10.372 1.212 1.00 42.23 H new ATOM 0 HA TYR A 107 -1.788 8.114 2.999 1.00 52.34 H new ATOM 0 HB2 TYR A 107 -0.973 6.527 1.173 1.00 41.54 H new ATOM 0 HB3 TYR A 107 -2.657 7.005 1.093 1.00 41.54 H new ATOM 0 HD1 TYR A 107 0.667 7.439 -0.461 1.00 32.33 H new ATOM 0 HD2 TYR A 107 -3.479 8.387 -0.738 1.00 52.52 H new ATOM 0 HE1 TYR A 107 1.002 8.226 -2.763 1.00 22.21 H new ATOM 0 HE2 TYR A 107 -3.147 9.171 -3.041 1.00 60.51 H new ATOM 0 HH TYR A 107 -1.721 9.493 -4.698 1.00 2.34 H new ATOM 1761 N VAL A 108 0.677 8.114 3.282 1.00 74.02 N ATOM 1762 CA VAL A 108 2.103 8.247 3.557 1.00 12.02 C ATOM 1763 C VAL A 108 2.858 6.981 3.170 1.00 23.51 C ATOM 1764 O VAL A 108 2.799 5.971 3.871 1.00 14.13 O ATOM 1765 CB VAL A 108 2.361 8.552 5.045 1.00 43.24 C ATOM 1766 CG1 VAL A 108 3.854 8.551 5.339 1.00 73.13 C ATOM 1767 CG2 VAL A 108 1.734 9.883 5.432 1.00 11.21 C ATOM 0 H VAL A 108 0.163 7.568 3.974 1.00 74.02 H new ATOM 0 HA VAL A 108 2.465 9.080 2.955 1.00 12.02 H new ATOM 0 HB VAL A 108 1.896 7.769 5.645 1.00 43.24 H new ATOM 0 HG11 VAL A 108 4.017 8.768 6.395 1.00 73.13 H new ATOM 0 HG12 VAL A 108 4.271 7.572 5.101 1.00 73.13 H new ATOM 0 HG13 VAL A 108 4.345 9.312 4.732 1.00 73.13 H new ATOM 0 HG21 VAL A 108 1.926 10.083 6.486 1.00 11.21 H new ATOM 0 HG22 VAL A 108 2.168 10.679 4.827 1.00 11.21 H new ATOM 0 HG23 VAL A 108 0.658 9.842 5.260 1.00 11.21 H new ATOM 1777 N VAL A 109 3.569 7.042 2.049 1.00 70.21 N ATOM 1778 CA VAL A 109 4.338 5.900 1.568 1.00 0.34 C ATOM 1779 C VAL A 109 5.836 6.162 1.674 1.00 53.12 C ATOM 1780 O VAL A 109 6.308 7.255 1.363 1.00 54.43 O ATOM 1781 CB VAL A 109 3.990 5.563 0.106 1.00 33.41 C ATOM 1782 CG1 VAL A 109 2.552 5.953 -0.204 1.00 14.11 C ATOM 1783 CG2 VAL A 109 4.955 6.254 -0.844 1.00 51.12 C ATOM 0 H VAL A 109 3.629 7.870 1.457 1.00 70.21 H new ATOM 0 HA VAL A 109 4.074 5.053 2.201 1.00 0.34 H new ATOM 0 HB VAL A 109 4.088 4.486 -0.034 1.00 33.41 H new ATOM 0 HG11 VAL A 109 2.324 5.708 -1.241 1.00 14.11 H new ATOM 0 HG12 VAL A 109 1.877 5.407 0.455 1.00 14.11 H new ATOM 0 HG13 VAL A 109 2.424 7.024 -0.048 1.00 14.11 H new ATOM 0 HG21 VAL A 109 4.694 6.005 -1.873 1.00 51.12 H new ATOM 0 HG22 VAL A 109 4.892 7.333 -0.705 1.00 51.12 H new ATOM 0 HG23 VAL A 109 5.972 5.920 -0.636 1.00 51.12 H new ATOM 1793 N ALA A 110 6.579 5.152 2.115 1.00 11.40 N ATOM 1794 CA ALA A 110 8.024 5.274 2.259 1.00 31.14 C ATOM 1795 C ALA A 110 8.745 4.760 1.018 1.00 43.33 C ATOM 1796 O ALA A 110 8.738 3.561 0.735 1.00 42.34 O ATOM 1797 CB ALA A 110 8.496 4.521 3.495 1.00 21.15 C ATOM 0 H ALA A 110 6.204 4.241 2.379 1.00 11.40 H new ATOM 0 HA ALA A 110 8.265 6.331 2.375 1.00 31.14 H new ATOM 0 HB1 ALA A 110 9.577 4.620 3.591 1.00 21.15 H new ATOM 0 HB2 ALA A 110 8.014 4.936 4.380 1.00 21.15 H new ATOM 0 HB3 ALA A 110 8.235 3.467 3.400 1.00 21.15 H new ATOM 1803 N CYS A 111 9.366 5.673 0.279 1.00 14.40 N ATOM 1804 CA CYS A 111 10.091 5.314 -0.933 1.00 32.14 C ATOM 1805 C CYS A 111 11.546 4.984 -0.618 1.00 25.42 C ATOM 1806 O CYS A 111 12.220 5.722 0.099 1.00 45.11 O ATOM 1807 CB CYS A 111 10.024 6.455 -1.950 1.00 10.42 C ATOM 1808 SG CYS A 111 8.510 6.461 -2.963 1.00 42.14 S ATOM 0 H CYS A 111 9.381 6.669 0.499 1.00 14.40 H new ATOM 0 HA CYS A 111 9.620 4.428 -1.359 1.00 32.14 H new ATOM 0 HB2 CYS A 111 10.097 7.405 -1.420 1.00 10.42 H new ATOM 0 HB3 CYS A 111 10.889 6.391 -2.610 1.00 10.42 H new ATOM 1813 N ASP A 112 12.024 3.869 -1.160 1.00 62.45 N ATOM 1814 CA ASP A 112 13.400 3.440 -0.940 1.00 22.24 C ATOM 1815 C ASP A 112 14.045 2.986 -2.246 1.00 13.34 C ATOM 1816 O ASP A 112 13.370 2.840 -3.264 1.00 23.31 O ATOM 1817 CB ASP A 112 13.445 2.306 0.086 1.00 30.45 C ATOM 1818 CG ASP A 112 14.730 2.302 0.890 1.00 63.14 C ATOM 1819 OD1 ASP A 112 15.005 3.310 1.573 1.00 31.54 O ATOM 1820 OD2 ASP A 112 15.462 1.291 0.834 1.00 10.03 O ATOM 0 H ASP A 112 11.478 3.246 -1.755 1.00 62.45 H new ATOM 0 HA ASP A 112 13.962 4.291 -0.556 1.00 22.24 H new ATOM 0 HB2 ASP A 112 12.596 2.399 0.764 1.00 30.45 H new ATOM 0 HB3 ASP A 112 13.339 1.351 -0.428 1.00 30.45 H new ATOM 1825 N ASN A 113 15.355 2.766 -2.208 1.00 52.45 N ATOM 1826 CA ASN A 113 16.091 2.332 -3.390 1.00 52.32 C ATOM 1827 C ASN A 113 15.470 1.072 -3.985 1.00 2.30 C ATOM 1828 O ASN A 113 15.202 0.105 -3.272 1.00 31.52 O ATOM 1829 CB ASN A 113 17.557 2.074 -3.036 1.00 21.44 C ATOM 1830 CG ASN A 113 18.411 1.816 -4.263 1.00 12.32 C ATOM 1831 OD1 ASN A 113 18.452 0.700 -4.781 1.00 61.23 O ATOM 1832 ND2 ASN A 113 19.098 2.851 -4.733 1.00 25.21 N ATOM 0 H ASN A 113 15.928 2.881 -1.372 1.00 52.45 H new ATOM 0 HA ASN A 113 16.038 3.127 -4.134 1.00 52.32 H new ATOM 0 HB2 ASN A 113 17.954 2.933 -2.494 1.00 21.44 H new ATOM 0 HB3 ASN A 113 17.621 1.217 -2.365 1.00 21.44 H new ATOM 0 HD21 ASN A 113 19.690 2.739 -5.556 1.00 25.21 H new ATOM 0 HD22 ASN A 113 19.033 3.758 -4.271 1.00 25.21 H new ATOM 1839 N ARG A 114 15.244 1.091 -5.294 1.00 64.02 N ATOM 1840 CA ARG A 114 14.655 -0.049 -5.984 1.00 64.54 C ATOM 1841 C ARG A 114 15.596 -0.578 -7.063 1.00 75.34 C ATOM 1842 O ARG A 114 16.657 -0.005 -7.311 1.00 3.24 O ATOM 1843 CB ARG A 114 13.315 0.344 -6.609 1.00 72.45 C ATOM 1844 CG ARG A 114 13.336 1.701 -7.293 1.00 41.42 C ATOM 1845 CD ARG A 114 14.106 1.653 -8.604 1.00 15.02 C ATOM 1846 NE ARG A 114 15.535 1.879 -8.408 1.00 62.15 N ATOM 1847 CZ ARG A 114 16.340 2.353 -9.352 1.00 75.14 C ATOM 1848 NH1 ARG A 114 15.858 2.650 -10.552 1.00 12.11 N ATOM 1849 NH2 ARG A 114 17.630 2.532 -9.098 1.00 30.31 N ATOM 0 H ARG A 114 15.460 1.884 -5.898 1.00 64.02 H new ATOM 0 HA ARG A 114 14.490 -0.839 -5.252 1.00 64.54 H new ATOM 0 HB2 ARG A 114 13.026 -0.415 -7.336 1.00 72.45 H new ATOM 0 HB3 ARG A 114 12.550 0.350 -5.833 1.00 72.45 H new ATOM 0 HG2 ARG A 114 12.314 2.030 -7.482 1.00 41.42 H new ATOM 0 HG3 ARG A 114 13.790 2.437 -6.630 1.00 41.42 H new ATOM 0 HD2 ARG A 114 13.954 0.683 -9.078 1.00 15.02 H new ATOM 0 HD3 ARG A 114 13.710 2.406 -9.285 1.00 15.02 H new ATOM 0 HE ARG A 114 15.937 1.661 -7.496 1.00 62.15 H new ATOM 0 HH11 ARG A 114 14.867 2.514 -10.751 1.00 12.11 H new ATOM 0 HH12 ARG A 114 16.479 3.014 -11.275 1.00 12.11 H new ATOM 0 HH21 ARG A 114 18.005 2.305 -8.177 1.00 30.31 H new ATOM 0 HH22 ARG A 114 18.247 2.896 -9.824 1.00 30.31 H new ATOM 1863 N ASP A 115 15.200 -1.673 -7.701 1.00 63.41 N ATOM 1864 CA ASP A 115 16.007 -2.280 -8.753 1.00 23.10 C ATOM 1865 C ASP A 115 15.976 -1.430 -10.020 1.00 61.22 C ATOM 1866 O ASP A 115 14.923 -0.975 -10.465 1.00 75.22 O ATOM 1867 CB ASP A 115 15.508 -3.693 -9.059 1.00 51.54 C ATOM 1868 CG ASP A 115 14.848 -4.346 -7.860 1.00 62.43 C ATOM 1869 OD1 ASP A 115 15.562 -5.010 -7.079 1.00 54.54 O ATOM 1870 OD2 ASP A 115 13.619 -4.193 -7.703 1.00 71.12 O ATOM 0 H ASP A 115 14.324 -2.159 -7.508 1.00 63.41 H new ATOM 0 HA ASP A 115 17.037 -2.337 -8.400 1.00 23.10 H new ATOM 0 HB2 ASP A 115 14.797 -3.653 -9.885 1.00 51.54 H new ATOM 0 HB3 ASP A 115 16.346 -4.308 -9.389 1.00 51.54 H new ATOM 1875 N PRO A 116 17.158 -1.210 -10.615 1.00 54.20 N ATOM 1876 CA PRO A 116 17.292 -0.414 -11.838 1.00 55.21 C ATOM 1877 C PRO A 116 16.699 -1.116 -13.055 1.00 42.41 C ATOM 1878 O PRO A 116 16.782 -0.612 -14.175 1.00 71.02 O ATOM 1879 CB PRO A 116 18.807 -0.257 -11.995 1.00 60.11 C ATOM 1880 CG PRO A 116 19.384 -1.433 -11.285 1.00 72.11 C ATOM 1881 CD PRO A 116 18.454 -1.723 -10.140 1.00 53.50 C ATOM 0 HA PRO A 116 16.757 0.533 -11.769 1.00 55.21 H new ATOM 0 HB2 PRO A 116 19.097 -0.247 -13.046 1.00 60.11 H new ATOM 0 HB3 PRO A 116 19.156 0.679 -11.559 1.00 60.11 H new ATOM 0 HG2 PRO A 116 19.462 -2.292 -11.952 1.00 72.11 H new ATOM 0 HG3 PRO A 116 20.390 -1.217 -10.925 1.00 72.11 H new ATOM 0 HD2 PRO A 116 18.408 -2.790 -9.920 1.00 53.50 H new ATOM 0 HD3 PRO A 116 18.774 -1.223 -9.226 1.00 53.50 H new ATOM 1889 N ARG A 117 16.102 -2.281 -12.828 1.00 62.10 N ATOM 1890 CA ARG A 117 15.497 -3.052 -13.906 1.00 53.10 C ATOM 1891 C ARG A 117 13.974 -2.991 -13.830 1.00 50.43 C ATOM 1892 O ARG A 117 13.295 -2.879 -14.852 1.00 1.31 O ATOM 1893 CB ARG A 117 15.962 -4.508 -13.845 1.00 40.01 C ATOM 1894 CG ARG A 117 15.665 -5.187 -12.518 1.00 33.10 C ATOM 1895 CD ARG A 117 15.743 -6.701 -12.638 1.00 32.13 C ATOM 1896 NE ARG A 117 15.648 -7.358 -11.336 1.00 3.01 N ATOM 1897 CZ ARG A 117 15.240 -8.612 -11.174 1.00 22.22 C ATOM 1898 NH1 ARG A 117 14.891 -9.340 -12.225 1.00 54.04 N ATOM 1899 NH2 ARG A 117 15.182 -9.140 -9.958 1.00 14.30 N ATOM 0 H ARG A 117 16.024 -2.712 -11.907 1.00 62.10 H new ATOM 0 HA ARG A 117 15.815 -2.615 -14.853 1.00 53.10 H new ATOM 0 HB2 ARG A 117 15.480 -5.068 -14.646 1.00 40.01 H new ATOM 0 HB3 ARG A 117 17.035 -4.546 -14.031 1.00 40.01 H new ATOM 0 HG2 ARG A 117 16.375 -4.843 -11.765 1.00 33.10 H new ATOM 0 HG3 ARG A 117 14.671 -4.899 -12.175 1.00 33.10 H new ATOM 0 HD2 ARG A 117 14.939 -7.056 -13.283 1.00 32.13 H new ATOM 0 HD3 ARG A 117 16.682 -6.979 -13.117 1.00 32.13 H new ATOM 0 HE ARG A 117 15.909 -6.825 -10.507 1.00 3.01 H new ATOM 0 HH11 ARG A 117 14.935 -8.938 -13.161 1.00 54.04 H new ATOM 0 HH12 ARG A 117 14.578 -10.302 -12.098 1.00 54.04 H new ATOM 0 HH21 ARG A 117 15.451 -8.583 -9.147 1.00 14.30 H new ATOM 0 HH22 ARG A 117 14.869 -10.103 -9.834 1.00 14.30 H new ATOM 1913 N ASP A 118 13.444 -3.064 -12.614 1.00 61.34 N ATOM 1914 CA ASP A 118 12.001 -3.016 -12.404 1.00 44.15 C ATOM 1915 C ASP A 118 11.467 -1.604 -12.620 1.00 45.33 C ATOM 1916 O ASP A 118 10.476 -1.405 -13.322 1.00 23.11 O ATOM 1917 CB ASP A 118 11.654 -3.496 -10.995 1.00 22.43 C ATOM 1918 CG ASP A 118 11.404 -4.991 -10.937 1.00 11.21 C ATOM 1919 OD1 ASP A 118 12.385 -5.750 -10.793 1.00 71.21 O ATOM 1920 OD2 ASP A 118 10.228 -5.401 -11.036 1.00 0.21 O ATOM 0 H ASP A 118 13.992 -3.157 -11.759 1.00 61.34 H new ATOM 0 HA ASP A 118 11.530 -3.678 -13.131 1.00 44.15 H new ATOM 0 HB2 ASP A 118 12.468 -3.240 -10.317 1.00 22.43 H new ATOM 0 HB3 ASP A 118 10.768 -2.968 -10.643 1.00 22.43 H new ATOM 1925 N SER A 119 12.132 -0.626 -12.012 1.00 11.11 N ATOM 1926 CA SER A 119 11.721 0.768 -12.134 1.00 2.24 C ATOM 1927 C SER A 119 12.856 1.623 -12.688 1.00 65.31 C ATOM 1928 O SER A 119 13.577 2.296 -11.951 1.00 45.05 O ATOM 1929 CB SER A 119 11.276 1.311 -10.775 1.00 74.10 C ATOM 1930 OG SER A 119 10.304 2.332 -10.927 1.00 62.12 O ATOM 0 H SER A 119 12.957 -0.773 -11.431 1.00 11.11 H new ATOM 0 HA SER A 119 10.882 0.814 -12.829 1.00 2.24 H new ATOM 0 HB2 SER A 119 10.866 0.501 -10.173 1.00 74.10 H new ATOM 0 HB3 SER A 119 12.139 1.703 -10.236 1.00 74.10 H new ATOM 0 HG SER A 119 9.614 2.232 -10.238 1.00 62.12 H new ATOM 1936 N PRO A 120 13.021 1.594 -14.019 1.00 3.51 N ATOM 1937 CA PRO A 120 14.068 2.361 -14.703 1.00 34.22 C ATOM 1938 C PRO A 120 13.802 3.862 -14.669 1.00 54.34 C ATOM 1939 O PRO A 120 14.681 4.649 -14.316 1.00 54.33 O ATOM 1940 CB PRO A 120 14.006 1.840 -16.141 1.00 53.31 C ATOM 1941 CG PRO A 120 12.611 1.343 -16.304 1.00 42.22 C ATOM 1942 CD PRO A 120 12.200 0.814 -14.959 1.00 31.23 C ATOM 0 HA PRO A 120 15.042 2.234 -14.230 1.00 34.22 H new ATOM 0 HB2 PRO A 120 14.231 2.629 -16.858 1.00 53.31 H new ATOM 0 HB3 PRO A 120 14.732 1.043 -16.305 1.00 53.31 H new ATOM 0 HG2 PRO A 120 11.947 2.144 -16.628 1.00 42.22 H new ATOM 0 HG3 PRO A 120 12.561 0.562 -17.062 1.00 42.22 H new ATOM 0 HD2 PRO A 120 11.135 0.960 -14.778 1.00 31.23 H new ATOM 0 HD3 PRO A 120 12.395 -0.255 -14.871 1.00 31.23 H new ATOM 1950 N ARG A 121 12.586 4.253 -15.037 1.00 65.33 N ATOM 1951 CA ARG A 121 12.206 5.660 -15.049 1.00 63.21 C ATOM 1952 C ARG A 121 12.215 6.238 -13.637 1.00 63.51 C ATOM 1953 O ARG A 121 12.725 7.334 -13.407 1.00 50.43 O ATOM 1954 CB ARG A 121 10.820 5.831 -15.673 1.00 70.12 C ATOM 1955 CG ARG A 121 9.717 5.116 -14.910 1.00 13.21 C ATOM 1956 CD ARG A 121 8.597 4.670 -15.837 1.00 32.14 C ATOM 1957 NE ARG A 121 7.668 5.755 -16.136 1.00 53.32 N ATOM 1958 CZ ARG A 121 6.895 5.785 -17.216 1.00 2.24 C ATOM 1959 NH1 ARG A 121 6.939 4.793 -18.094 1.00 2.31 N ATOM 1960 NH2 ARG A 121 6.076 6.808 -17.419 1.00 13.21 N ATOM 0 H ARG A 121 11.847 3.614 -15.331 1.00 65.33 H new ATOM 0 HA ARG A 121 12.936 6.202 -15.649 1.00 63.21 H new ATOM 0 HB2 ARG A 121 10.583 6.894 -15.726 1.00 70.12 H new ATOM 0 HB3 ARG A 121 10.843 5.458 -16.697 1.00 70.12 H new ATOM 0 HG2 ARG A 121 10.132 4.249 -14.396 1.00 13.21 H new ATOM 0 HG3 ARG A 121 9.315 5.779 -14.144 1.00 13.21 H new ATOM 0 HD2 ARG A 121 9.024 4.293 -16.766 1.00 32.14 H new ATOM 0 HD3 ARG A 121 8.054 3.844 -15.378 1.00 32.14 H new ATOM 0 HE ARG A 121 7.609 6.533 -15.479 1.00 53.32 H new ATOM 0 HH11 ARG A 121 7.567 4.004 -17.941 1.00 2.31 H new ATOM 0 HH12 ARG A 121 6.344 4.818 -18.922 1.00 2.31 H new ATOM 0 HH21 ARG A 121 6.039 7.573 -16.745 1.00 13.21 H new ATOM 0 HH22 ARG A 121 5.483 6.830 -18.249 1.00 13.21 H new ATOM 1974 N TYR A 122 11.647 5.492 -12.696 1.00 2.41 N ATOM 1975 CA TYR A 122 11.587 5.931 -11.306 1.00 42.22 C ATOM 1976 C TYR A 122 12.726 5.322 -10.493 1.00 13.55 C ATOM 1977 O TYR A 122 12.862 4.104 -10.381 1.00 70.31 O ATOM 1978 CB TYR A 122 10.242 5.549 -10.686 1.00 43.35 C ATOM 1979 CG TYR A 122 9.071 5.725 -11.627 1.00 11.24 C ATOM 1980 CD1 TYR A 122 8.519 6.980 -11.854 1.00 21.34 C ATOM 1981 CD2 TYR A 122 8.516 4.636 -12.288 1.00 41.14 C ATOM 1982 CE1 TYR A 122 7.449 7.144 -12.712 1.00 0.21 C ATOM 1983 CE2 TYR A 122 7.447 4.792 -13.149 1.00 22.15 C ATOM 1984 CZ TYR A 122 6.917 6.047 -13.356 1.00 35.01 C ATOM 1985 OH TYR A 122 5.851 6.208 -14.212 1.00 72.20 O ATOM 0 H TYR A 122 11.222 4.581 -12.870 1.00 2.41 H new ATOM 0 HA TYR A 122 11.692 7.016 -11.289 1.00 42.22 H new ATOM 0 HB2 TYR A 122 10.283 4.509 -10.361 1.00 43.35 H new ATOM 0 HB3 TYR A 122 10.076 6.155 -9.795 1.00 43.35 H new ATOM 0 HD1 TYR A 122 8.933 7.841 -11.351 1.00 21.34 H new ATOM 0 HD2 TYR A 122 8.927 3.651 -12.126 1.00 41.14 H new ATOM 0 HE1 TYR A 122 7.031 8.126 -12.878 1.00 0.21 H new ATOM 0 HE2 TYR A 122 7.029 3.935 -13.657 1.00 22.15 H new ATOM 0 HH TYR A 122 5.597 5.338 -14.585 1.00 72.20 H new ATOM 1995 N PRO A 123 13.565 6.191 -9.909 1.00 74.03 N ATOM 1996 CA PRO A 123 14.705 5.764 -9.094 1.00 44.43 C ATOM 1997 C PRO A 123 14.272 5.143 -7.770 1.00 41.23 C ATOM 1998 O PRO A 123 14.904 4.210 -7.276 1.00 24.42 O ATOM 1999 CB PRO A 123 15.472 7.066 -8.847 1.00 44.24 C ATOM 2000 CG PRO A 123 14.446 8.139 -8.968 1.00 24.01 C ATOM 2001 CD PRO A 123 13.463 7.658 -9.999 1.00 42.14 C ATOM 0 HA PRO A 123 15.294 4.993 -9.591 1.00 44.43 H new ATOM 0 HB2 PRO A 123 15.936 7.071 -7.861 1.00 44.24 H new ATOM 0 HB3 PRO A 123 16.272 7.199 -9.576 1.00 44.24 H new ATOM 0 HG2 PRO A 123 13.953 8.317 -8.012 1.00 24.01 H new ATOM 0 HG3 PRO A 123 14.901 9.081 -9.273 1.00 24.01 H new ATOM 0 HD2 PRO A 123 12.452 8.005 -9.783 1.00 42.14 H new ATOM 0 HD3 PRO A 123 13.717 8.018 -10.996 1.00 42.14 H new ATOM 2009 N VAL A 124 13.191 5.666 -7.203 1.00 12.14 N ATOM 2010 CA VAL A 124 12.672 5.161 -5.936 1.00 62.14 C ATOM 2011 C VAL A 124 11.224 4.707 -6.078 1.00 52.12 C ATOM 2012 O VAL A 124 10.531 5.089 -7.022 1.00 10.43 O ATOM 2013 CB VAL A 124 12.759 6.227 -4.829 1.00 75.21 C ATOM 2014 CG1 VAL A 124 11.517 7.107 -4.836 1.00 24.14 C ATOM 2015 CG2 VAL A 124 12.949 5.570 -3.470 1.00 64.20 C ATOM 0 H VAL A 124 12.657 6.439 -7.600 1.00 12.14 H new ATOM 0 HA VAL A 124 13.291 4.308 -5.657 1.00 62.14 H new ATOM 0 HB VAL A 124 13.625 6.860 -5.025 1.00 75.21 H new ATOM 0 HG11 VAL A 124 11.596 7.855 -4.047 1.00 24.14 H new ATOM 0 HG12 VAL A 124 11.430 7.606 -5.801 1.00 24.14 H new ATOM 0 HG13 VAL A 124 10.634 6.491 -4.665 1.00 24.14 H new ATOM 0 HG21 VAL A 124 13.008 6.339 -2.699 1.00 64.20 H new ATOM 0 HG22 VAL A 124 12.105 4.913 -3.262 1.00 64.20 H new ATOM 0 HG23 VAL A 124 13.870 4.987 -3.473 1.00 64.20 H new ATOM 2025 N VAL A 125 10.770 3.889 -5.134 1.00 42.22 N ATOM 2026 CA VAL A 125 9.402 3.383 -5.151 1.00 44.44 C ATOM 2027 C VAL A 125 8.908 3.089 -3.740 1.00 32.53 C ATOM 2028 O VAL A 125 9.686 2.818 -2.826 1.00 62.10 O ATOM 2029 CB VAL A 125 9.287 2.105 -6.002 1.00 64.33 C ATOM 2030 CG1 VAL A 125 9.460 2.428 -7.479 1.00 3.13 C ATOM 2031 CG2 VAL A 125 10.309 1.072 -5.552 1.00 1.33 C ATOM 0 H VAL A 125 11.330 3.562 -4.347 1.00 42.22 H new ATOM 0 HA VAL A 125 8.781 4.162 -5.594 1.00 44.44 H new ATOM 0 HB VAL A 125 8.291 1.685 -5.861 1.00 64.33 H new ATOM 0 HG11 VAL A 125 9.376 1.512 -8.064 1.00 3.13 H new ATOM 0 HG12 VAL A 125 8.687 3.130 -7.791 1.00 3.13 H new ATOM 0 HG13 VAL A 125 10.442 2.873 -7.642 1.00 3.13 H new ATOM 0 HG21 VAL A 125 10.214 0.175 -6.164 1.00 1.33 H new ATOM 0 HG22 VAL A 125 11.313 1.482 -5.662 1.00 1.33 H new ATOM 0 HG23 VAL A 125 10.134 0.818 -4.507 1.00 1.33 H new ATOM 2041 N PRO A 126 7.580 3.140 -3.556 1.00 12.42 N ATOM 2042 CA PRO A 126 6.950 2.881 -2.258 1.00 30.21 C ATOM 2043 C PRO A 126 7.048 1.415 -1.850 1.00 34.54 C ATOM 2044 O PRO A 126 6.704 0.520 -2.623 1.00 2.30 O ATOM 2045 CB PRO A 126 5.489 3.275 -2.487 1.00 72.14 C ATOM 2046 CG PRO A 126 5.278 3.113 -3.954 1.00 52.32 C ATOM 2047 CD PRO A 126 6.591 3.457 -4.601 1.00 10.52 C ATOM 0 HA PRO A 126 7.433 3.434 -1.453 1.00 30.21 H new ATOM 0 HB2 PRO A 126 4.813 2.637 -1.917 1.00 72.14 H new ATOM 0 HB3 PRO A 126 5.302 4.301 -2.171 1.00 72.14 H new ATOM 0 HG2 PRO A 126 4.979 2.093 -4.195 1.00 52.32 H new ATOM 0 HG3 PRO A 126 4.484 3.770 -4.309 1.00 52.32 H new ATOM 0 HD2 PRO A 126 6.759 2.871 -5.505 1.00 10.52 H new ATOM 0 HD3 PRO A 126 6.634 4.507 -4.889 1.00 10.52 H new ATOM 2055 N VAL A 127 7.518 1.175 -0.630 1.00 53.24 N ATOM 2056 CA VAL A 127 7.659 -0.183 -0.118 1.00 52.53 C ATOM 2057 C VAL A 127 7.113 -0.295 1.301 1.00 73.05 C ATOM 2058 O VAL A 127 7.354 -1.283 1.994 1.00 22.11 O ATOM 2059 CB VAL A 127 9.132 -0.636 -0.127 1.00 54.20 C ATOM 2060 CG1 VAL A 127 9.633 -0.791 -1.554 1.00 44.30 C ATOM 2061 CG2 VAL A 127 9.995 0.348 0.647 1.00 50.33 C ATOM 0 H VAL A 127 7.808 1.904 0.022 1.00 53.24 H new ATOM 0 HA VAL A 127 7.083 -0.832 -0.778 1.00 52.53 H new ATOM 0 HB VAL A 127 9.200 -1.607 0.363 1.00 54.20 H new ATOM 0 HG11 VAL A 127 10.675 -1.111 -1.541 1.00 44.30 H new ATOM 0 HG12 VAL A 127 9.030 -1.537 -2.072 1.00 44.30 H new ATOM 0 HG13 VAL A 127 9.554 0.164 -2.073 1.00 44.30 H new ATOM 0 HG21 VAL A 127 11.032 0.013 0.631 1.00 50.33 H new ATOM 0 HG22 VAL A 127 9.925 1.334 0.187 1.00 50.33 H new ATOM 0 HG23 VAL A 127 9.648 0.403 1.679 1.00 50.33 H new ATOM 2071 N HIS A 128 6.374 0.724 1.727 1.00 12.40 N ATOM 2072 CA HIS A 128 5.792 0.740 3.065 1.00 72.34 C ATOM 2073 C HIS A 128 4.713 1.814 3.175 1.00 52.23 C ATOM 2074 O HIS A 128 4.919 2.960 2.770 1.00 64.42 O ATOM 2075 CB HIS A 128 6.877 0.981 4.114 1.00 31.32 C ATOM 2076 CG HIS A 128 6.359 1.580 5.385 1.00 42.12 C ATOM 2077 ND1 HIS A 128 5.709 2.744 5.614 1.00 50.44 N flip ATOM 2078 CD2 HIS A 128 6.488 0.966 6.613 1.00 12.52 C flip ATOM 2079 CE1 HIS A 128 5.459 2.813 6.963 1.00 14.53 C flip ATOM 2080 NE2 HIS A 128 5.939 1.727 7.542 1.00 20.22 N flip ATOM 0 H HIS A 128 6.164 1.549 1.166 1.00 12.40 H new ATOM 0 HA HIS A 128 5.333 -0.232 3.246 1.00 72.34 H new ATOM 0 HB2 HIS A 128 7.367 0.035 4.342 1.00 31.32 H new ATOM 0 HB3 HIS A 128 7.636 1.641 3.694 1.00 31.32 H new ATOM 0 HD2 HIS A 128 6.964 0.012 6.788 1.00 12.52 H new ATOM 0 HE1 HIS A 128 4.953 3.623 7.468 1.00 14.53 H new ATOM 0 HE2 HIS A 128 5.893 1.513 8.538 1.00 20.22 H new ATOM 2089 N LEU A 129 3.564 1.438 3.724 1.00 62.02 N ATOM 2090 CA LEU A 129 2.453 2.368 3.887 1.00 40.04 C ATOM 2091 C LEU A 129 2.269 2.745 5.353 1.00 0.35 C ATOM 2092 O LEU A 129 1.769 1.951 6.151 1.00 21.32 O ATOM 2093 CB LEU A 129 1.163 1.754 3.340 1.00 31.23 C ATOM 2094 CG LEU A 129 0.130 2.740 2.791 1.00 62.21 C ATOM 2095 CD1 LEU A 129 -0.644 3.390 3.926 1.00 1.41 C ATOM 2096 CD2 LEU A 129 0.807 3.796 1.930 1.00 44.32 C ATOM 0 H LEU A 129 3.377 0.495 4.064 1.00 62.02 H new ATOM 0 HA LEU A 129 2.684 3.273 3.325 1.00 40.04 H new ATOM 0 HB2 LEU A 129 1.425 1.054 2.547 1.00 31.23 H new ATOM 0 HB3 LEU A 129 0.695 1.174 4.135 1.00 31.23 H new ATOM 0 HG LEU A 129 -0.575 2.189 2.168 1.00 62.21 H new ATOM 0 HD11 LEU A 129 -1.374 4.088 3.516 1.00 1.41 H new ATOM 0 HD12 LEU A 129 -1.160 2.621 4.501 1.00 1.41 H new ATOM 0 HD13 LEU A 129 0.046 3.927 4.576 1.00 1.41 H new ATOM 0 HD21 LEU A 129 0.058 4.489 1.548 1.00 44.32 H new ATOM 0 HD22 LEU A 129 1.534 4.343 2.530 1.00 44.32 H new ATOM 0 HD23 LEU A 129 1.315 3.314 1.095 1.00 44.32 H new ATOM 2108 N ASP A 130 2.674 3.961 5.702 1.00 52.22 N ATOM 2109 CA ASP A 130 2.551 4.445 7.072 1.00 53.11 C ATOM 2110 C ASP A 130 1.085 4.555 7.480 1.00 53.14 C ATOM 2111 O ASP A 130 0.648 3.927 8.444 1.00 13.15 O ATOM 2112 CB ASP A 130 3.238 5.803 7.219 1.00 10.14 C ATOM 2113 CG ASP A 130 3.945 5.953 8.552 1.00 4.44 C ATOM 2114 OD1 ASP A 130 3.680 5.136 9.459 1.00 35.02 O ATOM 2115 OD2 ASP A 130 4.763 6.887 8.689 1.00 25.43 O ATOM 0 H ASP A 130 3.091 4.630 5.055 1.00 52.22 H new ATOM 0 HA ASP A 130 3.039 3.727 7.730 1.00 53.11 H new ATOM 0 HB2 ASP A 130 3.959 5.931 6.412 1.00 10.14 H new ATOM 0 HB3 ASP A 130 2.497 6.595 7.113 1.00 10.14 H new ATOM 2120 N THR A 131 0.329 5.360 6.739 1.00 72.12 N ATOM 2121 CA THR A 131 -1.087 5.556 7.025 1.00 73.43 C ATOM 2122 C THR A 131 -1.762 6.369 5.926 1.00 43.21 C ATOM 2123 O THR A 131 -1.126 6.755 4.944 1.00 75.31 O ATOM 2124 CB THR A 131 -1.295 6.266 8.375 1.00 51.23 C ATOM 2125 OG1 THR A 131 -2.683 6.560 8.565 1.00 33.22 O ATOM 2126 CG2 THR A 131 -0.486 7.553 8.440 1.00 52.21 C ATOM 0 H THR A 131 0.674 5.887 5.936 1.00 72.12 H new ATOM 0 HA THR A 131 -1.540 4.566 7.071 1.00 73.43 H new ATOM 0 HB THR A 131 -0.953 5.600 9.167 1.00 51.23 H new ATOM 0 HG1 THR A 131 -3.184 5.724 8.667 1.00 33.22 H new ATOM 0 HG21 THR A 131 -0.649 8.037 9.403 1.00 52.21 H new ATOM 0 HG22 THR A 131 0.573 7.323 8.324 1.00 52.21 H new ATOM 0 HG23 THR A 131 -0.802 8.222 7.640 1.00 52.21 H new ATOM 2134 N THR A 132 -3.055 6.627 6.096 1.00 14.41 N ATOM 2135 CA THR A 132 -3.817 7.395 5.119 1.00 20.32 C ATOM 2136 C THR A 132 -4.549 8.556 5.782 1.00 34.04 C ATOM 2137 O THR A 132 -5.487 8.351 6.554 1.00 4.32 O ATOM 2138 CB THR A 132 -4.841 6.509 4.384 1.00 1.40 C ATOM 2139 OG1 THR A 132 -5.425 5.574 5.297 1.00 1.01 O ATOM 2140 CG2 THR A 132 -4.182 5.761 3.236 1.00 22.41 C ATOM 0 H THR A 132 -3.597 6.315 6.902 1.00 14.41 H new ATOM 0 HA THR A 132 -3.101 7.786 4.396 1.00 20.32 H new ATOM 0 HB THR A 132 -5.621 7.153 3.977 1.00 1.40 H new ATOM 0 HG1 THR A 132 -5.720 6.045 6.104 1.00 1.01 H new ATOM 0 HG21 THR A 132 -4.924 5.142 2.732 1.00 22.41 H new ATOM 0 HG22 THR A 132 -3.764 6.477 2.528 1.00 22.41 H new ATOM 0 HG23 THR A 132 -3.385 5.128 3.625 1.00 22.41 H new ATOM 2148 N ILE A 133 -4.117 9.774 5.475 1.00 15.45 N ATOM 2149 CA ILE A 133 -4.735 10.968 6.040 1.00 4.31 C ATOM 2150 C ILE A 133 -5.125 11.955 4.946 1.00 11.14 C ATOM 2151 O ILE A 133 -5.760 12.976 5.214 1.00 33.11 O ATOM 2152 CB ILE A 133 -3.793 11.670 7.038 1.00 62.41 C ATOM 2153 CG1 ILE A 133 -3.142 10.643 7.966 1.00 4.23 C ATOM 2154 CG2 ILE A 133 -4.556 12.711 7.842 1.00 44.33 C ATOM 2155 CD1 ILE A 133 -1.763 11.047 8.440 1.00 34.22 C ATOM 0 H ILE A 133 -3.342 9.961 4.839 1.00 15.45 H new ATOM 0 HA ILE A 133 -5.631 10.641 6.567 1.00 4.31 H new ATOM 0 HB ILE A 133 -3.006 12.176 6.479 1.00 62.41 H new ATOM 0 HG12 ILE A 133 -3.785 10.489 8.833 1.00 4.23 H new ATOM 0 HG13 ILE A 133 -3.073 9.687 7.446 1.00 4.23 H new ATOM 0 HG21 ILE A 133 -3.878 13.198 8.543 1.00 44.33 H new ATOM 0 HG22 ILE A 133 -4.977 13.456 7.166 1.00 44.33 H new ATOM 0 HG23 ILE A 133 -5.361 12.226 8.394 1.00 44.33 H new ATOM 0 HD11 ILE A 133 -1.362 10.273 9.094 1.00 34.22 H new ATOM 0 HD12 ILE A 133 -1.105 11.173 7.580 1.00 34.22 H new ATOM 0 HD13 ILE A 133 -1.828 11.987 8.988 1.00 34.22 H new TER 2167 ILE A 133