USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1060 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 SER OG : rot -113:sc= 0.419 USER MOD Set 1.2: A 107 TYR OH : rot 180:sc= -0.0792 USER MOD Set 2.1: A 40 GLN : amide:sc= -0.0404 X(o=-0.65,f=-0.55) USER MOD Set 2.2: A 82 HIS : no HD1:sc= -0.606 K(o=-0.65,f=-1.2) USER MOD Set 3.1: A 46 THR OG1 : rot 156:sc= -1.35 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= -1.03! USER MOD Set 3.3: A 50 ASN : amide:sc= -1.67! K(o=-4.1!,f=0.24) USER MOD Set 4.1: A 27 MET CE :methyl 140:sc= -1.98 (180deg=-2.87!) USER MOD Set 4.2: A 31 ASN : amide:sc= -2.62! C(o=-3.6!,f=-3.9!) USER MOD Set 4.3: A 98 TYR OH : rot 57:sc= 0.954 USER MOD Single : A 4 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.011) USER MOD Single : A 6 THR OG1 : rot -104:sc= -0.374 USER MOD Single : A 9 GLN : amide:sc= -6.31! K(o=-6.3!,f=-1.7) USER MOD Single : A 14 GLN : amide:sc= -7.27! C(o=-7.3!,f=-10!) USER MOD Single : A 15 HIS : no HD1:sc= -2.75! K(o=-2.7!,f=0.31) USER MOD Single : A 17 SER OG : rot 23:sc= 1.27 USER MOD Single : A 19 ASN : amide:sc= -0.499 K(o=-0.5,f=0.0028) 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) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0155) USER MOD Single : A 39 ASN : amide:sc= -0.0755 K(o=-0.076,f=-2.1!) USER MOD Single : A 41 ASN : amide:sc= -7.62! C(o=-7.6!,f=-4.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.013) USER MOD Single : A 57 ASN : amide:sc= -2.67! X(o=-2.7!,f=-2.3) USER MOD Single : A 58 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.17) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-5.5!) USER MOD Single : A 65 ASN : amide:sc= -0.636 K(o=-0.64,f=-1.2) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.568 K(o=-0.57,f=-1.4!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 72 HIS : no HE2:sc= -4.77! C(o=-4.8!,f=-4.9!) USER MOD Single : A 87 ASN : amide:sc= -4.12! C(o=-4.1!,f=-7.4!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.353 K(o=-0.35,f=0.28) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 158:sc= -1.17 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-1.2!) USER MOD Single : A 131 THR OG1 : rot 180:sc=-0.00285 USER MOD Single : A 132 THR OG1 : rot 48:sc= 0.00425 USER MOD ----------------------------------------------------------------- ATOM 25 N PRO A 2 7.211 -11.832 -2.573 1.00 25.32 N ATOM 26 CA PRO A 2 7.890 -12.794 -3.447 1.00 35.41 C ATOM 27 C PRO A 2 8.821 -12.114 -4.444 1.00 73.22 C ATOM 28 O PRO A 2 8.812 -10.894 -4.606 1.00 53.44 O ATOM 29 CB PRO A 2 6.735 -13.484 -4.177 1.00 21.40 C ATOM 30 CG PRO A 2 5.624 -12.492 -4.155 1.00 63.00 C ATOM 31 CD PRO A 2 5.770 -11.736 -2.863 1.00 20.13 C ATOM 0 HA PRO A 2 8.527 -13.478 -2.886 1.00 35.41 H new ATOM 0 HB2 PRO A 2 7.012 -13.745 -5.198 1.00 21.40 H new ATOM 0 HB3 PRO A 2 6.449 -14.410 -3.678 1.00 21.40 H new ATOM 0 HG2 PRO A 2 5.685 -11.819 -5.010 1.00 63.00 H new ATOM 0 HG3 PRO A 2 4.656 -12.989 -4.209 1.00 63.00 H new ATOM 0 HD2 PRO A 2 5.449 -10.699 -2.965 1.00 20.13 H new ATOM 0 HD3 PRO A 2 5.170 -12.179 -2.068 1.00 20.13 H new ATOM 39 N PRO A 3 9.643 -12.920 -5.132 1.00 34.51 N ATOM 40 CA PRO A 3 10.595 -12.418 -6.127 1.00 61.31 C ATOM 41 C PRO A 3 9.901 -11.895 -7.380 1.00 61.02 C ATOM 42 O PRO A 3 10.342 -10.915 -7.981 1.00 30.34 O ATOM 43 CB PRO A 3 11.443 -13.648 -6.458 1.00 72.35 C ATOM 44 CG PRO A 3 10.562 -14.810 -6.152 1.00 62.01 C ATOM 45 CD PRO A 3 9.707 -14.385 -4.990 1.00 74.05 C ATOM 0 HA PRO A 3 11.173 -11.574 -5.750 1.00 61.31 H new ATOM 0 HB2 PRO A 3 11.749 -13.648 -7.504 1.00 72.35 H new ATOM 0 HB3 PRO A 3 12.354 -13.673 -5.860 1.00 72.35 H new ATOM 0 HG2 PRO A 3 9.948 -15.072 -7.014 1.00 62.01 H new ATOM 0 HG3 PRO A 3 11.152 -15.692 -5.901 1.00 62.01 H new ATOM 0 HD2 PRO A 3 8.716 -14.837 -5.034 1.00 74.05 H new ATOM 0 HD3 PRO A 3 10.149 -14.678 -4.038 1.00 74.05 H new ATOM 53 N GLN A 4 8.815 -12.555 -7.768 1.00 63.41 N ATOM 54 CA GLN A 4 8.061 -12.155 -8.952 1.00 22.32 C ATOM 55 C GLN A 4 7.707 -10.673 -8.896 1.00 33.32 C ATOM 56 O GLN A 4 7.576 -10.017 -9.929 1.00 42.41 O ATOM 57 CB GLN A 4 6.788 -12.993 -9.077 1.00 63.21 C ATOM 58 CG GLN A 4 6.335 -13.199 -10.514 1.00 61.21 C ATOM 59 CD GLN A 4 5.599 -14.510 -10.712 1.00 2.21 C ATOM 60 OE1 GLN A 4 4.451 -14.530 -11.157 1.00 50.51 O ATOM 61 NE2 GLN A 4 6.257 -15.615 -10.380 1.00 12.03 N ATOM 0 H GLN A 4 8.437 -13.368 -7.281 1.00 63.41 H new ATOM 0 HA GLN A 4 8.687 -12.326 -9.828 1.00 22.32 H new ATOM 0 HB2 GLN A 4 6.956 -13.966 -8.615 1.00 63.21 H new ATOM 0 HB3 GLN A 4 5.987 -12.508 -8.518 1.00 63.21 H new ATOM 0 HG2 GLN A 4 5.686 -12.374 -10.808 1.00 61.21 H new ATOM 0 HG3 GLN A 4 7.203 -13.171 -11.172 1.00 61.21 H new ATOM 0 HE21 GLN A 4 7.207 -15.552 -10.015 1.00 12.03 H new ATOM 0 HE22 GLN A 4 5.812 -16.526 -10.490 1.00 12.03 H new ATOM 70 N PHE A 5 7.549 -10.152 -7.683 1.00 21.42 N ATOM 71 CA PHE A 5 7.207 -8.748 -7.492 1.00 41.21 C ATOM 72 C PHE A 5 8.255 -8.045 -6.634 1.00 61.24 C ATOM 73 O PHE A 5 8.470 -8.404 -5.476 1.00 73.05 O ATOM 74 CB PHE A 5 5.829 -8.621 -6.841 1.00 24.21 C ATOM 75 CG PHE A 5 4.787 -9.503 -7.465 1.00 20.41 C ATOM 76 CD1 PHE A 5 4.550 -9.459 -8.830 1.00 32.21 C ATOM 77 CD2 PHE A 5 4.044 -10.378 -6.688 1.00 61.03 C ATOM 78 CE1 PHE A 5 3.590 -10.269 -9.407 1.00 64.14 C ATOM 79 CE2 PHE A 5 3.084 -11.192 -7.260 1.00 53.35 C ATOM 80 CZ PHE A 5 2.857 -11.138 -8.622 1.00 40.33 C ATOM 0 H PHE A 5 7.653 -10.682 -6.818 1.00 21.42 H new ATOM 0 HA PHE A 5 7.184 -8.269 -8.471 1.00 41.21 H new ATOM 0 HB2 PHE A 5 5.913 -8.865 -5.782 1.00 24.21 H new ATOM 0 HB3 PHE A 5 5.500 -7.584 -6.904 1.00 24.21 H new ATOM 0 HD1 PHE A 5 5.122 -8.784 -9.450 1.00 32.21 H new ATOM 0 HD2 PHE A 5 4.217 -10.424 -5.623 1.00 61.03 H new ATOM 0 HE1 PHE A 5 3.413 -10.223 -10.471 1.00 64.14 H new ATOM 0 HE2 PHE A 5 2.512 -11.869 -6.643 1.00 53.35 H new ATOM 0 HZ PHE A 5 2.108 -11.774 -9.072 1.00 40.33 H new ATOM 90 N THR A 6 8.907 -7.040 -7.212 1.00 33.12 N ATOM 91 CA THR A 6 9.933 -6.287 -6.503 1.00 40.20 C ATOM 92 C THR A 6 9.398 -5.735 -5.186 1.00 3.52 C ATOM 93 O THR A 6 8.268 -6.026 -4.793 1.00 42.12 O ATOM 94 CB THR A 6 10.465 -5.121 -7.357 1.00 1.30 C ATOM 95 OG1 THR A 6 9.447 -4.667 -8.254 1.00 75.15 O ATOM 96 CG2 THR A 6 11.693 -5.545 -8.147 1.00 13.21 C ATOM 0 H THR A 6 8.742 -6.729 -8.169 1.00 33.12 H new ATOM 0 HA THR A 6 10.749 -6.980 -6.299 1.00 40.20 H new ATOM 0 HB THR A 6 10.747 -4.308 -6.688 1.00 1.30 H new ATOM 0 HG1 THR A 6 9.640 -4.991 -9.159 1.00 75.15 H new ATOM 0 HG21 THR A 6 12.051 -4.705 -8.742 1.00 13.21 H new ATOM 0 HG22 THR A 6 12.477 -5.862 -7.459 1.00 13.21 H new ATOM 0 HG23 THR A 6 11.433 -6.373 -8.807 1.00 13.21 H new ATOM 104 N ARG A 7 10.218 -4.937 -4.508 1.00 20.45 N ATOM 105 CA ARG A 7 9.827 -4.345 -3.234 1.00 60.21 C ATOM 106 C ARG A 7 8.816 -3.221 -3.445 1.00 22.33 C ATOM 107 O ARG A 7 7.950 -2.986 -2.603 1.00 51.12 O ATOM 108 CB ARG A 7 11.056 -3.809 -2.498 1.00 73.11 C ATOM 109 CG ARG A 7 11.819 -4.876 -1.731 1.00 43.02 C ATOM 110 CD ARG A 7 11.312 -5.006 -0.304 1.00 13.31 C ATOM 111 NE ARG A 7 11.981 -6.083 0.420 1.00 31.51 N ATOM 112 CZ ARG A 7 13.183 -5.962 0.972 1.00 12.21 C ATOM 113 NH1 ARG A 7 13.844 -4.816 0.884 1.00 20.40 N ATOM 114 NH2 ARG A 7 13.727 -6.988 1.614 1.00 70.54 N ATOM 0 H ARG A 7 11.156 -4.686 -4.820 1.00 20.45 H new ATOM 0 HA ARG A 7 9.360 -5.122 -2.629 1.00 60.21 H new ATOM 0 HB2 ARG A 7 11.727 -3.343 -3.220 1.00 73.11 H new ATOM 0 HB3 ARG A 7 10.742 -3.029 -1.804 1.00 73.11 H new ATOM 0 HG2 ARG A 7 11.720 -5.834 -2.242 1.00 43.02 H new ATOM 0 HG3 ARG A 7 12.881 -4.629 -1.720 1.00 43.02 H new ATOM 0 HD2 ARG A 7 11.467 -4.064 0.223 1.00 13.31 H new ATOM 0 HD3 ARG A 7 10.238 -5.191 -0.317 1.00 13.31 H new ATOM 0 HE ARG A 7 11.499 -6.978 0.507 1.00 31.51 H new ATOM 0 HH11 ARG A 7 13.430 -4.025 0.392 1.00 20.40 H new ATOM 0 HH12 ARG A 7 14.767 -4.726 1.309 1.00 20.40 H new ATOM 0 HH21 ARG A 7 13.222 -7.871 1.684 1.00 70.54 H new ATOM 0 HH22 ARG A 7 14.650 -6.893 2.037 1.00 70.54 H new ATOM 128 N ALA A 8 8.934 -2.530 -4.574 1.00 1.11 N ATOM 129 CA ALA A 8 8.031 -1.432 -4.896 1.00 3.14 C ATOM 130 C ALA A 8 6.815 -1.930 -5.670 1.00 50.23 C ATOM 131 O ALA A 8 5.686 -1.854 -5.186 1.00 40.35 O ATOM 132 CB ALA A 8 8.764 -0.362 -5.690 1.00 74.04 C ATOM 0 H ALA A 8 9.646 -2.711 -5.281 1.00 1.11 H new ATOM 0 HA ALA A 8 7.679 -0.997 -3.961 1.00 3.14 H new ATOM 0 HB1 ALA A 8 8.078 0.452 -5.924 1.00 74.04 H new ATOM 0 HB2 ALA A 8 9.596 0.023 -5.100 1.00 74.04 H new ATOM 0 HB3 ALA A 8 9.145 -0.793 -6.616 1.00 74.04 H new ATOM 138 N GLN A 9 7.055 -2.439 -6.873 1.00 62.53 N ATOM 139 CA GLN A 9 5.978 -2.948 -7.715 1.00 63.15 C ATOM 140 C GLN A 9 5.011 -3.805 -6.904 1.00 42.12 C ATOM 141 O GLN A 9 3.824 -3.884 -7.218 1.00 24.23 O ATOM 142 CB GLN A 9 6.552 -3.765 -8.875 1.00 61.42 C ATOM 143 CG GLN A 9 6.594 -5.260 -8.603 1.00 43.54 C ATOM 144 CD GLN A 9 5.393 -5.991 -9.172 1.00 43.13 C ATOM 145 OE1 GLN A 9 5.363 -6.333 -10.355 1.00 4.15 O ATOM 146 NE2 GLN A 9 4.395 -6.234 -8.330 1.00 42.14 N ATOM 0 H GLN A 9 7.984 -2.510 -7.287 1.00 62.53 H new ATOM 0 HA GLN A 9 5.430 -2.095 -8.116 1.00 63.15 H new ATOM 0 HB2 GLN A 9 5.954 -3.583 -9.768 1.00 61.42 H new ATOM 0 HB3 GLN A 9 7.561 -3.415 -9.091 1.00 61.42 H new ATOM 0 HG2 GLN A 9 7.505 -5.678 -9.031 1.00 43.54 H new ATOM 0 HG3 GLN A 9 6.641 -5.429 -7.527 1.00 43.54 H new ATOM 0 HE21 GLN A 9 4.463 -5.932 -7.358 1.00 42.14 H new ATOM 0 HE22 GLN A 9 3.561 -6.722 -8.655 1.00 42.14 H new ATOM 155 N TRP A 10 5.528 -4.443 -5.860 1.00 22.41 N ATOM 156 CA TRP A 10 4.711 -5.295 -5.004 1.00 75.42 C ATOM 157 C TRP A 10 4.013 -4.473 -3.926 1.00 0.43 C ATOM 158 O TRP A 10 2.934 -4.834 -3.456 1.00 62.41 O ATOM 159 CB TRP A 10 5.572 -6.380 -4.358 1.00 20.53 C ATOM 160 CG TRP A 10 4.771 -7.428 -3.643 1.00 74.15 C ATOM 161 CD1 TRP A 10 4.952 -7.867 -2.363 1.00 51.10 C ATOM 162 CD2 TRP A 10 3.665 -8.168 -4.171 1.00 32.02 C ATOM 163 NE1 TRP A 10 4.025 -8.835 -2.063 1.00 20.22 N ATOM 164 CE2 TRP A 10 3.223 -9.038 -3.154 1.00 54.32 C ATOM 165 CE3 TRP A 10 3.003 -8.179 -5.402 1.00 21.14 C ATOM 166 CZ2 TRP A 10 2.151 -9.908 -3.334 1.00 51.31 C ATOM 167 CZ3 TRP A 10 1.939 -9.044 -5.578 1.00 22.20 C ATOM 168 CH2 TRP A 10 1.522 -9.899 -4.549 1.00 55.42 C ATOM 0 H TRP A 10 6.509 -4.386 -5.586 1.00 22.41 H new ATOM 0 HA TRP A 10 3.950 -5.768 -5.624 1.00 75.42 H new ATOM 0 HB2 TRP A 10 6.178 -6.858 -5.127 1.00 20.53 H new ATOM 0 HB3 TRP A 10 6.261 -5.915 -3.652 1.00 20.53 H new ATOM 0 HD1 TRP A 10 5.712 -7.506 -1.686 1.00 51.10 H new ATOM 0 HE1 TRP A 10 3.947 -9.324 -1.171 1.00 20.22 H new ATOM 0 HE3 TRP A 10 3.317 -7.524 -6.201 1.00 21.14 H new ATOM 0 HZ2 TRP A 10 1.827 -10.567 -2.542 1.00 51.31 H new ATOM 0 HZ3 TRP A 10 1.420 -9.061 -6.525 1.00 22.20 H new ATOM 0 HH2 TRP A 10 0.688 -10.564 -4.718 1.00 55.42 H new ATOM 179 N PHE A 11 4.636 -3.365 -3.537 1.00 0.05 N ATOM 180 CA PHE A 11 4.075 -2.492 -2.513 1.00 2.45 C ATOM 181 C PHE A 11 2.730 -1.926 -2.957 1.00 73.22 C ATOM 182 O PHE A 11 1.747 -1.981 -2.220 1.00 15.15 O ATOM 183 CB PHE A 11 5.044 -1.349 -2.200 1.00 0.33 C ATOM 184 CG PHE A 11 4.359 -0.084 -1.770 1.00 14.12 C ATOM 185 CD1 PHE A 11 3.789 0.764 -2.706 1.00 43.43 C ATOM 186 CD2 PHE A 11 4.283 0.257 -0.428 1.00 43.14 C ATOM 187 CE1 PHE A 11 3.160 1.930 -2.313 1.00 34.13 C ATOM 188 CE2 PHE A 11 3.654 1.421 -0.029 1.00 20.12 C ATOM 189 CZ PHE A 11 3.090 2.259 -0.973 1.00 30.33 C ATOM 0 H PHE A 11 5.529 -3.051 -3.916 1.00 0.05 H new ATOM 0 HA PHE A 11 3.920 -3.085 -1.612 1.00 2.45 H new ATOM 0 HB2 PHE A 11 5.728 -1.668 -1.413 1.00 0.33 H new ATOM 0 HB3 PHE A 11 5.648 -1.143 -3.084 1.00 0.33 H new ATOM 0 HD1 PHE A 11 3.837 0.511 -3.755 1.00 43.43 H new ATOM 0 HD2 PHE A 11 4.720 -0.395 0.314 1.00 43.14 H new ATOM 0 HE1 PHE A 11 2.723 2.584 -3.053 1.00 34.13 H new ATOM 0 HE2 PHE A 11 3.603 1.676 1.019 1.00 20.12 H new ATOM 0 HZ PHE A 11 2.596 3.168 -0.664 1.00 30.33 H new ATOM 199 N ALA A 12 2.695 -1.382 -4.169 1.00 53.22 N ATOM 200 CA ALA A 12 1.471 -0.807 -4.714 1.00 71.13 C ATOM 201 C ALA A 12 0.418 -1.884 -4.952 1.00 21.30 C ATOM 202 O ALA A 12 -0.783 -1.614 -4.894 1.00 4.22 O ATOM 203 CB ALA A 12 1.768 -0.062 -6.006 1.00 70.42 C ATOM 0 H ALA A 12 3.500 -1.327 -4.792 1.00 53.22 H new ATOM 0 HA ALA A 12 1.073 -0.102 -3.984 1.00 71.13 H new ATOM 0 HB1 ALA A 12 0.845 0.362 -6.402 1.00 70.42 H new ATOM 0 HB2 ALA A 12 2.480 0.739 -5.809 1.00 70.42 H new ATOM 0 HB3 ALA A 12 2.192 -0.753 -6.735 1.00 70.42 H new ATOM 209 N ILE A 13 0.874 -3.102 -5.220 1.00 3.03 N ATOM 210 CA ILE A 13 -0.030 -4.219 -5.466 1.00 40.33 C ATOM 211 C ILE A 13 -1.022 -4.386 -4.320 1.00 71.14 C ATOM 212 O ILE A 13 -2.197 -4.676 -4.542 1.00 23.41 O ATOM 213 CB ILE A 13 0.743 -5.538 -5.658 1.00 12.33 C ATOM 214 CG1 ILE A 13 1.220 -5.669 -7.105 1.00 71.13 C ATOM 215 CG2 ILE A 13 -0.129 -6.723 -5.271 1.00 41.13 C ATOM 216 CD1 ILE A 13 0.281 -6.469 -7.980 1.00 60.22 C ATOM 0 H ILE A 13 1.864 -3.341 -5.272 1.00 3.03 H new ATOM 0 HA ILE A 13 -0.573 -3.989 -6.383 1.00 40.33 H new ATOM 0 HB ILE A 13 1.618 -5.528 -5.008 1.00 12.33 H new ATOM 0 HG12 ILE A 13 1.341 -4.673 -7.531 1.00 71.13 H new ATOM 0 HG13 ILE A 13 2.203 -6.141 -7.114 1.00 71.13 H new ATOM 0 HG21 ILE A 13 0.430 -7.648 -5.412 1.00 41.13 H new ATOM 0 HG22 ILE A 13 -0.423 -6.632 -4.225 1.00 41.13 H new ATOM 0 HG23 ILE A 13 -1.020 -6.739 -5.898 1.00 41.13 H new ATOM 0 HD11 ILE A 13 0.682 -6.521 -8.992 1.00 60.22 H new ATOM 0 HD12 ILE A 13 0.179 -7.477 -7.578 1.00 60.22 H new ATOM 0 HD13 ILE A 13 -0.696 -5.986 -8.001 1.00 60.22 H new ATOM 228 N GLN A 14 -0.540 -4.199 -3.096 1.00 55.42 N ATOM 229 CA GLN A 14 -1.386 -4.327 -1.915 1.00 53.12 C ATOM 230 C GLN A 14 -1.743 -2.956 -1.349 1.00 72.11 C ATOM 231 O GLN A 14 -2.830 -2.762 -0.802 1.00 63.43 O ATOM 232 CB GLN A 14 -0.682 -5.165 -0.846 1.00 70.30 C ATOM 233 CG GLN A 14 -0.105 -6.467 -1.377 1.00 41.12 C ATOM 234 CD GLN A 14 1.339 -6.329 -1.817 1.00 3.11 C ATOM 235 OE1 GLN A 14 1.717 -6.777 -2.899 1.00 61.30 O ATOM 236 NE2 GLN A 14 2.157 -5.705 -0.976 1.00 61.40 N ATOM 0 H GLN A 14 0.431 -3.959 -2.896 1.00 55.42 H new ATOM 0 HA GLN A 14 -2.307 -4.828 -2.212 1.00 53.12 H new ATOM 0 HB2 GLN A 14 0.121 -4.575 -0.404 1.00 70.30 H new ATOM 0 HB3 GLN A 14 -1.389 -5.389 -0.048 1.00 70.30 H new ATOM 0 HG2 GLN A 14 -0.174 -7.232 -0.604 1.00 41.12 H new ATOM 0 HG3 GLN A 14 -0.706 -6.810 -2.219 1.00 41.12 H new ATOM 0 HE21 GLN A 14 1.802 -5.349 -0.089 1.00 61.40 H new ATOM 0 HE22 GLN A 14 3.140 -5.582 -1.218 1.00 61.40 H new ATOM 245 N HIS A 15 -0.822 -2.008 -1.483 1.00 23.03 N ATOM 246 CA HIS A 15 -1.040 -0.654 -0.984 1.00 62.41 C ATOM 247 C HIS A 15 -1.675 0.224 -2.058 1.00 33.12 C ATOM 248 O HIS A 15 -1.990 1.389 -1.814 1.00 41.24 O ATOM 249 CB HIS A 15 0.281 -0.039 -0.523 1.00 3.11 C ATOM 250 CG HIS A 15 0.767 -0.578 0.788 1.00 53.21 C ATOM 251 ND1 HIS A 15 -0.003 -0.582 1.932 1.00 21.12 N ATOM 252 CD2 HIS A 15 1.952 -1.134 1.132 1.00 13.21 C ATOM 253 CE1 HIS A 15 0.687 -1.116 2.923 1.00 23.41 C ATOM 254 NE2 HIS A 15 1.877 -1.460 2.464 1.00 2.51 N ATOM 0 H HIS A 15 0.082 -2.151 -1.933 1.00 23.03 H new ATOM 0 HA HIS A 15 -1.721 -0.711 -0.135 1.00 62.41 H new ATOM 0 HB2 HIS A 15 1.041 -0.217 -1.284 1.00 3.11 H new ATOM 0 HB3 HIS A 15 0.160 1.041 -0.440 1.00 3.11 H new ATOM 0 HD2 HIS A 15 2.799 -1.292 0.480 1.00 13.21 H new ATOM 0 HE1 HIS A 15 0.338 -1.249 3.936 1.00 23.41 H new ATOM 0 HE2 HIS A 15 2.620 -1.897 3.010 1.00 2.51 H new ATOM 263 N ILE A 16 -1.861 -0.343 -3.246 1.00 11.43 N ATOM 264 CA ILE A 16 -2.459 0.389 -4.356 1.00 23.55 C ATOM 265 C ILE A 16 -3.395 -0.505 -5.162 1.00 32.12 C ATOM 266 O ILE A 16 -3.112 -1.683 -5.380 1.00 4.32 O ATOM 267 CB ILE A 16 -1.383 0.965 -5.295 1.00 13.30 C ATOM 268 CG1 ILE A 16 -1.148 2.447 -4.988 1.00 34.51 C ATOM 269 CG2 ILE A 16 -1.792 0.778 -6.748 1.00 52.02 C ATOM 270 CD1 ILE A 16 0.109 3.002 -5.620 1.00 73.02 C ATOM 0 H ILE A 16 -1.606 -1.306 -3.464 1.00 11.43 H new ATOM 0 HA ILE A 16 -3.029 1.211 -3.922 1.00 23.55 H new ATOM 0 HB ILE A 16 -0.450 0.426 -5.129 1.00 13.30 H new ATOM 0 HG12 ILE A 16 -2.005 3.023 -5.337 1.00 34.51 H new ATOM 0 HG13 ILE A 16 -1.092 2.582 -3.908 1.00 34.51 H new ATOM 0 HG21 ILE A 16 -1.021 1.190 -7.399 1.00 52.02 H new ATOM 0 HG22 ILE A 16 -1.914 -0.285 -6.958 1.00 52.02 H new ATOM 0 HG23 ILE A 16 -2.735 1.294 -6.930 1.00 52.02 H new ATOM 0 HD11 ILE A 16 0.212 4.056 -5.361 1.00 73.02 H new ATOM 0 HD12 ILE A 16 0.975 2.452 -5.252 1.00 73.02 H new ATOM 0 HD13 ILE A 16 0.047 2.899 -6.703 1.00 73.02 H new ATOM 282 N SER A 17 -4.513 0.064 -5.604 1.00 43.22 N ATOM 283 CA SER A 17 -5.493 -0.681 -6.385 1.00 64.13 C ATOM 284 C SER A 17 -6.558 0.252 -6.952 1.00 34.24 C ATOM 285 O SER A 17 -7.427 0.735 -6.225 1.00 20.51 O ATOM 286 CB SER A 17 -6.149 -1.761 -5.523 1.00 4.21 C ATOM 287 OG SER A 17 -5.334 -2.917 -5.444 1.00 61.33 O ATOM 0 H SER A 17 -4.762 1.038 -5.434 1.00 43.22 H new ATOM 0 HA SER A 17 -4.973 -1.157 -7.216 1.00 64.13 H new ATOM 0 HB2 SER A 17 -6.330 -1.371 -4.521 1.00 4.21 H new ATOM 0 HB3 SER A 17 -7.120 -2.025 -5.942 1.00 4.21 H new ATOM 0 HG SER A 17 -4.403 -2.675 -5.633 1.00 61.33 H new ATOM 293 N LEU A 18 -6.486 0.501 -8.254 1.00 64.13 N ATOM 294 CA LEU A 18 -7.444 1.376 -8.921 1.00 62.15 C ATOM 295 C LEU A 18 -8.859 0.820 -8.807 1.00 50.13 C ATOM 296 O LEU A 18 -9.767 1.498 -8.327 1.00 45.15 O ATOM 297 CB LEU A 18 -7.067 1.549 -10.393 1.00 71.41 C ATOM 298 CG LEU A 18 -5.576 1.458 -10.721 1.00 35.04 C ATOM 299 CD1 LEU A 18 -5.320 1.882 -12.159 1.00 3.51 C ATOM 300 CD2 LEU A 18 -4.766 2.312 -9.757 1.00 74.25 C ATOM 0 H LEU A 18 -5.774 0.109 -8.870 1.00 64.13 H new ATOM 0 HA LEU A 18 -7.416 2.348 -8.429 1.00 62.15 H new ATOM 0 HB2 LEU A 18 -7.593 0.791 -10.973 1.00 71.41 H new ATOM 0 HB3 LEU A 18 -7.434 2.519 -10.729 1.00 71.41 H new ATOM 0 HG LEU A 18 -5.260 0.421 -10.609 1.00 35.04 H new ATOM 0 HD11 LEU A 18 -4.254 1.811 -12.375 1.00 3.51 H new ATOM 0 HD12 LEU A 18 -5.871 1.228 -12.835 1.00 3.51 H new ATOM 0 HD13 LEU A 18 -5.651 2.911 -12.299 1.00 3.51 H new ATOM 0 HD21 LEU A 18 -3.707 2.236 -10.005 1.00 74.25 H new ATOM 0 HD22 LEU A 18 -5.083 3.352 -9.837 1.00 74.25 H new ATOM 0 HD23 LEU A 18 -4.926 1.961 -8.737 1.00 74.25 H new ATOM 312 N ASN A 19 -9.040 -0.420 -9.251 1.00 42.34 N ATOM 313 CA ASN A 19 -10.345 -1.069 -9.199 1.00 2.40 C ATOM 314 C ASN A 19 -10.222 -2.498 -8.680 1.00 23.21 C ATOM 315 O ASN A 19 -10.489 -3.467 -9.391 1.00 0.24 O ATOM 316 CB ASN A 19 -10.994 -1.071 -10.585 1.00 42.50 C ATOM 317 CG ASN A 19 -10.019 -1.464 -11.678 1.00 33.24 C ATOM 318 OD1 ASN A 19 -9.884 -2.642 -12.009 1.00 74.15 O ATOM 319 ND2 ASN A 19 -9.334 -0.477 -12.244 1.00 3.32 N ATOM 0 H ASN A 19 -8.299 -0.995 -9.651 1.00 42.34 H new ATOM 0 HA ASN A 19 -10.976 -0.505 -8.512 1.00 2.40 H new ATOM 0 HB2 ASN A 19 -11.837 -1.762 -10.588 1.00 42.50 H new ATOM 0 HB3 ASN A 19 -11.394 -0.080 -10.798 1.00 42.50 H new ATOM 0 HD21 ASN A 19 -8.664 -0.681 -12.985 1.00 3.32 H new ATOM 0 HD22 ASN A 19 -9.478 0.485 -11.938 1.00 3.32 H new ATOM 326 N PRO A 20 -9.808 -2.634 -7.412 1.00 23.12 N ATOM 327 CA PRO A 20 -9.640 -3.941 -6.769 1.00 53.44 C ATOM 328 C PRO A 20 -10.973 -4.635 -6.512 1.00 52.23 C ATOM 329 O PRO A 20 -11.988 -3.998 -6.228 1.00 12.43 O ATOM 330 CB PRO A 20 -8.950 -3.600 -5.446 1.00 71.21 C ATOM 331 CG PRO A 20 -9.344 -2.191 -5.166 1.00 45.13 C ATOM 332 CD PRO A 20 -9.471 -1.522 -6.507 1.00 14.42 C ATOM 0 HA PRO A 20 -9.075 -4.633 -7.393 1.00 53.44 H new ATOM 0 HB2 PRO A 20 -9.273 -4.268 -4.647 1.00 71.21 H new ATOM 0 HB3 PRO A 20 -7.868 -3.700 -5.527 1.00 71.21 H new ATOM 0 HG2 PRO A 20 -10.286 -2.151 -4.619 1.00 45.13 H new ATOM 0 HG3 PRO A 20 -8.596 -1.692 -4.550 1.00 45.13 H new ATOM 0 HD2 PRO A 20 -10.248 -0.758 -6.503 1.00 14.42 H new ATOM 0 HD3 PRO A 20 -8.543 -1.032 -6.801 1.00 14.42 H new ATOM 340 N PRO A 21 -10.973 -5.972 -6.612 1.00 33.24 N ATOM 341 CA PRO A 21 -12.176 -6.782 -6.392 1.00 31.44 C ATOM 342 C PRO A 21 -12.608 -6.793 -4.929 1.00 73.45 C ATOM 343 O PRO A 21 -12.219 -5.922 -4.152 1.00 21.15 O ATOM 344 CB PRO A 21 -11.746 -8.183 -6.833 1.00 64.40 C ATOM 345 CG PRO A 21 -10.266 -8.198 -6.657 1.00 54.24 C ATOM 346 CD PRO A 21 -9.801 -6.797 -6.947 1.00 21.24 C ATOM 0 HA PRO A 21 -13.035 -6.393 -6.939 1.00 31.44 H new ATOM 0 HB2 PRO A 21 -12.224 -8.953 -6.228 1.00 64.40 H new ATOM 0 HB3 PRO A 21 -12.023 -8.374 -7.870 1.00 64.40 H new ATOM 0 HG2 PRO A 21 -9.996 -8.497 -5.644 1.00 54.24 H new ATOM 0 HG3 PRO A 21 -9.799 -8.912 -7.335 1.00 54.24 H new ATOM 0 HD2 PRO A 21 -8.935 -6.528 -6.343 1.00 21.24 H new ATOM 0 HD3 PRO A 21 -9.511 -6.678 -7.991 1.00 21.24 H new ATOM 354 N ARG A 22 -13.414 -7.785 -4.563 1.00 1.51 N ATOM 355 CA ARG A 22 -13.898 -7.908 -3.193 1.00 75.22 C ATOM 356 C ARG A 22 -12.742 -8.132 -2.225 1.00 25.54 C ATOM 357 O ARG A 22 -11.806 -8.878 -2.521 1.00 12.32 O ATOM 358 CB ARG A 22 -14.899 -9.061 -3.086 1.00 70.23 C ATOM 359 CG ARG A 22 -16.221 -8.787 -3.785 1.00 43.30 C ATOM 360 CD ARG A 22 -17.056 -7.773 -3.018 1.00 63.52 C ATOM 361 NE ARG A 22 -18.467 -7.832 -3.393 1.00 1.31 N ATOM 362 CZ ARG A 22 -19.337 -8.679 -2.854 1.00 45.03 C ATOM 363 NH1 ARG A 22 -18.941 -9.535 -1.921 1.00 71.44 N ATOM 364 NH2 ARG A 22 -20.604 -8.671 -3.248 1.00 24.33 N ATOM 0 H ARG A 22 -13.745 -8.514 -5.195 1.00 1.51 H new ATOM 0 HA ARG A 22 -14.396 -6.976 -2.925 1.00 75.22 H new ATOM 0 HB2 ARG A 22 -14.452 -9.960 -3.512 1.00 70.23 H new ATOM 0 HB3 ARG A 22 -15.091 -9.268 -2.033 1.00 70.23 H new ATOM 0 HG2 ARG A 22 -16.031 -8.417 -4.792 1.00 43.30 H new ATOM 0 HG3 ARG A 22 -16.780 -9.717 -3.887 1.00 43.30 H new ATOM 0 HD2 ARG A 22 -16.957 -7.957 -1.948 1.00 63.52 H new ATOM 0 HD3 ARG A 22 -16.672 -6.770 -3.206 1.00 63.52 H new ATOM 0 HE ARG A 22 -18.803 -7.187 -4.108 1.00 1.31 H new ATOM 0 HH11 ARG A 22 -17.967 -9.543 -1.617 1.00 71.44 H new ATOM 0 HH12 ARG A 22 -19.610 -10.185 -1.508 1.00 71.44 H new ATOM 0 HH21 ARG A 22 -20.911 -8.014 -3.965 1.00 24.33 H new ATOM 0 HH22 ARG A 22 -21.271 -9.322 -2.833 1.00 24.33 H new ATOM 378 N CYS A 23 -12.812 -7.483 -1.067 1.00 64.33 N ATOM 379 CA CYS A 23 -11.770 -7.611 -0.055 1.00 52.15 C ATOM 380 C CYS A 23 -11.320 -9.062 0.084 1.00 65.34 C ATOM 381 O CYS A 23 -10.197 -9.339 0.506 1.00 71.44 O ATOM 382 CB CYS A 23 -12.273 -7.091 1.293 1.00 75.20 C ATOM 383 SG CYS A 23 -11.981 -5.313 1.561 1.00 71.44 S ATOM 0 H CYS A 23 -13.579 -6.863 -0.806 1.00 64.33 H new ATOM 0 HA CYS A 23 -10.916 -7.013 -0.373 1.00 52.15 H new ATOM 0 HB2 CYS A 23 -13.342 -7.288 1.370 1.00 75.20 H new ATOM 0 HB3 CYS A 23 -11.787 -7.652 2.091 1.00 75.20 H new ATOM 388 N THR A 24 -12.205 -9.988 -0.276 1.00 53.05 N ATOM 389 CA THR A 24 -11.900 -11.410 -0.192 1.00 62.21 C ATOM 390 C THR A 24 -11.037 -11.858 -1.366 1.00 23.14 C ATOM 391 O THR A 24 -10.051 -12.573 -1.186 1.00 5.54 O ATOM 392 CB THR A 24 -13.186 -12.259 -0.162 1.00 2.35 C ATOM 393 OG1 THR A 24 -13.739 -12.264 1.159 1.00 42.24 O ATOM 394 CG2 THR A 24 -12.902 -13.686 -0.603 1.00 25.01 C ATOM 0 H THR A 24 -13.139 -9.777 -0.628 1.00 53.05 H new ATOM 0 HA THR A 24 -11.351 -11.561 0.737 1.00 62.21 H new ATOM 0 HB THR A 24 -13.903 -11.817 -0.854 1.00 2.35 H new ATOM 0 HG1 THR A 24 -14.557 -12.804 1.169 1.00 42.24 H new ATOM 0 HG21 THR A 24 -13.824 -14.266 -0.574 1.00 25.01 H new ATOM 0 HG22 THR A 24 -12.508 -13.681 -1.619 1.00 25.01 H new ATOM 0 HG23 THR A 24 -12.169 -14.135 0.068 1.00 25.01 H new ATOM 402 N ILE A 25 -11.413 -11.434 -2.567 1.00 73.42 N ATOM 403 CA ILE A 25 -10.671 -11.791 -3.770 1.00 51.33 C ATOM 404 C ILE A 25 -9.395 -10.964 -3.894 1.00 34.52 C ATOM 405 O ILE A 25 -8.313 -11.504 -4.119 1.00 22.34 O ATOM 406 CB ILE A 25 -11.523 -11.592 -5.037 1.00 12.32 C ATOM 407 CG1 ILE A 25 -12.951 -12.089 -4.801 1.00 75.01 C ATOM 408 CG2 ILE A 25 -10.894 -12.315 -6.218 1.00 63.04 C ATOM 409 CD1 ILE A 25 -13.865 -11.889 -5.990 1.00 64.13 C ATOM 0 H ILE A 25 -12.227 -10.843 -2.734 1.00 73.42 H new ATOM 0 HA ILE A 25 -10.411 -12.846 -3.679 1.00 51.33 H new ATOM 0 HB ILE A 25 -11.562 -10.527 -5.267 1.00 12.32 H new ATOM 0 HG12 ILE A 25 -12.921 -13.149 -4.550 1.00 75.01 H new ATOM 0 HG13 ILE A 25 -13.370 -11.569 -3.939 1.00 75.01 H new ATOM 0 HG21 ILE A 25 -11.508 -12.165 -7.106 1.00 63.04 H new ATOM 0 HG22 ILE A 25 -9.894 -11.919 -6.397 1.00 63.04 H new ATOM 0 HG23 ILE A 25 -10.828 -13.381 -5.999 1.00 63.04 H new ATOM 0 HD11 ILE A 25 -14.860 -12.264 -5.751 1.00 64.13 H new ATOM 0 HD12 ILE A 25 -13.925 -10.827 -6.228 1.00 64.13 H new ATOM 0 HD13 ILE A 25 -13.469 -12.432 -6.849 1.00 64.13 H new ATOM 421 N ALA A 26 -9.531 -9.651 -3.744 1.00 12.12 N ATOM 422 CA ALA A 26 -8.389 -8.750 -3.835 1.00 1.42 C ATOM 423 C ALA A 26 -7.206 -9.279 -3.030 1.00 55.41 C ATOM 424 O ALA A 26 -6.055 -9.150 -3.443 1.00 62.22 O ATOM 425 CB ALA A 26 -8.776 -7.358 -3.357 1.00 43.13 C ATOM 0 H ALA A 26 -10.421 -9.187 -3.559 1.00 12.12 H new ATOM 0 HA ALA A 26 -8.086 -8.692 -4.880 1.00 1.42 H new ATOM 0 HB1 ALA A 26 -7.914 -6.695 -3.430 1.00 43.13 H new ATOM 0 HB2 ALA A 26 -9.584 -6.972 -3.978 1.00 43.13 H new ATOM 0 HB3 ALA A 26 -9.108 -7.409 -2.320 1.00 43.13 H new ATOM 431 N MET A 27 -7.500 -9.872 -1.877 1.00 0.01 N ATOM 432 CA MET A 27 -6.460 -10.420 -1.014 1.00 64.43 C ATOM 433 C MET A 27 -6.058 -11.820 -1.470 1.00 12.33 C ATOM 434 O MET A 27 -5.518 -12.605 -0.691 1.00 11.22 O ATOM 435 CB MET A 27 -6.941 -10.463 0.438 1.00 72.44 C ATOM 436 CG MET A 27 -8.218 -11.266 0.631 1.00 44.41 C ATOM 437 SD MET A 27 -7.934 -13.045 0.575 1.00 0.01 S ATOM 438 CE MET A 27 -6.836 -13.257 1.975 1.00 40.23 C ATOM 0 H MET A 27 -8.449 -9.985 -1.519 1.00 0.01 H new ATOM 0 HA MET A 27 -5.588 -9.770 -1.081 1.00 64.43 H new ATOM 0 HB2 MET A 27 -6.155 -10.891 1.060 1.00 72.44 H new ATOM 0 HB3 MET A 27 -7.106 -9.444 0.788 1.00 72.44 H new ATOM 0 HG2 MET A 27 -8.666 -11.003 1.589 1.00 44.41 H new ATOM 0 HG3 MET A 27 -8.935 -10.992 -0.142 1.00 44.41 H new ATOM 0 HE1 MET A 27 -7.101 -14.169 2.510 1.00 40.23 H new ATOM 0 HE2 MET A 27 -5.807 -13.329 1.623 1.00 40.23 H new ATOM 0 HE3 MET A 27 -6.931 -12.402 2.645 1.00 40.23 H new ATOM 448 N ARG A 28 -6.324 -12.125 -2.736 1.00 41.41 N ATOM 449 CA ARG A 28 -5.991 -13.429 -3.294 1.00 25.23 C ATOM 450 C ARG A 28 -4.525 -13.483 -3.713 1.00 62.15 C ATOM 451 O ARG A 28 -3.688 -14.050 -3.013 1.00 25.44 O ATOM 452 CB ARG A 28 -6.887 -13.739 -4.494 1.00 54.42 C ATOM 453 CG ARG A 28 -8.297 -14.159 -4.109 1.00 5.11 C ATOM 454 CD ARG A 28 -8.402 -15.666 -3.939 1.00 1.15 C ATOM 455 NE ARG A 28 -9.735 -16.163 -4.268 1.00 13.43 N ATOM 456 CZ ARG A 28 -10.746 -16.182 -3.406 1.00 4.03 C ATOM 457 NH1 ARG A 28 -10.575 -15.735 -2.169 1.00 44.21 N ATOM 458 NH2 ARG A 28 -11.930 -16.649 -3.780 1.00 21.14 N ATOM 0 H ARG A 28 -6.769 -11.486 -3.394 1.00 41.41 H new ATOM 0 HA ARG A 28 -6.158 -14.179 -2.521 1.00 25.23 H new ATOM 0 HB2 ARG A 28 -6.941 -12.858 -5.133 1.00 54.42 H new ATOM 0 HB3 ARG A 28 -6.429 -14.533 -5.084 1.00 54.42 H new ATOM 0 HG2 ARG A 28 -8.584 -13.666 -3.180 1.00 5.11 H new ATOM 0 HG3 ARG A 28 -8.998 -13.828 -4.875 1.00 5.11 H new ATOM 0 HD2 ARG A 28 -7.665 -16.155 -4.577 1.00 1.15 H new ATOM 0 HD3 ARG A 28 -8.160 -15.932 -2.910 1.00 1.15 H new ATOM 0 HE ARG A 28 -9.899 -16.515 -5.211 1.00 13.43 H new ATOM 0 HH11 ARG A 28 -9.666 -15.376 -1.878 1.00 44.21 H new ATOM 0 HH12 ARG A 28 -11.353 -15.751 -1.509 1.00 44.21 H new ATOM 0 HH21 ARG A 28 -12.065 -16.994 -4.730 1.00 21.14 H new ATOM 0 HH22 ARG A 28 -12.705 -16.663 -3.117 1.00 21.14 H new ATOM 472 N ALA A 29 -4.222 -12.887 -4.863 1.00 24.34 N ATOM 473 CA ALA A 29 -2.857 -12.867 -5.376 1.00 51.21 C ATOM 474 C ALA A 29 -1.930 -12.106 -4.435 1.00 4.24 C ATOM 475 O ALA A 29 -0.735 -12.395 -4.358 1.00 45.41 O ATOM 476 CB ALA A 29 -2.825 -12.249 -6.766 1.00 55.43 C ATOM 0 H ALA A 29 -4.903 -12.412 -5.456 1.00 24.34 H new ATOM 0 HA ALA A 29 -2.503 -13.896 -5.440 1.00 51.21 H new ATOM 0 HB1 ALA A 29 -1.800 -12.240 -7.137 1.00 55.43 H new ATOM 0 HB2 ALA A 29 -3.450 -12.836 -7.440 1.00 55.43 H new ATOM 0 HB3 ALA A 29 -3.202 -11.227 -6.719 1.00 55.43 H new ATOM 482 N ILE A 30 -2.486 -11.133 -3.722 1.00 52.44 N ATOM 483 CA ILE A 30 -1.707 -10.330 -2.786 1.00 23.43 C ATOM 484 C ILE A 30 -1.155 -11.190 -1.654 1.00 12.24 C ATOM 485 O ILE A 30 0.044 -11.457 -1.591 1.00 32.12 O ATOM 486 CB ILE A 30 -2.549 -9.190 -2.186 1.00 51.33 C ATOM 487 CG1 ILE A 30 -2.607 -8.006 -3.154 1.00 74.31 C ATOM 488 CG2 ILE A 30 -1.975 -8.756 -0.846 1.00 40.43 C ATOM 489 CD1 ILE A 30 -3.614 -8.186 -4.269 1.00 74.11 C ATOM 0 H ILE A 30 -3.473 -10.881 -3.774 1.00 52.44 H new ATOM 0 HA ILE A 30 -0.879 -9.900 -3.350 1.00 23.43 H new ATOM 0 HB ILE A 30 -3.564 -9.554 -2.024 1.00 51.33 H new ATOM 0 HG12 ILE A 30 -2.853 -7.102 -2.596 1.00 74.31 H new ATOM 0 HG13 ILE A 30 -1.619 -7.854 -3.589 1.00 74.31 H new ATOM 0 HG21 ILE A 30 -2.581 -7.949 -0.435 1.00 40.43 H new ATOM 0 HG22 ILE A 30 -1.980 -9.601 -0.157 1.00 40.43 H new ATOM 0 HG23 ILE A 30 -0.952 -8.406 -0.984 1.00 40.43 H new ATOM 0 HD11 ILE A 30 -3.601 -7.309 -4.916 1.00 74.11 H new ATOM 0 HD12 ILE A 30 -3.358 -9.071 -4.852 1.00 74.11 H new ATOM 0 HD13 ILE A 30 -4.610 -8.308 -3.843 1.00 74.11 H new ATOM 501 N ASN A 31 -2.040 -11.621 -0.760 1.00 24.11 N ATOM 502 CA ASN A 31 -1.641 -12.451 0.371 1.00 72.40 C ATOM 503 C ASN A 31 -0.755 -13.606 -0.088 1.00 32.31 C ATOM 504 O ASN A 31 -0.036 -14.204 0.710 1.00 1.21 O ATOM 505 CB ASN A 31 -2.877 -12.996 1.090 1.00 3.02 C ATOM 506 CG ASN A 31 -3.311 -12.112 2.243 1.00 3.04 C ATOM 507 OD1 ASN A 31 -2.984 -12.376 3.400 1.00 5.42 O ATOM 508 ND2 ASN A 31 -4.052 -11.055 1.931 1.00 1.23 N ATOM 0 H ASN A 31 -3.037 -11.409 -0.797 1.00 24.11 H new ATOM 0 HA ASN A 31 -1.070 -11.831 1.062 1.00 72.40 H new ATOM 0 HB2 ASN A 31 -3.697 -13.089 0.378 1.00 3.02 H new ATOM 0 HB3 ASN A 31 -2.665 -13.998 1.464 1.00 3.02 H new ATOM 0 HD21 ASN A 31 -4.374 -10.423 2.664 1.00 1.23 H new ATOM 0 HD22 ASN A 31 -4.299 -10.875 0.958 1.00 1.23 H new ATOM 515 N ASN A 32 -0.815 -13.913 -1.380 1.00 11.12 N ATOM 516 CA ASN A 32 -0.018 -14.996 -1.945 1.00 54.04 C ATOM 517 C ASN A 32 1.453 -14.840 -1.574 1.00 21.21 C ATOM 518 O ASN A 32 2.237 -15.784 -1.687 1.00 14.21 O ATOM 519 CB ASN A 32 -0.172 -15.028 -3.467 1.00 21.55 C ATOM 520 CG ASN A 32 0.150 -16.391 -4.052 1.00 3.54 C ATOM 521 OD1 ASN A 32 1.193 -16.578 -4.679 1.00 62.44 O ATOM 522 ND2 ASN A 32 -0.745 -17.349 -3.846 1.00 62.02 N ATOM 0 H ASN A 32 -1.406 -13.428 -2.055 1.00 11.12 H new ATOM 0 HA ASN A 32 -0.380 -15.936 -1.530 1.00 54.04 H new ATOM 0 HB2 ASN A 32 -1.193 -14.754 -3.732 1.00 21.55 H new ATOM 0 HB3 ASN A 32 0.485 -14.280 -3.912 1.00 21.55 H new ATOM 0 HD21 ASN A 32 -0.582 -18.287 -4.213 1.00 62.02 H new ATOM 0 HD22 ASN A 32 -1.596 -17.148 -3.320 1.00 62.02 H new ATOM 529 N TYR A 33 1.823 -13.642 -1.133 1.00 33.55 N ATOM 530 CA TYR A 33 3.200 -13.362 -0.747 1.00 13.42 C ATOM 531 C TYR A 33 3.613 -14.207 0.455 1.00 51.11 C ATOM 532 O TYR A 33 4.799 -14.339 0.757 1.00 22.14 O ATOM 533 CB TYR A 33 3.368 -11.876 -0.421 1.00 65.25 C ATOM 534 CG TYR A 33 2.407 -11.375 0.631 1.00 1.51 C ATOM 535 CD1 TYR A 33 2.446 -11.870 1.928 1.00 15.13 C ATOM 536 CD2 TYR A 33 1.460 -10.403 0.329 1.00 43.22 C ATOM 537 CE1 TYR A 33 1.568 -11.414 2.894 1.00 60.54 C ATOM 538 CE2 TYR A 33 0.580 -9.940 1.289 1.00 63.54 C ATOM 539 CZ TYR A 33 0.637 -10.450 2.569 1.00 23.20 C ATOM 540 OH TYR A 33 -0.237 -9.992 3.528 1.00 64.45 O ATOM 0 H TYR A 33 1.188 -12.850 -1.034 1.00 33.55 H new ATOM 0 HA TYR A 33 3.845 -13.619 -1.587 1.00 13.42 H new ATOM 0 HB2 TYR A 33 4.389 -11.700 -0.082 1.00 65.25 H new ATOM 0 HB3 TYR A 33 3.231 -11.295 -1.333 1.00 65.25 H new ATOM 0 HD1 TYR A 33 3.175 -12.624 2.187 1.00 15.13 H new ATOM 0 HD2 TYR A 33 1.411 -10.003 -0.673 1.00 43.22 H new ATOM 0 HE1 TYR A 33 1.611 -11.811 3.898 1.00 60.54 H new ATOM 0 HE2 TYR A 33 -0.148 -9.183 1.038 1.00 63.54 H new ATOM 0 HH TYR A 33 -0.827 -9.314 3.136 1.00 64.45 H new ATOM 550 N ARG A 34 2.624 -14.775 1.137 1.00 24.33 N ATOM 551 CA ARG A 34 2.883 -15.607 2.307 1.00 74.22 C ATOM 552 C ARG A 34 1.764 -16.626 2.507 1.00 61.30 C ATOM 553 O ARG A 34 0.820 -16.689 1.719 1.00 5.21 O ATOM 554 CB ARG A 34 3.024 -14.737 3.556 1.00 64.20 C ATOM 555 CG ARG A 34 4.433 -14.208 3.773 1.00 54.33 C ATOM 556 CD ARG A 34 4.509 -13.317 5.003 1.00 43.43 C ATOM 557 NE ARG A 34 3.779 -12.065 4.819 1.00 21.24 N ATOM 558 CZ ARG A 34 4.224 -11.056 4.080 1.00 45.03 C ATOM 559 NH1 ARG A 34 5.392 -11.150 3.458 1.00 60.32 N ATOM 560 NH2 ARG A 34 3.502 -9.950 3.961 1.00 41.33 N ATOM 0 H ARG A 34 1.637 -14.675 0.900 1.00 24.33 H new ATOM 0 HA ARG A 34 3.816 -16.145 2.140 1.00 74.22 H new ATOM 0 HB2 ARG A 34 2.336 -13.895 3.482 1.00 64.20 H new ATOM 0 HB3 ARG A 34 2.724 -15.317 4.429 1.00 64.20 H new ATOM 0 HG2 ARG A 34 5.124 -15.044 3.884 1.00 54.33 H new ATOM 0 HG3 ARG A 34 4.751 -13.646 2.895 1.00 54.33 H new ATOM 0 HD2 ARG A 34 4.103 -13.850 5.862 1.00 43.43 H new ATOM 0 HD3 ARG A 34 5.553 -13.098 5.228 1.00 43.43 H new ATOM 0 HE ARG A 34 2.877 -11.960 5.284 1.00 21.24 H new ATOM 0 HH11 ARG A 34 5.950 -11.999 3.547 1.00 60.32 H new ATOM 0 HH12 ARG A 34 5.732 -10.373 2.891 1.00 60.32 H new ATOM 0 HH21 ARG A 34 2.603 -9.874 4.438 1.00 41.33 H new ATOM 0 HH22 ARG A 34 3.845 -9.176 3.393 1.00 41.33 H new ATOM 574 N TRP A 35 1.878 -17.421 3.565 1.00 53.52 N ATOM 575 CA TRP A 35 0.876 -18.436 3.869 1.00 72.32 C ATOM 576 C TRP A 35 0.037 -18.030 5.075 1.00 75.11 C ATOM 577 O TRP A 35 -0.622 -18.866 5.694 1.00 54.13 O ATOM 578 CB TRP A 35 1.550 -19.784 4.132 1.00 43.41 C ATOM 579 CG TRP A 35 1.830 -20.562 2.882 1.00 35.25 C ATOM 580 CD1 TRP A 35 3.019 -20.644 2.216 1.00 43.05 C ATOM 581 CD2 TRP A 35 0.901 -21.368 2.149 1.00 30.51 C ATOM 582 NE1 TRP A 35 2.885 -21.451 1.112 1.00 41.21 N ATOM 583 CE2 TRP A 35 1.596 -21.909 1.049 1.00 13.44 C ATOM 584 CE3 TRP A 35 -0.449 -21.688 2.315 1.00 11.40 C ATOM 585 CZ2 TRP A 35 0.984 -22.748 0.122 1.00 24.34 C ATOM 586 CZ3 TRP A 35 -1.055 -22.521 1.394 1.00 13.54 C ATOM 587 CH2 TRP A 35 -0.339 -23.044 0.310 1.00 61.02 C ATOM 0 H TRP A 35 2.654 -17.382 4.226 1.00 53.52 H new ATOM 0 HA TRP A 35 0.216 -18.529 3.006 1.00 72.32 H new ATOM 0 HB2 TRP A 35 2.486 -19.616 4.664 1.00 43.41 H new ATOM 0 HB3 TRP A 35 0.913 -20.379 4.787 1.00 43.41 H new ATOM 0 HD1 TRP A 35 3.931 -20.148 2.513 1.00 43.05 H new ATOM 0 HE1 TRP A 35 3.626 -21.673 0.447 1.00 41.21 H new ATOM 0 HE3 TRP A 35 -1.009 -21.291 3.149 1.00 11.40 H new ATOM 0 HZ2 TRP A 35 1.534 -23.151 -0.716 1.00 24.34 H new ATOM 0 HZ3 TRP A 35 -2.099 -22.773 1.512 1.00 13.54 H new ATOM 0 HH2 TRP A 35 -0.841 -23.694 -0.392 1.00 61.02 H new ATOM 598 N ARG A 36 0.065 -16.742 5.402 1.00 35.22 N ATOM 599 CA ARG A 36 -0.695 -16.226 6.536 1.00 63.35 C ATOM 600 C ARG A 36 -1.415 -14.934 6.163 1.00 11.32 C ATOM 601 O ARG A 36 -0.967 -14.190 5.291 1.00 54.41 O ATOM 602 CB ARG A 36 0.233 -15.981 7.728 1.00 14.11 C ATOM 603 CG ARG A 36 -0.467 -16.080 9.073 1.00 23.12 C ATOM 604 CD ARG A 36 -1.021 -14.735 9.515 1.00 42.33 C ATOM 605 NE ARG A 36 -1.175 -14.655 10.965 1.00 32.32 N ATOM 606 CZ ARG A 36 -1.182 -13.512 11.642 1.00 70.01 C ATOM 607 NH1 ARG A 36 -1.044 -12.359 11.004 1.00 61.13 N ATOM 608 NH2 ARG A 36 -1.327 -13.522 12.960 1.00 12.25 N ATOM 0 H ARG A 36 0.604 -16.037 4.899 1.00 35.22 H new ATOM 0 HA ARG A 36 -1.441 -16.971 6.813 1.00 63.35 H new ATOM 0 HB2 ARG A 36 1.048 -16.704 7.698 1.00 14.11 H new ATOM 0 HB3 ARG A 36 0.680 -14.992 7.632 1.00 14.11 H new ATOM 0 HG2 ARG A 36 -1.278 -16.805 9.009 1.00 23.12 H new ATOM 0 HG3 ARG A 36 0.233 -16.450 9.822 1.00 23.12 H new ATOM 0 HD2 ARG A 36 -0.356 -13.940 9.177 1.00 42.33 H new ATOM 0 HD3 ARG A 36 -1.987 -14.567 9.038 1.00 42.33 H new ATOM 0 HE ARG A 36 -1.283 -15.525 11.487 1.00 32.32 H new ATOM 0 HH11 ARG A 36 -0.932 -12.347 9.990 1.00 61.13 H new ATOM 0 HH12 ARG A 36 -1.050 -11.483 11.527 1.00 61.13 H new ATOM 0 HH21 ARG A 36 -1.433 -14.408 13.455 1.00 12.25 H new ATOM 0 HH22 ARG A 36 -1.332 -12.644 13.479 1.00 12.25 H new ATOM 622 N CYS A 37 -2.534 -14.674 6.831 1.00 74.02 N ATOM 623 CA CYS A 37 -3.319 -13.472 6.572 1.00 64.53 C ATOM 624 C CYS A 37 -2.803 -12.296 7.396 1.00 62.14 C ATOM 625 O CYS A 37 -2.242 -12.479 8.476 1.00 34.32 O ATOM 626 CB CYS A 37 -4.794 -13.723 6.889 1.00 31.32 C ATOM 627 SG CYS A 37 -5.951 -12.780 5.844 1.00 62.43 S ATOM 0 H CYS A 37 -2.918 -15.280 7.556 1.00 74.02 H new ATOM 0 HA CYS A 37 -3.218 -13.224 5.515 1.00 64.53 H new ATOM 0 HB2 CYS A 37 -5.003 -14.787 6.775 1.00 31.32 H new ATOM 0 HB3 CYS A 37 -4.978 -13.472 7.934 1.00 31.32 H new ATOM 632 N LYS A 38 -2.996 -11.089 6.877 1.00 11.52 N ATOM 633 CA LYS A 38 -2.552 -9.881 7.564 1.00 5.23 C ATOM 634 C LYS A 38 -3.687 -9.271 8.381 1.00 61.12 C ATOM 635 O LYS A 38 -4.860 -9.433 8.048 1.00 3.11 O ATOM 636 CB LYS A 38 -2.030 -8.857 6.553 1.00 62.32 C ATOM 637 CG LYS A 38 -0.816 -8.086 7.041 1.00 3.44 C ATOM 638 CD LYS A 38 -1.220 -6.857 7.839 1.00 53.31 C ATOM 639 CE LYS A 38 -0.197 -5.739 7.698 1.00 75.20 C ATOM 640 NZ LYS A 38 1.133 -6.134 8.236 1.00 63.54 N ATOM 0 H LYS A 38 -3.457 -10.920 5.983 1.00 11.52 H new ATOM 0 HA LYS A 38 -1.745 -10.156 8.244 1.00 5.23 H new ATOM 0 HB2 LYS A 38 -1.775 -9.371 5.626 1.00 62.32 H new ATOM 0 HB3 LYS A 38 -2.827 -8.152 6.318 1.00 62.32 H new ATOM 0 HG2 LYS A 38 -0.196 -8.735 7.660 1.00 3.44 H new ATOM 0 HG3 LYS A 38 -0.209 -7.784 6.188 1.00 3.44 H new ATOM 0 HD2 LYS A 38 -2.194 -6.505 7.499 1.00 53.31 H new ATOM 0 HD3 LYS A 38 -1.327 -7.124 8.891 1.00 53.31 H new ATOM 0 HE2 LYS A 38 -0.098 -5.468 6.647 1.00 75.20 H new ATOM 0 HE3 LYS A 38 -0.553 -4.853 8.223 1.00 75.20 H new ATOM 0 HZ1 LYS A 38 1.773 -5.315 8.215 1.00 63.54 H new ATOM 0 HZ2 LYS A 38 1.027 -6.465 9.216 1.00 63.54 H new ATOM 0 HZ3 LYS A 38 1.530 -6.899 7.653 1.00 63.54 H new ATOM 654 N ASN A 39 -3.328 -8.568 9.451 1.00 62.35 N ATOM 655 CA ASN A 39 -4.318 -7.933 10.314 1.00 42.53 C ATOM 656 C ASN A 39 -5.209 -6.988 9.515 1.00 33.44 C ATOM 657 O ASN A 39 -6.435 -7.031 9.628 1.00 23.34 O ATOM 658 CB ASN A 39 -3.623 -7.166 11.442 1.00 61.34 C ATOM 659 CG ASN A 39 -2.406 -7.897 11.974 1.00 72.12 C ATOM 660 OD1 ASN A 39 -1.297 -7.732 11.466 1.00 51.33 O ATOM 661 ND2 ASN A 39 -2.609 -8.712 13.003 1.00 42.15 N ATOM 0 H ASN A 39 -2.361 -8.424 9.741 1.00 62.35 H new ATOM 0 HA ASN A 39 -4.943 -8.715 10.746 1.00 42.53 H new ATOM 0 HB2 ASN A 39 -3.323 -6.183 11.078 1.00 61.34 H new ATOM 0 HB3 ASN A 39 -4.330 -7.003 12.256 1.00 61.34 H new ATOM 0 HD21 ASN A 39 -1.828 -9.232 13.404 1.00 42.15 H new ATOM 0 HD22 ASN A 39 -3.546 -8.818 13.392 1.00 42.15 H new ATOM 668 N GLN A 40 -4.587 -6.135 8.707 1.00 22.13 N ATOM 669 CA GLN A 40 -5.325 -5.180 7.891 1.00 52.14 C ATOM 670 C GLN A 40 -4.698 -5.048 6.507 1.00 71.02 C ATOM 671 O GLN A 40 -3.757 -5.765 6.170 1.00 31.34 O ATOM 672 CB GLN A 40 -5.366 -3.814 8.577 1.00 13.42 C ATOM 673 CG GLN A 40 -6.418 -3.713 9.670 1.00 33.00 C ATOM 674 CD GLN A 40 -6.018 -2.760 10.779 1.00 42.31 C ATOM 675 OE1 GLN A 40 -5.959 -3.140 11.949 1.00 31.12 O ATOM 676 NE2 GLN A 40 -5.741 -1.513 10.417 1.00 45.42 N ATOM 0 H GLN A 40 -3.574 -6.086 8.601 1.00 22.13 H new ATOM 0 HA GLN A 40 -6.343 -5.551 7.775 1.00 52.14 H new ATOM 0 HB2 GLN A 40 -4.387 -3.603 9.006 1.00 13.42 H new ATOM 0 HB3 GLN A 40 -5.558 -3.046 7.828 1.00 13.42 H new ATOM 0 HG2 GLN A 40 -7.360 -3.381 9.233 1.00 33.00 H new ATOM 0 HG3 GLN A 40 -6.594 -4.702 10.092 1.00 33.00 H new ATOM 0 HE21 GLN A 40 -5.803 -1.241 9.436 1.00 45.42 H new ATOM 0 HE22 GLN A 40 -5.466 -0.827 11.120 1.00 45.42 H new ATOM 685 N ASN A 41 -5.226 -4.126 5.708 1.00 30.53 N ATOM 686 CA ASN A 41 -4.719 -3.901 4.359 1.00 11.30 C ATOM 687 C ASN A 41 -5.420 -2.715 3.706 1.00 52.34 C ATOM 688 O ASN A 41 -6.638 -2.719 3.527 1.00 12.12 O ATOM 689 CB ASN A 41 -4.910 -5.155 3.504 1.00 12.25 C ATOM 690 CG ASN A 41 -3.884 -5.259 2.392 1.00 55.33 C ATOM 691 OD1 ASN A 41 -3.353 -6.335 2.121 1.00 41.13 O ATOM 692 ND2 ASN A 41 -3.602 -4.135 1.742 1.00 10.24 N ATOM 0 H ASN A 41 -6.005 -3.523 5.972 1.00 30.53 H new ATOM 0 HA ASN A 41 -3.655 -3.677 4.430 1.00 11.30 H new ATOM 0 HB2 ASN A 41 -4.844 -6.038 4.139 1.00 12.25 H new ATOM 0 HB3 ASN A 41 -5.911 -5.148 3.072 1.00 12.25 H new ATOM 0 HD21 ASN A 41 -2.920 -4.142 0.984 1.00 10.24 H new ATOM 0 HD22 ASN A 41 -4.067 -3.265 2.001 1.00 10.24 H new ATOM 699 N THR A 42 -4.641 -1.697 3.348 1.00 31.24 N ATOM 700 CA THR A 42 -5.186 -0.503 2.715 1.00 63.34 C ATOM 701 C THR A 42 -4.728 -0.392 1.266 1.00 63.05 C ATOM 702 O THR A 42 -3.545 -0.558 0.964 1.00 2.10 O ATOM 703 CB THR A 42 -4.772 0.773 3.472 1.00 73.34 C ATOM 704 OG1 THR A 42 -5.388 0.798 4.764 1.00 33.45 O ATOM 705 CG2 THR A 42 -5.169 2.017 2.691 1.00 73.40 C ATOM 0 H THR A 42 -3.631 -1.677 3.486 1.00 31.24 H new ATOM 0 HA THR A 42 -6.272 -0.597 2.744 1.00 63.34 H new ATOM 0 HB THR A 42 -3.688 0.765 3.587 1.00 73.34 H new ATOM 0 HG1 THR A 42 -5.118 1.611 5.239 1.00 33.45 H new ATOM 0 HG21 THR A 42 -4.867 2.906 3.245 1.00 73.40 H new ATOM 0 HG22 THR A 42 -4.675 2.009 1.719 1.00 73.40 H new ATOM 0 HG23 THR A 42 -6.250 2.028 2.549 1.00 73.40 H new ATOM 713 N PHE A 43 -5.669 -0.111 0.372 1.00 72.45 N ATOM 714 CA PHE A 43 -5.361 0.022 -1.048 1.00 1.42 C ATOM 715 C PHE A 43 -5.896 1.340 -1.600 1.00 13.10 C ATOM 716 O PHE A 43 -7.108 1.541 -1.692 1.00 23.31 O ATOM 717 CB PHE A 43 -5.953 -1.150 -1.832 1.00 35.43 C ATOM 718 CG PHE A 43 -5.933 -2.449 -1.077 1.00 42.54 C ATOM 719 CD1 PHE A 43 -6.631 -2.586 0.111 1.00 14.22 C ATOM 720 CD2 PHE A 43 -5.214 -3.533 -1.556 1.00 55.21 C ATOM 721 CE1 PHE A 43 -6.613 -3.779 0.808 1.00 2.32 C ATOM 722 CE2 PHE A 43 -5.192 -4.728 -0.864 1.00 3.43 C ATOM 723 CZ PHE A 43 -5.893 -4.852 0.320 1.00 75.02 C ATOM 0 H PHE A 43 -6.652 0.029 0.605 1.00 72.45 H new ATOM 0 HA PHE A 43 -4.277 0.015 -1.161 1.00 1.42 H new ATOM 0 HB2 PHE A 43 -6.982 -0.913 -2.103 1.00 35.43 H new ATOM 0 HB3 PHE A 43 -5.398 -1.271 -2.762 1.00 35.43 H new ATOM 0 HD1 PHE A 43 -7.196 -1.751 0.497 1.00 14.22 H new ATOM 0 HD2 PHE A 43 -4.665 -3.442 -2.481 1.00 55.21 H new ATOM 0 HE1 PHE A 43 -7.161 -3.872 1.734 1.00 2.32 H new ATOM 0 HE2 PHE A 43 -4.627 -5.565 -1.248 1.00 3.43 H new ATOM 0 HZ PHE A 43 -5.878 -5.786 0.863 1.00 75.02 H new ATOM 733 N LEU A 44 -4.986 2.235 -1.964 1.00 50.32 N ATOM 734 CA LEU A 44 -5.364 3.535 -2.506 1.00 55.44 C ATOM 735 C LEU A 44 -5.766 3.417 -3.973 1.00 35.21 C ATOM 736 O LEU A 44 -5.045 2.829 -4.779 1.00 71.42 O ATOM 737 CB LEU A 44 -4.210 4.527 -2.361 1.00 44.43 C ATOM 738 CG LEU A 44 -3.200 4.224 -1.253 1.00 2.40 C ATOM 739 CD1 LEU A 44 -2.230 5.383 -1.082 1.00 43.11 C ATOM 740 CD2 LEU A 44 -3.918 3.931 0.057 1.00 64.02 C ATOM 0 H LEU A 44 -3.980 2.084 -1.894 1.00 50.32 H new ATOM 0 HA LEU A 44 -6.221 3.900 -1.941 1.00 55.44 H new ATOM 0 HB2 LEU A 44 -3.675 4.573 -3.310 1.00 44.43 H new ATOM 0 HB3 LEU A 44 -4.629 5.517 -2.183 1.00 44.43 H new ATOM 0 HG LEU A 44 -2.631 3.340 -1.539 1.00 2.40 H new ATOM 0 HD11 LEU A 44 -1.519 5.149 -0.289 1.00 43.11 H new ATOM 0 HD12 LEU A 44 -1.691 5.547 -2.015 1.00 43.11 H new ATOM 0 HD13 LEU A 44 -2.783 6.285 -0.819 1.00 43.11 H new ATOM 0 HD21 LEU A 44 -3.184 3.718 0.834 1.00 64.02 H new ATOM 0 HD22 LEU A 44 -4.513 4.797 0.347 1.00 64.02 H new ATOM 0 HD23 LEU A 44 -4.572 3.068 -0.071 1.00 64.02 H new ATOM 752 N ARG A 45 -6.921 3.982 -4.312 1.00 50.43 N ATOM 753 CA ARG A 45 -7.418 3.941 -5.682 1.00 52.42 C ATOM 754 C ARG A 45 -6.628 4.892 -6.577 1.00 12.43 C ATOM 755 O ARG A 45 -7.087 5.990 -6.895 1.00 34.25 O ATOM 756 CB ARG A 45 -8.904 4.305 -5.720 1.00 4.33 C ATOM 757 CG ARG A 45 -9.758 3.472 -4.778 1.00 52.01 C ATOM 758 CD ARG A 45 -11.241 3.733 -4.992 1.00 44.14 C ATOM 759 NE ARG A 45 -11.596 3.736 -6.409 1.00 52.22 N ATOM 760 CZ ARG A 45 -12.732 4.239 -6.881 1.00 4.03 C ATOM 761 NH1 ARG A 45 -13.616 4.776 -6.053 1.00 14.22 N ATOM 762 NH2 ARG A 45 -12.983 4.204 -8.183 1.00 20.21 N ATOM 0 H ARG A 45 -7.529 4.473 -3.657 1.00 50.43 H new ATOM 0 HA ARG A 45 -7.290 2.926 -6.057 1.00 52.42 H new ATOM 0 HB2 ARG A 45 -9.018 5.359 -5.465 1.00 4.33 H new ATOM 0 HB3 ARG A 45 -9.274 4.181 -6.738 1.00 4.33 H new ATOM 0 HG2 ARG A 45 -9.548 2.414 -4.934 1.00 52.01 H new ATOM 0 HG3 ARG A 45 -9.492 3.701 -3.746 1.00 52.01 H new ATOM 0 HD2 ARG A 45 -11.822 2.970 -4.474 1.00 44.14 H new ATOM 0 HD3 ARG A 45 -11.508 4.692 -4.549 1.00 44.14 H new ATOM 0 HE ARG A 45 -10.936 3.330 -7.072 1.00 52.22 H new ATOM 0 HH11 ARG A 45 -13.425 4.804 -5.051 1.00 14.22 H new ATOM 0 HH12 ARG A 45 -14.487 5.162 -6.417 1.00 14.22 H new ATOM 0 HH21 ARG A 45 -12.304 3.791 -8.822 1.00 20.21 H new ATOM 0 HH22 ARG A 45 -13.855 4.590 -8.545 1.00 20.21 H new ATOM 776 N THR A 46 -5.435 4.466 -6.978 1.00 22.41 N ATOM 777 CA THR A 46 -4.580 5.279 -7.834 1.00 70.00 C ATOM 778 C THR A 46 -3.448 4.449 -8.428 1.00 31.21 C ATOM 779 O THR A 46 -3.123 3.373 -7.927 1.00 11.34 O ATOM 780 CB THR A 46 -3.979 6.468 -7.059 1.00 64.54 C ATOM 781 OG1 THR A 46 -3.482 7.448 -7.977 1.00 1.22 O ATOM 782 CG2 THR A 46 -2.854 6.005 -6.146 1.00 42.21 C ATOM 0 H THR A 46 -5.038 3.561 -6.723 1.00 22.41 H new ATOM 0 HA THR A 46 -5.208 5.660 -8.640 1.00 70.00 H new ATOM 0 HB THR A 46 -4.765 6.909 -6.446 1.00 64.54 H new ATOM 0 HG1 THR A 46 -3.461 8.325 -7.540 1.00 1.22 H new ATOM 0 HG21 THR A 46 -2.445 6.861 -5.609 1.00 42.21 H new ATOM 0 HG22 THR A 46 -3.241 5.280 -5.431 1.00 42.21 H new ATOM 0 HG23 THR A 46 -2.068 5.542 -6.743 1.00 42.21 H new ATOM 790 N THR A 47 -2.849 4.957 -9.502 1.00 23.24 N ATOM 791 CA THR A 47 -1.752 4.262 -10.164 1.00 72.42 C ATOM 792 C THR A 47 -0.416 4.591 -9.509 1.00 51.14 C ATOM 793 O THR A 47 -0.279 5.612 -8.835 1.00 11.42 O ATOM 794 CB THR A 47 -1.681 4.624 -11.660 1.00 44.20 C ATOM 795 OG1 THR A 47 -2.183 5.950 -11.868 1.00 21.01 O ATOM 796 CG2 THR A 47 -2.482 3.637 -12.495 1.00 2.15 C ATOM 0 H THR A 47 -3.105 5.846 -9.931 1.00 23.24 H new ATOM 0 HA THR A 47 -1.948 3.194 -10.064 1.00 72.42 H new ATOM 0 HB THR A 47 -0.638 4.577 -11.973 1.00 44.20 H new ATOM 0 HG1 THR A 47 -2.133 6.173 -12.821 1.00 21.01 H new ATOM 0 HG21 THR A 47 -2.417 3.914 -13.547 1.00 2.15 H new ATOM 0 HG22 THR A 47 -2.079 2.633 -12.358 1.00 2.15 H new ATOM 0 HG23 THR A 47 -3.525 3.656 -12.179 1.00 2.15 H new ATOM 804 N PHE A 48 0.568 3.721 -9.712 1.00 14.14 N ATOM 805 CA PHE A 48 1.894 3.921 -9.139 1.00 64.52 C ATOM 806 C PHE A 48 2.423 5.315 -9.463 1.00 33.42 C ATOM 807 O PHE A 48 3.011 5.980 -8.611 1.00 53.10 O ATOM 808 CB PHE A 48 2.864 2.860 -9.665 1.00 72.13 C ATOM 809 CG PHE A 48 3.867 2.405 -8.644 1.00 53.23 C ATOM 810 CD1 PHE A 48 5.026 3.131 -8.422 1.00 32.01 C ATOM 811 CD2 PHE A 48 3.651 1.252 -7.907 1.00 42.54 C ATOM 812 CE1 PHE A 48 5.951 2.716 -7.482 1.00 52.10 C ATOM 813 CE2 PHE A 48 4.572 0.833 -6.966 1.00 23.21 C ATOM 814 CZ PHE A 48 5.724 1.566 -6.755 1.00 24.33 C ATOM 0 H PHE A 48 0.472 2.872 -10.268 1.00 14.14 H new ATOM 0 HA PHE A 48 1.813 3.826 -8.056 1.00 64.52 H new ATOM 0 HB2 PHE A 48 2.294 1.998 -10.012 1.00 72.13 H new ATOM 0 HB3 PHE A 48 3.394 3.260 -10.529 1.00 72.13 H new ATOM 0 HD1 PHE A 48 5.209 4.031 -8.990 1.00 32.01 H new ATOM 0 HD2 PHE A 48 2.753 0.674 -8.070 1.00 42.54 H new ATOM 0 HE1 PHE A 48 6.850 3.291 -7.317 1.00 52.10 H new ATOM 0 HE2 PHE A 48 4.392 -0.066 -6.396 1.00 23.21 H new ATOM 0 HZ PHE A 48 6.446 1.239 -6.022 1.00 24.33 H new ATOM 824 N ALA A 49 2.209 5.749 -10.701 1.00 64.53 N ATOM 825 CA ALA A 49 2.662 7.063 -11.138 1.00 12.22 C ATOM 826 C ALA A 49 2.186 8.154 -10.183 1.00 25.21 C ATOM 827 O ALA A 49 2.979 8.962 -9.704 1.00 24.12 O ATOM 828 CB ALA A 49 2.175 7.347 -12.551 1.00 32.01 C ATOM 0 H ALA A 49 1.725 5.209 -11.418 1.00 64.53 H new ATOM 0 HA ALA A 49 3.752 7.063 -11.134 1.00 12.22 H new ATOM 0 HB1 ALA A 49 2.521 8.332 -12.864 1.00 32.01 H new ATOM 0 HB2 ALA A 49 2.569 6.591 -13.230 1.00 32.01 H new ATOM 0 HB3 ALA A 49 1.086 7.322 -12.572 1.00 32.01 H new ATOM 834 N ASN A 50 0.885 8.170 -9.913 1.00 21.43 N ATOM 835 CA ASN A 50 0.302 9.162 -9.017 1.00 3.21 C ATOM 836 C ASN A 50 0.981 9.125 -7.650 1.00 55.44 C ATOM 837 O ASN A 50 0.922 10.091 -6.890 1.00 53.21 O ATOM 838 CB ASN A 50 -1.200 8.918 -8.860 1.00 12.14 C ATOM 839 CG ASN A 50 -1.970 9.219 -10.130 1.00 53.11 C ATOM 840 OD1 ASN A 50 -2.133 10.378 -10.512 1.00 42.53 O ATOM 841 ND2 ASN A 50 -2.450 8.172 -10.793 1.00 55.22 N ATOM 0 H ASN A 50 0.214 7.507 -10.302 1.00 21.43 H new ATOM 0 HA ASN A 50 0.459 10.148 -9.455 1.00 3.21 H new ATOM 0 HB2 ASN A 50 -1.369 7.880 -8.573 1.00 12.14 H new ATOM 0 HB3 ASN A 50 -1.583 9.539 -8.050 1.00 12.14 H new ATOM 0 HD21 ASN A 50 -2.977 8.312 -11.655 1.00 55.22 H new ATOM 0 HD22 ASN A 50 -2.291 7.228 -10.440 1.00 55.22 H new ATOM 848 N VAL A 51 1.626 8.004 -7.347 1.00 22.03 N ATOM 849 CA VAL A 51 2.318 7.840 -6.073 1.00 54.55 C ATOM 850 C VAL A 51 3.757 8.337 -6.162 1.00 35.14 C ATOM 851 O VAL A 51 4.204 9.127 -5.331 1.00 4.13 O ATOM 852 CB VAL A 51 2.321 6.368 -5.620 1.00 72.25 C ATOM 853 CG1 VAL A 51 3.439 6.120 -4.618 1.00 74.23 C ATOM 854 CG2 VAL A 51 0.971 5.990 -5.031 1.00 22.23 C ATOM 0 H VAL A 51 1.684 7.195 -7.966 1.00 22.03 H new ATOM 0 HA VAL A 51 1.775 8.436 -5.339 1.00 54.55 H new ATOM 0 HB VAL A 51 2.501 5.738 -6.491 1.00 72.25 H new ATOM 0 HG11 VAL A 51 3.426 5.075 -4.309 1.00 74.23 H new ATOM 0 HG12 VAL A 51 4.399 6.350 -5.080 1.00 74.23 H new ATOM 0 HG13 VAL A 51 3.294 6.758 -3.746 1.00 74.23 H new ATOM 0 HG21 VAL A 51 0.991 4.947 -4.716 1.00 22.23 H new ATOM 0 HG22 VAL A 51 0.759 6.625 -4.171 1.00 22.23 H new ATOM 0 HG23 VAL A 51 0.194 6.127 -5.783 1.00 22.23 H new ATOM 864 N VAL A 52 4.477 7.870 -7.176 1.00 32.35 N ATOM 865 CA VAL A 52 5.865 8.266 -7.375 1.00 50.53 C ATOM 866 C VAL A 52 6.001 9.784 -7.422 1.00 41.41 C ATOM 867 O VAL A 52 7.036 10.337 -7.052 1.00 22.54 O ATOM 868 CB VAL A 52 6.439 7.671 -8.674 1.00 12.20 C ATOM 869 CG1 VAL A 52 7.903 8.049 -8.834 1.00 22.31 C ATOM 870 CG2 VAL A 52 6.265 6.160 -8.689 1.00 5.22 C ATOM 0 H VAL A 52 4.121 7.216 -7.873 1.00 32.35 H new ATOM 0 HA VAL A 52 6.429 7.878 -6.527 1.00 50.53 H new ATOM 0 HB VAL A 52 5.888 8.086 -9.518 1.00 12.20 H new ATOM 0 HG11 VAL A 52 8.291 7.619 -9.758 1.00 22.31 H new ATOM 0 HG12 VAL A 52 7.997 9.134 -8.871 1.00 22.31 H new ATOM 0 HG13 VAL A 52 8.473 7.665 -7.988 1.00 22.31 H new ATOM 0 HG21 VAL A 52 6.676 5.756 -9.614 1.00 5.22 H new ATOM 0 HG22 VAL A 52 6.789 5.725 -7.838 1.00 5.22 H new ATOM 0 HG23 VAL A 52 5.205 5.915 -8.626 1.00 5.22 H new ATOM 880 N ASN A 53 4.947 10.454 -7.879 1.00 30.45 N ATOM 881 CA ASN A 53 4.949 11.909 -7.974 1.00 22.43 C ATOM 882 C ASN A 53 4.915 12.545 -6.587 1.00 74.45 C ATOM 883 O ASN A 53 5.423 13.648 -6.386 1.00 72.31 O ATOM 884 CB ASN A 53 3.750 12.388 -8.796 1.00 22.11 C ATOM 885 CG ASN A 53 3.420 13.846 -8.541 1.00 52.41 C ATOM 886 OD1 ASN A 53 3.981 14.741 -9.173 1.00 11.20 O ATOM 887 ND2 ASN A 53 2.505 14.092 -7.610 1.00 22.45 N ATOM 0 H ASN A 53 4.081 10.012 -8.189 1.00 30.45 H new ATOM 0 HA ASN A 53 5.869 12.215 -8.472 1.00 22.43 H new ATOM 0 HB2 ASN A 53 3.960 12.246 -9.856 1.00 22.11 H new ATOM 0 HB3 ASN A 53 2.881 11.775 -8.558 1.00 22.11 H new ATOM 0 HD21 ASN A 53 2.242 15.054 -7.395 1.00 22.45 H new ATOM 0 HD22 ASN A 53 2.065 13.319 -7.110 1.00 22.45 H new ATOM 894 N VAL A 54 4.313 11.841 -5.633 1.00 61.22 N ATOM 895 CA VAL A 54 4.215 12.334 -4.265 1.00 52.41 C ATOM 896 C VAL A 54 5.590 12.434 -3.616 1.00 64.25 C ATOM 897 O VAL A 54 5.823 13.282 -2.755 1.00 42.22 O ATOM 898 CB VAL A 54 3.317 11.427 -3.404 1.00 61.10 C ATOM 899 CG1 VAL A 54 3.597 11.647 -1.925 1.00 65.00 C ATOM 900 CG2 VAL A 54 1.850 11.675 -3.720 1.00 11.41 C ATOM 0 H VAL A 54 3.886 10.927 -5.783 1.00 61.22 H new ATOM 0 HA VAL A 54 3.770 13.327 -4.319 1.00 52.41 H new ATOM 0 HB VAL A 54 3.545 10.388 -3.642 1.00 61.10 H new ATOM 0 HG11 VAL A 54 2.953 10.997 -1.332 1.00 65.00 H new ATOM 0 HG12 VAL A 54 4.641 11.414 -1.714 1.00 65.00 H new ATOM 0 HG13 VAL A 54 3.398 12.687 -1.668 1.00 65.00 H new ATOM 0 HG21 VAL A 54 1.230 11.025 -3.102 1.00 11.41 H new ATOM 0 HG22 VAL A 54 1.604 12.716 -3.512 1.00 11.41 H new ATOM 0 HG23 VAL A 54 1.663 11.461 -4.772 1.00 11.41 H new ATOM 910 N CYS A 55 6.501 11.560 -4.035 1.00 74.03 N ATOM 911 CA CYS A 55 7.854 11.548 -3.496 1.00 44.55 C ATOM 912 C CYS A 55 8.573 12.860 -3.799 1.00 44.11 C ATOM 913 O CYS A 55 9.423 13.306 -3.030 1.00 1.21 O ATOM 914 CB CYS A 55 8.646 10.375 -4.077 1.00 4.35 C ATOM 915 SG CYS A 55 7.963 8.738 -3.660 1.00 63.04 S ATOM 0 H CYS A 55 6.325 10.851 -4.747 1.00 74.03 H new ATOM 0 HA CYS A 55 7.786 11.433 -2.414 1.00 44.55 H new ATOM 0 HB2 CYS A 55 8.682 10.476 -5.162 1.00 4.35 H new ATOM 0 HB3 CYS A 55 9.674 10.431 -3.717 1.00 4.35 H new ATOM 920 N GLY A 56 8.223 13.474 -4.926 1.00 1.14 N ATOM 921 CA GLY A 56 8.844 14.728 -5.311 1.00 33.03 C ATOM 922 C GLY A 56 8.181 15.925 -4.660 1.00 54.33 C ATOM 923 O GLY A 56 8.310 17.051 -5.140 1.00 74.42 O ATOM 0 H GLY A 56 7.521 13.125 -5.579 1.00 1.14 H new ATOM 0 HA2 GLY A 56 9.899 14.707 -5.037 1.00 33.03 H new ATOM 0 HA3 GLY A 56 8.798 14.835 -6.395 1.00 33.03 H new ATOM 927 N ASN A 57 7.466 15.684 -3.566 1.00 4.30 N ATOM 928 CA ASN A 57 6.778 16.752 -2.851 1.00 0.42 C ATOM 929 C ASN A 57 7.434 17.011 -1.498 1.00 3.51 C ATOM 930 O ASN A 57 8.224 16.200 -1.014 1.00 63.23 O ATOM 931 CB ASN A 57 5.303 16.396 -2.655 1.00 4.15 C ATOM 932 CG ASN A 57 4.536 16.375 -3.962 1.00 11.02 C ATOM 933 OD1 ASN A 57 4.974 16.942 -4.962 1.00 43.42 O ATOM 934 ND2 ASN A 57 3.382 15.718 -3.960 1.00 14.04 N ATOM 0 H ASN A 57 7.348 14.758 -3.155 1.00 4.30 H new ATOM 0 HA ASN A 57 6.849 17.660 -3.450 1.00 0.42 H new ATOM 0 HB2 ASN A 57 5.228 15.419 -2.177 1.00 4.15 H new ATOM 0 HB3 ASN A 57 4.844 17.118 -1.979 1.00 4.15 H new ATOM 0 HD21 ASN A 57 2.821 15.669 -4.811 1.00 14.04 H new ATOM 0 HD22 ASN A 57 3.056 15.262 -3.108 1.00 14.04 H new ATOM 941 N GLN A 58 7.101 18.147 -0.892 1.00 62.23 N ATOM 942 CA GLN A 58 7.657 18.512 0.405 1.00 44.42 C ATOM 943 C GLN A 58 7.602 17.335 1.373 1.00 74.22 C ATOM 944 O GLN A 58 6.530 16.962 1.851 1.00 5.10 O ATOM 945 CB GLN A 58 6.900 19.706 0.991 1.00 25.40 C ATOM 946 CG GLN A 58 7.458 20.186 2.320 1.00 51.40 C ATOM 947 CD GLN A 58 8.963 20.368 2.291 1.00 22.45 C ATOM 948 OE1 GLN A 58 9.466 21.419 1.892 1.00 4.05 O ATOM 949 NE2 GLN A 58 9.692 19.341 2.713 1.00 21.43 N ATOM 0 H GLN A 58 6.449 18.830 -1.279 1.00 62.23 H new ATOM 0 HA GLN A 58 8.701 18.789 0.259 1.00 44.42 H new ATOM 0 HB2 GLN A 58 6.927 20.529 0.277 1.00 25.40 H new ATOM 0 HB3 GLN A 58 5.853 19.433 1.123 1.00 25.40 H new ATOM 0 HG2 GLN A 58 6.987 21.132 2.587 1.00 51.40 H new ATOM 0 HG3 GLN A 58 7.198 19.469 3.099 1.00 51.40 H new ATOM 0 HE21 GLN A 58 9.234 18.489 3.035 1.00 21.43 H new ATOM 0 HE22 GLN A 58 10.710 19.405 2.715 1.00 21.43 H new ATOM 958 N SER A 59 8.763 16.753 1.657 1.00 2.05 N ATOM 959 CA SER A 59 8.846 15.614 2.564 1.00 12.51 C ATOM 960 C SER A 59 8.490 16.029 3.989 1.00 10.02 C ATOM 961 O SER A 59 8.557 17.208 4.339 1.00 13.33 O ATOM 962 CB SER A 59 10.251 15.011 2.533 1.00 14.51 C ATOM 963 OG SER A 59 11.231 15.986 2.844 1.00 24.13 O ATOM 0 H SER A 59 9.659 17.052 1.272 1.00 2.05 H new ATOM 0 HA SER A 59 8.129 14.863 2.232 1.00 12.51 H new ATOM 0 HB2 SER A 59 10.313 14.188 3.245 1.00 14.51 H new ATOM 0 HB3 SER A 59 10.449 14.593 1.546 1.00 14.51 H new ATOM 0 HG SER A 59 12.120 15.575 2.819 1.00 24.13 H new ATOM 969 N ILE A 60 8.112 15.051 4.806 1.00 74.12 N ATOM 970 CA ILE A 60 7.747 15.314 6.193 1.00 62.42 C ATOM 971 C ILE A 60 8.224 14.191 7.109 1.00 61.12 C ATOM 972 O ILE A 60 8.859 13.238 6.658 1.00 22.04 O ATOM 973 CB ILE A 60 6.224 15.478 6.352 1.00 73.21 C ATOM 974 CG1 ILE A 60 5.486 14.423 5.526 1.00 31.05 C ATOM 975 CG2 ILE A 60 5.796 16.879 5.937 1.00 24.23 C ATOM 976 CD1 ILE A 60 3.992 14.408 5.761 1.00 54.13 C ATOM 0 H ILE A 60 8.051 14.070 4.532 1.00 74.12 H new ATOM 0 HA ILE A 60 8.237 16.245 6.478 1.00 62.42 H new ATOM 0 HB ILE A 60 5.966 15.336 7.401 1.00 73.21 H new ATOM 0 HG12 ILE A 60 5.677 14.602 4.468 1.00 31.05 H new ATOM 0 HG13 ILE A 60 5.893 13.439 5.761 1.00 31.05 H new ATOM 0 HG21 ILE A 60 4.717 16.980 6.055 1.00 24.23 H new ATOM 0 HG22 ILE A 60 6.300 17.614 6.565 1.00 24.23 H new ATOM 0 HG23 ILE A 60 6.064 17.047 4.894 1.00 24.23 H new ATOM 0 HD11 ILE A 60 3.534 13.636 5.143 1.00 54.13 H new ATOM 0 HD12 ILE A 60 3.791 14.198 6.812 1.00 54.13 H new ATOM 0 HD13 ILE A 60 3.573 15.379 5.498 1.00 54.13 H new ATOM 988 N ARG A 61 7.912 14.311 8.394 1.00 11.21 N ATOM 989 CA ARG A 61 8.309 13.307 9.374 1.00 13.01 C ATOM 990 C ARG A 61 7.155 12.353 9.672 1.00 73.14 C ATOM 991 O ARG A 61 6.079 12.776 10.094 1.00 3.53 O ATOM 992 CB ARG A 61 8.774 13.980 10.666 1.00 2.24 C ATOM 993 CG ARG A 61 8.011 15.252 11.000 1.00 64.13 C ATOM 994 CD ARG A 61 8.675 16.475 10.388 1.00 52.41 C ATOM 995 NE ARG A 61 8.451 17.677 11.188 1.00 40.32 N ATOM 996 CZ ARG A 61 7.274 18.284 11.288 1.00 15.52 C ATOM 997 NH1 ARG A 61 6.220 17.806 10.642 1.00 60.03 N ATOM 998 NH2 ARG A 61 7.149 19.374 12.036 1.00 2.24 N ATOM 0 H ARG A 61 7.385 15.094 8.782 1.00 11.21 H new ATOM 0 HA ARG A 61 9.135 12.732 8.954 1.00 13.01 H new ATOM 0 HB2 ARG A 61 8.668 13.276 11.491 1.00 2.24 H new ATOM 0 HB3 ARG A 61 9.835 14.215 10.582 1.00 2.24 H new ATOM 0 HG2 ARG A 61 6.987 15.171 10.634 1.00 64.13 H new ATOM 0 HG3 ARG A 61 7.954 15.370 12.082 1.00 64.13 H new ATOM 0 HD2 ARG A 61 9.746 16.297 10.293 1.00 52.41 H new ATOM 0 HD3 ARG A 61 8.288 16.632 9.381 1.00 52.41 H new ATOM 0 HE ARG A 61 9.242 18.071 11.697 1.00 40.32 H new ATOM 0 HH11 ARG A 61 6.311 16.969 10.066 1.00 60.03 H new ATOM 0 HH12 ARG A 61 5.318 18.275 10.721 1.00 60.03 H new ATOM 0 HH21 ARG A 61 7.957 19.746 12.534 1.00 2.24 H new ATOM 0 HH22 ARG A 61 6.245 19.839 12.112 1.00 2.24 H new ATOM 1012 N CYS A 62 7.388 11.064 9.448 1.00 54.35 N ATOM 1013 CA CYS A 62 6.369 10.050 9.691 1.00 73.51 C ATOM 1014 C CYS A 62 6.006 9.987 11.171 1.00 43.22 C ATOM 1015 O CYS A 62 6.840 10.204 12.051 1.00 51.15 O ATOM 1016 CB CYS A 62 6.860 8.681 9.215 1.00 11.34 C ATOM 1017 SG CYS A 62 7.900 8.741 7.721 1.00 31.11 S ATOM 0 H CYS A 62 8.273 10.697 9.099 1.00 54.35 H new ATOM 0 HA CYS A 62 5.477 10.324 9.129 1.00 73.51 H new ATOM 0 HB2 CYS A 62 7.425 8.210 10.019 1.00 11.34 H new ATOM 0 HB3 CYS A 62 5.996 8.046 9.018 1.00 11.34 H new ATOM 1022 N PRO A 63 4.731 9.681 11.456 1.00 43.43 N ATOM 1023 CA PRO A 63 4.229 9.581 12.829 1.00 74.33 C ATOM 1024 C PRO A 63 4.787 8.367 13.563 1.00 35.32 C ATOM 1025 O PRO A 63 5.113 8.442 14.749 1.00 31.51 O ATOM 1026 CB PRO A 63 2.715 9.446 12.643 1.00 4.33 C ATOM 1027 CG PRO A 63 2.551 8.862 11.283 1.00 22.12 C ATOM 1028 CD PRO A 63 3.683 9.409 10.458 1.00 53.43 C ATOM 0 HA PRO A 63 4.523 10.438 13.435 1.00 74.33 H new ATOM 0 HB2 PRO A 63 2.278 8.801 13.406 1.00 4.33 H new ATOM 0 HB3 PRO A 63 2.219 10.413 12.721 1.00 4.33 H new ATOM 0 HG2 PRO A 63 2.585 7.773 11.319 1.00 22.12 H new ATOM 0 HG3 PRO A 63 1.587 9.137 10.854 1.00 22.12 H new ATOM 0 HD2 PRO A 63 4.018 8.691 9.709 1.00 53.43 H new ATOM 0 HD3 PRO A 63 3.391 10.314 9.925 1.00 53.43 H new ATOM 1036 N HIS A 64 4.893 7.249 12.853 1.00 22.51 N ATOM 1037 CA HIS A 64 5.413 6.018 13.438 1.00 73.11 C ATOM 1038 C HIS A 64 6.890 6.165 13.791 1.00 43.10 C ATOM 1039 O HIS A 64 7.445 5.354 14.531 1.00 72.02 O ATOM 1040 CB HIS A 64 5.222 4.849 12.471 1.00 34.24 C ATOM 1041 CG HIS A 64 3.790 4.444 12.298 1.00 60.42 C ATOM 1042 ND1 HIS A 64 3.340 3.713 11.218 1.00 51.41 N ATOM 1043 CD2 HIS A 64 2.705 4.668 13.076 1.00 52.23 C ATOM 1044 CE1 HIS A 64 2.041 3.509 11.339 1.00 72.52 C ATOM 1045 NE2 HIS A 64 1.631 4.078 12.457 1.00 3.43 N ATOM 0 H HIS A 64 4.626 7.170 11.872 1.00 22.51 H new ATOM 0 HA HIS A 64 4.857 5.817 14.354 1.00 73.11 H new ATOM 0 HB2 HIS A 64 5.634 5.121 11.499 1.00 34.24 H new ATOM 0 HB3 HIS A 64 5.792 3.993 12.831 1.00 34.24 H new ATOM 0 HD2 HIS A 64 2.688 5.210 14.010 1.00 52.23 H new ATOM 0 HE1 HIS A 64 1.419 2.968 10.641 1.00 72.52 H new ATOM 0 HE2 HIS A 64 0.672 4.079 12.805 1.00 3.43 H new ATOM 1054 N ASN A 65 7.520 7.205 13.254 1.00 50.41 N ATOM 1055 CA ASN A 65 8.933 7.457 13.512 1.00 43.31 C ATOM 1056 C ASN A 65 9.212 8.956 13.597 1.00 64.53 C ATOM 1057 O ASN A 65 9.219 9.655 12.584 1.00 25.54 O ATOM 1058 CB ASN A 65 9.794 6.829 12.413 1.00 53.52 C ATOM 1059 CG ASN A 65 9.282 5.467 11.987 1.00 63.04 C ATOM 1060 OD1 ASN A 65 9.313 4.510 12.761 1.00 0.14 O ATOM 1061 ND2 ASN A 65 8.811 5.372 10.750 1.00 74.31 N ATOM 0 H ASN A 65 7.075 7.886 12.638 1.00 50.41 H new ATOM 0 HA ASN A 65 9.188 7.002 14.469 1.00 43.31 H new ATOM 0 HB2 ASN A 65 9.816 7.493 11.549 1.00 53.52 H new ATOM 0 HB3 ASN A 65 10.820 6.734 12.768 1.00 53.52 H new ATOM 0 HD21 ASN A 65 8.456 4.480 10.407 1.00 74.31 H new ATOM 0 HD22 ASN A 65 8.804 6.191 10.143 1.00 74.31 H new ATOM 1068 N ARG A 66 9.441 9.440 14.812 1.00 2.24 N ATOM 1069 CA ARG A 66 9.720 10.855 15.031 1.00 74.31 C ATOM 1070 C ARG A 66 11.147 11.198 14.616 1.00 0.32 C ATOM 1071 O ARG A 66 11.610 12.323 14.814 1.00 33.33 O ATOM 1072 CB ARG A 66 9.503 11.219 16.501 1.00 23.33 C ATOM 1073 CG ARG A 66 10.680 10.864 17.396 1.00 34.55 C ATOM 1074 CD ARG A 66 10.358 11.108 18.862 1.00 21.54 C ATOM 1075 NE ARG A 66 9.183 10.356 19.297 1.00 22.21 N ATOM 1076 CZ ARG A 66 8.828 10.220 20.569 1.00 35.44 C ATOM 1077 NH1 ARG A 66 9.551 10.782 21.527 1.00 12.34 N ATOM 1078 NH2 ARG A 66 7.745 9.521 20.885 1.00 35.41 N ATOM 0 H ARG A 66 9.439 8.874 15.661 1.00 2.24 H new ATOM 0 HA ARG A 66 9.032 11.434 14.416 1.00 74.31 H new ATOM 0 HB2 ARG A 66 9.309 12.289 16.577 1.00 23.33 H new ATOM 0 HB3 ARG A 66 8.612 10.707 16.866 1.00 23.33 H new ATOM 0 HG2 ARG A 66 10.947 9.817 17.250 1.00 34.55 H new ATOM 0 HG3 ARG A 66 11.548 11.457 17.109 1.00 34.55 H new ATOM 0 HD2 ARG A 66 11.215 10.826 19.473 1.00 21.54 H new ATOM 0 HD3 ARG A 66 10.187 12.172 19.023 1.00 21.54 H new ATOM 0 HE ARG A 66 8.604 9.911 18.585 1.00 22.21 H new ATOM 0 HH11 ARG A 66 10.383 11.321 21.288 1.00 12.34 H new ATOM 0 HH12 ARG A 66 9.275 10.675 22.503 1.00 12.34 H new ATOM 0 HH21 ARG A 66 7.185 9.088 20.150 1.00 35.41 H new ATOM 0 HH22 ARG A 66 7.473 9.417 21.862 1.00 35.41 H new ATOM 1092 N THR A 67 11.841 10.222 14.039 1.00 10.41 N ATOM 1093 CA THR A 67 13.216 10.420 13.597 1.00 3.33 C ATOM 1094 C THR A 67 13.354 10.171 12.100 1.00 54.23 C ATOM 1095 O THR A 67 13.962 10.967 11.381 1.00 22.43 O ATOM 1096 CB THR A 67 14.187 9.493 14.352 1.00 31.11 C ATOM 1097 OG1 THR A 67 15.519 9.668 13.854 1.00 54.32 O ATOM 1098 CG2 THR A 67 13.772 8.037 14.202 1.00 1.11 C ATOM 0 H THR A 67 11.473 9.286 13.867 1.00 10.41 H new ATOM 0 HA THR A 67 13.472 11.457 13.815 1.00 3.33 H new ATOM 0 HB THR A 67 14.157 9.756 15.409 1.00 31.11 H new ATOM 0 HG1 THR A 67 16.130 9.076 14.340 1.00 54.32 H new ATOM 0 HG21 THR A 67 14.473 7.401 14.744 1.00 1.11 H new ATOM 0 HG22 THR A 67 12.770 7.901 14.608 1.00 1.11 H new ATOM 0 HG23 THR A 67 13.776 7.764 13.147 1.00 1.11 H new ATOM 1106 N LEU A 68 12.786 9.066 11.634 1.00 33.45 N ATOM 1107 CA LEU A 68 12.844 8.712 10.220 1.00 43.15 C ATOM 1108 C LEU A 68 12.036 9.696 9.378 1.00 31.54 C ATOM 1109 O LEU A 68 10.821 9.808 9.533 1.00 14.15 O ATOM 1110 CB LEU A 68 12.319 7.291 10.006 1.00 45.42 C ATOM 1111 CG LEU A 68 12.927 6.521 8.834 1.00 70.45 C ATOM 1112 CD1 LEU A 68 12.645 5.033 8.968 1.00 73.20 C ATOM 1113 CD2 LEU A 68 12.387 7.050 7.512 1.00 22.20 C ATOM 0 H LEU A 68 12.279 8.398 12.215 1.00 33.45 H new ATOM 0 HA LEU A 68 13.886 8.759 9.903 1.00 43.15 H new ATOM 0 HB2 LEU A 68 12.491 6.720 10.918 1.00 45.42 H new ATOM 0 HB3 LEU A 68 11.240 7.342 9.861 1.00 45.42 H new ATOM 0 HG LEU A 68 14.007 6.668 8.849 1.00 70.45 H new ATOM 0 HD11 LEU A 68 13.086 4.502 8.124 1.00 73.20 H new ATOM 0 HD12 LEU A 68 13.079 4.663 9.897 1.00 73.20 H new ATOM 0 HD13 LEU A 68 11.568 4.866 8.979 1.00 73.20 H new ATOM 0 HD21 LEU A 68 12.830 6.491 6.688 1.00 22.20 H new ATOM 0 HD22 LEU A 68 11.304 6.933 7.489 1.00 22.20 H new ATOM 0 HD23 LEU A 68 12.640 8.105 7.412 1.00 22.20 H new ATOM 1125 N ASN A 69 12.720 10.404 8.487 1.00 51.35 N ATOM 1126 CA ASN A 69 12.065 11.377 7.619 1.00 5.51 C ATOM 1127 C ASN A 69 12.306 11.044 6.150 1.00 43.05 C ATOM 1128 O ASN A 69 13.004 11.771 5.444 1.00 4.33 O ATOM 1129 CB ASN A 69 12.575 12.787 7.924 1.00 40.52 C ATOM 1130 CG ASN A 69 14.087 12.845 8.034 1.00 33.02 C ATOM 1131 OD1 ASN A 69 14.801 12.183 7.280 1.00 24.22 O ATOM 1132 ND2 ASN A 69 14.582 13.638 8.977 1.00 73.34 N ATOM 0 H ASN A 69 13.727 10.323 8.346 1.00 51.35 H new ATOM 0 HA ASN A 69 10.993 11.336 7.811 1.00 5.51 H new ATOM 0 HB2 ASN A 69 12.244 13.467 7.139 1.00 40.52 H new ATOM 0 HB3 ASN A 69 12.132 13.137 8.857 1.00 40.52 H new ATOM 0 HD21 ASN A 69 15.592 13.717 9.099 1.00 73.34 H new ATOM 0 HD22 ASN A 69 13.953 14.168 9.579 1.00 73.34 H new ATOM 1139 N ASN A 70 11.721 9.941 5.695 1.00 32.45 N ATOM 1140 CA ASN A 70 11.871 9.511 4.310 1.00 72.12 C ATOM 1141 C ASN A 70 10.511 9.242 3.673 1.00 33.44 C ATOM 1142 O ASN A 70 10.414 8.554 2.656 1.00 10.54 O ATOM 1143 CB ASN A 70 12.739 8.254 4.235 1.00 43.24 C ATOM 1144 CG ASN A 70 14.221 8.572 4.300 1.00 63.25 C ATOM 1145 OD1 ASN A 70 14.735 8.984 5.339 1.00 31.03 O ATOM 1146 ND2 ASN A 70 14.916 8.380 3.185 1.00 64.23 N ATOM 0 H ASN A 70 11.138 9.328 6.266 1.00 32.45 H new ATOM 0 HA ASN A 70 12.359 10.314 3.758 1.00 72.12 H new ATOM 0 HB2 ASN A 70 12.477 7.585 5.055 1.00 43.24 H new ATOM 0 HB3 ASN A 70 12.524 7.722 3.308 1.00 43.24 H new ATOM 0 HD21 ASN A 70 15.917 8.576 3.168 1.00 64.23 H new ATOM 0 HD22 ASN A 70 14.449 8.037 2.346 1.00 64.23 H new ATOM 1153 N CYS A 71 9.462 9.787 4.279 1.00 14.14 N ATOM 1154 CA CYS A 71 8.106 9.606 3.774 1.00 61.22 C ATOM 1155 C CYS A 71 7.458 10.952 3.462 1.00 34.23 C ATOM 1156 O CYS A 71 7.717 11.949 4.137 1.00 65.35 O ATOM 1157 CB CYS A 71 7.257 8.842 4.791 1.00 21.13 C ATOM 1158 SG CYS A 71 6.911 9.771 6.320 1.00 43.44 S ATOM 0 H CYS A 71 9.525 10.358 5.122 1.00 14.14 H new ATOM 0 HA CYS A 71 8.163 9.027 2.852 1.00 61.22 H new ATOM 0 HB2 CYS A 71 6.311 8.566 4.324 1.00 21.13 H new ATOM 0 HB3 CYS A 71 7.767 7.914 5.050 1.00 21.13 H new ATOM 1163 N HIS A 72 6.611 10.972 2.438 1.00 61.03 N ATOM 1164 CA HIS A 72 5.924 12.195 2.038 1.00 72.53 C ATOM 1165 C HIS A 72 4.414 11.981 1.997 1.00 62.22 C ATOM 1166 O HIS A 72 3.939 10.912 1.612 1.00 23.04 O ATOM 1167 CB HIS A 72 6.422 12.660 0.668 1.00 2.14 C ATOM 1168 CG HIS A 72 7.890 12.444 0.460 1.00 34.23 C ATOM 1169 ND1 HIS A 72 8.746 13.443 0.048 1.00 23.23 N ATOM 1170 CD2 HIS A 72 8.652 11.335 0.611 1.00 54.31 C ATOM 1171 CE1 HIS A 72 9.971 12.958 -0.048 1.00 31.03 C ATOM 1172 NE2 HIS A 72 9.941 11.681 0.289 1.00 20.24 N ATOM 0 H HIS A 72 6.384 10.156 1.870 1.00 61.03 H new ATOM 0 HA HIS A 72 6.145 12.965 2.777 1.00 72.53 H new ATOM 0 HB2 HIS A 72 5.871 12.130 -0.109 1.00 2.14 H new ATOM 0 HB3 HIS A 72 6.199 13.720 0.550 1.00 2.14 H new ATOM 0 HD1 HIS A 72 8.476 14.406 -0.152 1.00 23.23 H new ATOM 0 HD2 HIS A 72 8.310 10.360 0.926 1.00 54.31 H new ATOM 0 HE1 HIS A 72 10.848 13.511 -0.351 1.00 31.03 H new ATOM 1181 N ARG A 73 3.666 13.004 2.395 1.00 35.31 N ATOM 1182 CA ARG A 73 2.209 12.927 2.405 1.00 30.25 C ATOM 1183 C ARG A 73 1.634 13.309 1.045 1.00 42.51 C ATOM 1184 O ARG A 73 2.053 14.296 0.439 1.00 65.20 O ATOM 1185 CB ARG A 73 1.636 13.842 3.490 1.00 62.40 C ATOM 1186 CG ARG A 73 0.142 13.667 3.707 1.00 3.24 C ATOM 1187 CD ARG A 73 -0.422 14.763 4.599 1.00 24.52 C ATOM 1188 NE ARG A 73 -0.278 16.086 3.998 1.00 64.51 N ATOM 1189 CZ ARG A 73 -0.997 17.141 4.364 1.00 12.02 C ATOM 1190 NH1 ARG A 73 -1.906 17.028 5.323 1.00 65.40 N ATOM 1191 NH2 ARG A 73 -0.808 18.313 3.770 1.00 22.33 N ATOM 0 H ARG A 73 4.044 13.896 2.715 1.00 35.31 H new ATOM 0 HA ARG A 73 1.926 11.897 2.622 1.00 30.25 H new ATOM 0 HB2 ARG A 73 2.156 13.649 4.428 1.00 62.40 H new ATOM 0 HB3 ARG A 73 1.837 14.879 3.222 1.00 62.40 H new ATOM 0 HG2 ARG A 73 -0.371 13.679 2.745 1.00 3.24 H new ATOM 0 HG3 ARG A 73 -0.050 12.694 4.158 1.00 3.24 H new ATOM 0 HD2 ARG A 73 -1.476 14.566 4.793 1.00 24.52 H new ATOM 0 HD3 ARG A 73 0.088 14.745 5.562 1.00 24.52 H new ATOM 0 HE ARG A 73 0.412 16.206 3.257 1.00 64.51 H new ATOM 0 HH11 ARG A 73 -2.054 16.129 5.782 1.00 65.40 H new ATOM 0 HH12 ARG A 73 -2.457 17.840 5.602 1.00 65.40 H new ATOM 0 HH21 ARG A 73 -0.110 18.404 3.032 1.00 22.33 H new ATOM 0 HH22 ARG A 73 -1.361 19.123 4.052 1.00 22.33 H new ATOM 1205 N SER A 74 0.673 12.523 0.572 1.00 63.22 N ATOM 1206 CA SER A 74 0.045 12.777 -0.720 1.00 14.21 C ATOM 1207 C SER A 74 -0.294 14.257 -0.877 1.00 23.22 C ATOM 1208 O SER A 74 -0.760 14.902 0.062 1.00 23.21 O ATOM 1209 CB SER A 74 -1.223 11.933 -0.867 1.00 53.45 C ATOM 1210 OG SER A 74 -1.755 12.038 -2.177 1.00 4.43 O ATOM 0 H SER A 74 0.312 11.705 1.063 1.00 63.22 H new ATOM 0 HA SER A 74 0.751 12.499 -1.502 1.00 14.21 H new ATOM 0 HB2 SER A 74 -0.997 10.890 -0.645 1.00 53.45 H new ATOM 0 HB3 SER A 74 -1.968 12.260 -0.141 1.00 53.45 H new ATOM 0 HG SER A 74 -2.614 12.508 -2.144 1.00 4.43 H new ATOM 1216 N ARG A 75 -0.054 14.788 -2.072 1.00 53.01 N ATOM 1217 CA ARG A 75 -0.331 16.191 -2.353 1.00 31.20 C ATOM 1218 C ARG A 75 -1.825 16.483 -2.240 1.00 50.03 C ATOM 1219 O ARG A 75 -2.230 17.478 -1.638 1.00 1.33 O ATOM 1220 CB ARG A 75 0.167 16.561 -3.751 1.00 44.53 C ATOM 1221 CG ARG A 75 -0.581 15.858 -4.871 1.00 24.12 C ATOM 1222 CD ARG A 75 -0.037 16.248 -6.236 1.00 40.14 C ATOM 1223 NE ARG A 75 -0.324 17.643 -6.561 1.00 75.30 N ATOM 1224 CZ ARG A 75 -0.246 18.142 -7.790 1.00 12.25 C ATOM 1225 NH1 ARG A 75 0.108 17.366 -8.804 1.00 24.05 N ATOM 1226 NH2 ARG A 75 -0.523 19.421 -8.005 1.00 54.34 N ATOM 0 H ARG A 75 0.331 14.268 -2.860 1.00 53.01 H new ATOM 0 HA ARG A 75 0.197 16.795 -1.615 1.00 31.20 H new ATOM 0 HB2 ARG A 75 0.076 17.639 -3.886 1.00 44.53 H new ATOM 0 HB3 ARG A 75 1.227 16.318 -3.826 1.00 44.53 H new ATOM 0 HG2 ARG A 75 -0.501 14.779 -4.741 1.00 24.12 H new ATOM 0 HG3 ARG A 75 -1.640 16.108 -4.815 1.00 24.12 H new ATOM 0 HD2 ARG A 75 1.041 16.085 -6.257 1.00 40.14 H new ATOM 0 HD3 ARG A 75 -0.472 15.601 -6.998 1.00 40.14 H new ATOM 0 HE ARG A 75 -0.599 18.268 -5.803 1.00 75.30 H new ATOM 0 HH11 ARG A 75 0.322 16.382 -8.643 1.00 24.05 H new ATOM 0 HH12 ARG A 75 0.167 17.753 -9.746 1.00 24.05 H new ATOM 0 HH21 ARG A 75 -0.796 20.022 -7.227 1.00 54.34 H new ATOM 0 HH22 ARG A 75 -0.463 19.804 -8.948 1.00 54.34 H new ATOM 1240 N PHE A 76 -2.639 15.611 -2.826 1.00 1.52 N ATOM 1241 CA PHE A 76 -4.088 15.777 -2.792 1.00 64.31 C ATOM 1242 C PHE A 76 -4.769 14.503 -2.300 1.00 0.12 C ATOM 1243 O PHE A 76 -4.382 13.396 -2.673 1.00 22.44 O ATOM 1244 CB PHE A 76 -4.611 16.145 -4.182 1.00 34.55 C ATOM 1245 CG PHE A 76 -4.655 17.625 -4.434 1.00 33.30 C ATOM 1246 CD1 PHE A 76 -3.525 18.405 -4.250 1.00 41.42 C ATOM 1247 CD2 PHE A 76 -5.826 18.235 -4.854 1.00 22.12 C ATOM 1248 CE1 PHE A 76 -3.562 19.767 -4.480 1.00 74.24 C ATOM 1249 CE2 PHE A 76 -5.869 19.597 -5.087 1.00 3.21 C ATOM 1250 CZ PHE A 76 -4.736 20.363 -4.900 1.00 40.23 C ATOM 0 H PHE A 76 -2.321 14.783 -3.330 1.00 1.52 H new ATOM 0 HA PHE A 76 -4.322 16.584 -2.098 1.00 64.31 H new ATOM 0 HB2 PHE A 76 -3.979 15.675 -4.935 1.00 34.55 H new ATOM 0 HB3 PHE A 76 -5.613 15.734 -4.305 1.00 34.55 H new ATOM 0 HD1 PHE A 76 -2.605 17.943 -3.923 1.00 41.42 H new ATOM 0 HD2 PHE A 76 -6.715 17.640 -5.001 1.00 22.12 H new ATOM 0 HE1 PHE A 76 -2.675 20.365 -4.332 1.00 74.24 H new ATOM 0 HE2 PHE A 76 -6.788 20.061 -5.415 1.00 3.21 H new ATOM 0 HZ PHE A 76 -4.767 21.427 -5.082 1.00 40.23 H new ATOM 1260 N ARG A 77 -5.785 14.670 -1.460 1.00 21.24 N ATOM 1261 CA ARG A 77 -6.520 13.535 -0.914 1.00 44.24 C ATOM 1262 C ARG A 77 -7.095 12.671 -2.033 1.00 4.43 C ATOM 1263 O ARG A 77 -7.649 13.185 -3.005 1.00 0.23 O ATOM 1264 CB ARG A 77 -7.645 14.020 0.001 1.00 3.10 C ATOM 1265 CG ARG A 77 -7.151 14.652 1.292 1.00 52.44 C ATOM 1266 CD ARG A 77 -8.179 14.522 2.405 1.00 52.32 C ATOM 1267 NE ARG A 77 -9.168 15.596 2.364 1.00 33.43 N ATOM 1268 CZ ARG A 77 -10.054 15.817 3.331 1.00 65.15 C ATOM 1269 NH1 ARG A 77 -10.071 15.043 4.406 1.00 33.34 N ATOM 1270 NH2 ARG A 77 -10.922 16.814 3.221 1.00 3.12 N ATOM 0 H ARG A 77 -6.118 15.580 -1.143 1.00 21.24 H new ATOM 0 HA ARG A 77 -5.825 12.930 -0.332 1.00 44.24 H new ATOM 0 HB2 ARG A 77 -8.254 14.745 -0.539 1.00 3.10 H new ATOM 0 HB3 ARG A 77 -8.293 13.178 0.244 1.00 3.10 H new ATOM 0 HG2 ARG A 77 -6.219 14.176 1.598 1.00 52.44 H new ATOM 0 HG3 ARG A 77 -6.929 15.705 1.121 1.00 52.44 H new ATOM 0 HD2 ARG A 77 -8.685 13.560 2.321 1.00 52.32 H new ATOM 0 HD3 ARG A 77 -7.672 14.532 3.370 1.00 52.32 H new ATOM 0 HE ARG A 77 -9.180 16.210 1.550 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -9.404 14.276 4.493 1.00 33.34 H new ATOM 0 HH12 ARG A 77 -10.751 15.214 5.147 1.00 33.34 H new ATOM 0 HH21 ARG A 77 -10.910 17.412 2.394 1.00 3.12 H new ATOM 0 HH22 ARG A 77 -11.601 16.983 3.963 1.00 3.12 H new ATOM 1284 N VAL A 78 -6.960 11.357 -1.889 1.00 23.02 N ATOM 1285 CA VAL A 78 -7.466 10.422 -2.886 1.00 71.20 C ATOM 1286 C VAL A 78 -8.278 9.308 -2.233 1.00 40.32 C ATOM 1287 O VAL A 78 -8.060 8.943 -1.078 1.00 24.05 O ATOM 1288 CB VAL A 78 -6.320 9.796 -3.702 1.00 40.24 C ATOM 1289 CG1 VAL A 78 -5.228 10.822 -3.963 1.00 24.35 C ATOM 1290 CG2 VAL A 78 -5.759 8.578 -2.985 1.00 34.41 C ATOM 0 H VAL A 78 -6.504 10.916 -1.091 1.00 23.02 H new ATOM 0 HA VAL A 78 -8.109 10.992 -3.556 1.00 71.20 H new ATOM 0 HB VAL A 78 -6.717 9.471 -4.664 1.00 40.24 H new ATOM 0 HG11 VAL A 78 -4.427 10.361 -4.541 1.00 24.35 H new ATOM 0 HG12 VAL A 78 -5.643 11.661 -4.522 1.00 24.35 H new ATOM 0 HG13 VAL A 78 -4.831 11.180 -3.013 1.00 24.35 H new ATOM 0 HG21 VAL A 78 -4.950 8.148 -3.576 1.00 34.41 H new ATOM 0 HG22 VAL A 78 -5.377 8.875 -2.008 1.00 34.41 H new ATOM 0 HG23 VAL A 78 -6.547 7.837 -2.856 1.00 34.41 H new ATOM 1300 N PRO A 79 -9.237 8.755 -2.989 1.00 22.42 N ATOM 1301 CA PRO A 79 -10.101 7.674 -2.505 1.00 64.52 C ATOM 1302 C PRO A 79 -9.344 6.361 -2.331 1.00 74.20 C ATOM 1303 O PRO A 79 -8.867 5.774 -3.303 1.00 25.25 O ATOM 1304 CB PRO A 79 -11.155 7.540 -3.607 1.00 42.12 C ATOM 1305 CG PRO A 79 -10.485 8.054 -4.835 1.00 53.53 C ATOM 1306 CD PRO A 79 -9.553 9.140 -4.374 1.00 54.12 C ATOM 0 HA PRO A 79 -10.518 7.895 -1.522 1.00 64.52 H new ATOM 0 HB2 PRO A 79 -11.469 6.504 -3.731 1.00 42.12 H new ATOM 0 HB3 PRO A 79 -12.049 8.118 -3.372 1.00 42.12 H new ATOM 0 HG2 PRO A 79 -9.938 7.260 -5.343 1.00 53.53 H new ATOM 0 HG3 PRO A 79 -11.216 8.442 -5.545 1.00 53.53 H new ATOM 0 HD2 PRO A 79 -8.656 9.189 -4.992 1.00 54.12 H new ATOM 0 HD3 PRO A 79 -10.026 10.121 -4.420 1.00 54.12 H new ATOM 1314 N LEU A 80 -9.237 5.905 -1.088 1.00 14.34 N ATOM 1315 CA LEU A 80 -8.539 4.661 -0.786 1.00 11.44 C ATOM 1316 C LEU A 80 -9.497 3.626 -0.206 1.00 24.14 C ATOM 1317 O LEU A 80 -10.663 3.921 0.057 1.00 40.24 O ATOM 1318 CB LEU A 80 -7.395 4.921 0.196 1.00 24.43 C ATOM 1319 CG LEU A 80 -7.803 5.399 1.590 1.00 45.21 C ATOM 1320 CD1 LEU A 80 -8.659 4.352 2.284 1.00 74.50 C ATOM 1321 CD2 LEU A 80 -6.571 5.721 2.425 1.00 62.24 C ATOM 0 H LEU A 80 -9.625 6.379 -0.272 1.00 14.34 H new ATOM 0 HA LEU A 80 -8.129 4.268 -1.716 1.00 11.44 H new ATOM 0 HB2 LEU A 80 -6.819 4.002 0.303 1.00 24.43 H new ATOM 0 HB3 LEU A 80 -6.730 5.665 -0.241 1.00 24.43 H new ATOM 0 HG LEU A 80 -8.394 6.309 1.483 1.00 45.21 H new ATOM 0 HD11 LEU A 80 -8.940 4.710 3.275 1.00 74.50 H new ATOM 0 HD12 LEU A 80 -9.558 4.169 1.696 1.00 74.50 H new ATOM 0 HD13 LEU A 80 -8.094 3.425 2.380 1.00 74.50 H new ATOM 0 HD21 LEU A 80 -6.880 6.060 3.414 1.00 62.24 H new ATOM 0 HD22 LEU A 80 -5.955 4.827 2.524 1.00 62.24 H new ATOM 0 HD23 LEU A 80 -5.995 6.507 1.936 1.00 62.24 H new ATOM 1333 N LEU A 81 -8.996 2.411 -0.007 1.00 2.34 N ATOM 1334 CA LEU A 81 -9.807 1.330 0.546 1.00 54.33 C ATOM 1335 C LEU A 81 -9.138 0.721 1.773 1.00 34.24 C ATOM 1336 O LEU A 81 -7.929 0.484 1.782 1.00 75.31 O ATOM 1337 CB LEU A 81 -10.040 0.251 -0.512 1.00 20.01 C ATOM 1338 CG LEU A 81 -11.352 -0.526 -0.400 1.00 74.53 C ATOM 1339 CD1 LEU A 81 -11.423 -1.265 0.926 1.00 21.44 C ATOM 1340 CD2 LEU A 81 -12.541 0.411 -0.555 1.00 20.42 C ATOM 0 H LEU A 81 -8.033 2.150 -0.220 1.00 2.34 H new ATOM 0 HA LEU A 81 -10.768 1.746 0.849 1.00 54.33 H new ATOM 0 HB2 LEU A 81 -10.001 0.720 -1.495 1.00 20.01 H new ATOM 0 HB3 LEU A 81 -9.215 -0.460 -0.465 1.00 20.01 H new ATOM 0 HG LEU A 81 -11.387 -1.261 -1.204 1.00 74.53 H new ATOM 0 HD11 LEU A 81 -12.364 -1.812 0.988 1.00 21.44 H new ATOM 0 HD12 LEU A 81 -10.591 -1.965 0.997 1.00 21.44 H new ATOM 0 HD13 LEU A 81 -11.366 -0.548 1.745 1.00 21.44 H new ATOM 0 HD21 LEU A 81 -13.467 -0.159 -0.473 1.00 20.42 H new ATOM 0 HD22 LEU A 81 -12.511 1.169 0.227 1.00 20.42 H new ATOM 0 HD23 LEU A 81 -12.498 0.895 -1.531 1.00 20.42 H new ATOM 1352 N HIS A 82 -9.933 0.467 2.808 1.00 24.22 N ATOM 1353 CA HIS A 82 -9.419 -0.119 4.041 1.00 44.52 C ATOM 1354 C HIS A 82 -10.058 -1.479 4.305 1.00 34.10 C ATOM 1355 O HIS A 82 -11.273 -1.582 4.480 1.00 1.51 O ATOM 1356 CB HIS A 82 -9.677 0.817 5.222 1.00 63.43 C ATOM 1357 CG HIS A 82 -9.417 0.186 6.555 1.00 44.01 C ATOM 1358 ND1 HIS A 82 -8.243 -0.471 6.861 1.00 53.51 N ATOM 1359 CD2 HIS A 82 -10.186 0.114 7.666 1.00 41.24 C ATOM 1360 CE1 HIS A 82 -8.302 -0.919 8.102 1.00 23.42 C ATOM 1361 NE2 HIS A 82 -9.471 -0.578 8.613 1.00 31.02 N ATOM 0 H HIS A 82 -10.935 0.658 2.817 1.00 24.22 H new ATOM 0 HA HIS A 82 -8.344 -0.259 3.926 1.00 44.52 H new ATOM 0 HB2 HIS A 82 -9.047 1.701 5.119 1.00 63.43 H new ATOM 0 HB3 HIS A 82 -10.712 1.157 5.186 1.00 63.43 H new ATOM 0 HD2 HIS A 82 -11.178 0.524 7.786 1.00 41.24 H new ATOM 0 HE1 HIS A 82 -7.526 -1.470 8.612 1.00 23.42 H new ATOM 0 HE2 HIS A 82 -9.791 -0.793 9.557 1.00 31.02 H new ATOM 1370 N CYS A 83 -9.233 -2.521 4.330 1.00 13.34 N ATOM 1371 CA CYS A 83 -9.717 -3.874 4.572 1.00 72.44 C ATOM 1372 C CYS A 83 -9.207 -4.405 5.908 1.00 34.24 C ATOM 1373 O CYS A 83 -8.095 -4.923 5.998 1.00 44.12 O ATOM 1374 CB CYS A 83 -9.278 -4.805 3.440 1.00 44.44 C ATOM 1375 SG CYS A 83 -10.188 -4.561 1.880 1.00 12.24 S ATOM 0 H CYS A 83 -8.226 -2.453 4.185 1.00 13.34 H new ATOM 0 HA CYS A 83 -10.806 -3.842 4.606 1.00 72.44 H new ATOM 0 HB2 CYS A 83 -8.214 -4.657 3.254 1.00 44.44 H new ATOM 0 HB3 CYS A 83 -9.404 -5.838 3.764 1.00 44.44 H new ATOM 1380 N ASP A 84 -10.029 -4.272 6.944 1.00 44.33 N ATOM 1381 CA ASP A 84 -9.662 -4.738 8.275 1.00 22.13 C ATOM 1382 C ASP A 84 -10.068 -6.196 8.472 1.00 61.02 C ATOM 1383 O ASP A 84 -11.247 -6.540 8.380 1.00 20.05 O ATOM 1384 CB ASP A 84 -10.319 -3.865 9.345 1.00 52.32 C ATOM 1385 CG ASP A 84 -10.394 -4.556 10.691 1.00 12.35 C ATOM 1386 OD1 ASP A 84 -9.337 -4.715 11.336 1.00 13.21 O ATOM 1387 OD2 ASP A 84 -11.511 -4.939 11.101 1.00 53.42 O ATOM 0 H ASP A 84 -10.954 -3.845 6.887 1.00 44.33 H new ATOM 0 HA ASP A 84 -8.579 -4.664 8.372 1.00 22.13 H new ATOM 0 HB2 ASP A 84 -9.757 -2.937 9.447 1.00 52.32 H new ATOM 0 HB3 ASP A 84 -11.324 -3.595 9.022 1.00 52.32 H new ATOM 1392 N LEU A 85 -9.085 -7.048 8.740 1.00 42.43 N ATOM 1393 CA LEU A 85 -9.338 -8.469 8.948 1.00 73.11 C ATOM 1394 C LEU A 85 -10.436 -8.680 9.985 1.00 15.34 C ATOM 1395 O LEU A 85 -10.269 -8.343 11.158 1.00 42.44 O ATOM 1396 CB LEU A 85 -8.058 -9.177 9.394 1.00 40.31 C ATOM 1397 CG LEU A 85 -8.182 -10.673 9.677 1.00 23.51 C ATOM 1398 CD1 LEU A 85 -8.446 -11.440 8.391 1.00 60.35 C ATOM 1399 CD2 LEU A 85 -6.925 -11.193 10.361 1.00 10.21 C ATOM 0 H LEU A 85 -8.104 -6.779 8.818 1.00 42.43 H new ATOM 0 HA LEU A 85 -9.670 -8.895 8.001 1.00 73.11 H new ATOM 0 HB2 LEU A 85 -7.301 -9.035 8.623 1.00 40.31 H new ATOM 0 HB3 LEU A 85 -7.691 -8.686 10.295 1.00 40.31 H new ATOM 0 HG LEU A 85 -9.027 -10.827 10.348 1.00 23.51 H new ATOM 0 HD11 LEU A 85 -8.531 -12.504 8.613 1.00 60.35 H new ATOM 0 HD12 LEU A 85 -9.374 -11.088 7.941 1.00 60.35 H new ATOM 0 HD13 LEU A 85 -7.622 -11.279 7.696 1.00 60.35 H new ATOM 0 HD21 LEU A 85 -7.031 -12.260 10.555 1.00 10.21 H new ATOM 0 HD22 LEU A 85 -6.063 -11.026 9.715 1.00 10.21 H new ATOM 0 HD23 LEU A 85 -6.779 -10.666 11.304 1.00 10.21 H new ATOM 1411 N ILE A 86 -11.559 -9.240 9.546 1.00 41.12 N ATOM 1412 CA ILE A 86 -12.683 -9.498 10.438 1.00 44.32 C ATOM 1413 C ILE A 86 -12.273 -10.410 11.589 1.00 50.41 C ATOM 1414 O ILE A 86 -12.842 -10.346 12.677 1.00 31.54 O ATOM 1415 CB ILE A 86 -13.862 -10.140 9.685 1.00 53.34 C ATOM 1416 CG1 ILE A 86 -14.395 -9.183 8.616 1.00 0.23 C ATOM 1417 CG2 ILE A 86 -14.967 -10.523 10.659 1.00 64.33 C ATOM 1418 CD1 ILE A 86 -15.685 -9.648 7.977 1.00 11.50 C ATOM 0 H ILE A 86 -11.714 -9.523 8.579 1.00 41.12 H new ATOM 0 HA ILE A 86 -12.998 -8.534 10.836 1.00 44.32 H new ATOM 0 HB ILE A 86 -13.509 -11.046 9.192 1.00 53.34 H new ATOM 0 HG12 ILE A 86 -14.554 -8.202 9.065 1.00 0.23 H new ATOM 0 HG13 ILE A 86 -13.639 -9.060 7.841 1.00 0.23 H new ATOM 0 HG21 ILE A 86 -15.794 -10.976 10.112 1.00 64.33 H new ATOM 0 HG22 ILE A 86 -14.580 -11.236 11.386 1.00 64.33 H new ATOM 0 HG23 ILE A 86 -15.320 -9.632 11.177 1.00 64.33 H new ATOM 0 HD11 ILE A 86 -16.004 -8.921 7.230 1.00 11.50 H new ATOM 0 HD12 ILE A 86 -15.526 -10.615 7.499 1.00 11.50 H new ATOM 0 HD13 ILE A 86 -16.456 -9.744 8.742 1.00 11.50 H new ATOM 1430 N ASN A 87 -11.279 -11.257 11.341 1.00 72.42 N ATOM 1431 CA ASN A 87 -10.791 -12.182 12.357 1.00 42.31 C ATOM 1432 C ASN A 87 -9.333 -11.894 12.700 1.00 1.23 C ATOM 1433 O ASN A 87 -8.408 -12.457 12.113 1.00 51.23 O ATOM 1434 CB ASN A 87 -10.938 -13.627 11.875 1.00 40.12 C ATOM 1435 CG ASN A 87 -10.661 -13.772 10.390 1.00 0.53 C ATOM 1436 OD1 ASN A 87 -9.512 -13.921 9.975 1.00 62.31 O ATOM 1437 ND2 ASN A 87 -11.715 -13.726 9.585 1.00 32.14 N ATOM 0 H ASN A 87 -10.796 -11.322 10.445 1.00 72.42 H new ATOM 0 HA ASN A 87 -11.391 -12.044 13.256 1.00 42.31 H new ATOM 0 HB2 ASN A 87 -10.253 -14.265 12.434 1.00 40.12 H new ATOM 0 HB3 ASN A 87 -11.947 -13.978 12.090 1.00 40.12 H new ATOM 0 HD21 ASN A 87 -11.591 -13.816 8.577 1.00 32.14 H new ATOM 0 HD22 ASN A 87 -12.649 -13.601 9.975 1.00 32.14 H new ATOM 1444 N PRO A 88 -9.120 -10.996 13.674 1.00 21.43 N ATOM 1445 CA PRO A 88 -7.777 -10.614 14.118 1.00 41.35 C ATOM 1446 C PRO A 88 -7.070 -11.739 14.866 1.00 32.02 C ATOM 1447 O PRO A 88 -7.530 -12.181 15.919 1.00 0.12 O ATOM 1448 CB PRO A 88 -8.036 -9.430 15.053 1.00 41.22 C ATOM 1449 CG PRO A 88 -9.426 -9.635 15.547 1.00 52.45 C ATOM 1450 CD PRO A 88 -10.175 -10.287 14.417 1.00 61.24 C ATOM 0 HA PRO A 88 -7.123 -10.377 13.279 1.00 41.35 H new ATOM 0 HB2 PRO A 88 -7.322 -9.412 15.876 1.00 41.22 H new ATOM 0 HB3 PRO A 88 -7.939 -8.481 14.526 1.00 41.22 H new ATOM 0 HG2 PRO A 88 -9.435 -10.265 16.436 1.00 52.45 H new ATOM 0 HG3 PRO A 88 -9.886 -8.686 15.824 1.00 52.45 H new ATOM 0 HD2 PRO A 88 -10.939 -10.973 14.784 1.00 61.24 H new ATOM 0 HD3 PRO A 88 -10.681 -9.551 13.793 1.00 61.24 H new ATOM 1458 N GLY A 89 -5.951 -12.199 14.316 1.00 11.23 N ATOM 1459 CA GLY A 89 -5.200 -13.269 14.946 1.00 11.43 C ATOM 1460 C GLY A 89 -5.361 -14.593 14.224 1.00 4.43 C ATOM 1461 O GLY A 89 -4.760 -15.594 14.612 1.00 21.21 O ATOM 0 H GLY A 89 -5.551 -11.850 13.445 1.00 11.23 H new ATOM 0 HA2 GLY A 89 -4.144 -13.000 14.974 1.00 11.43 H new ATOM 0 HA3 GLY A 89 -5.528 -13.380 15.979 1.00 11.43 H new ATOM 1465 N ALA A 90 -6.174 -14.597 13.175 1.00 73.23 N ATOM 1466 CA ALA A 90 -6.412 -15.808 12.398 1.00 70.24 C ATOM 1467 C ALA A 90 -5.210 -16.141 11.520 1.00 50.04 C ATOM 1468 O ALA A 90 -4.366 -15.285 11.258 1.00 41.23 O ATOM 1469 CB ALA A 90 -7.663 -15.651 11.546 1.00 64.43 C ATOM 0 H ALA A 90 -6.680 -13.776 12.842 1.00 73.23 H new ATOM 0 HA ALA A 90 -6.561 -16.634 13.094 1.00 70.24 H new ATOM 0 HB1 ALA A 90 -7.829 -16.562 10.971 1.00 64.43 H new ATOM 0 HB2 ALA A 90 -8.522 -15.468 12.191 1.00 64.43 H new ATOM 0 HB3 ALA A 90 -7.536 -14.810 10.864 1.00 64.43 H new ATOM 1475 N GLN A 91 -5.140 -17.389 11.069 1.00 33.11 N ATOM 1476 CA GLN A 91 -4.041 -17.835 10.222 1.00 23.34 C ATOM 1477 C GLN A 91 -4.562 -18.611 9.017 1.00 12.02 C ATOM 1478 O GLN A 91 -4.354 -19.818 8.907 1.00 61.25 O ATOM 1479 CB GLN A 91 -3.072 -18.706 11.023 1.00 1.43 C ATOM 1480 CG GLN A 91 -1.955 -17.918 11.690 1.00 44.23 C ATOM 1481 CD GLN A 91 -1.199 -18.735 12.719 1.00 2.30 C ATOM 1482 OE1 GLN A 91 -0.221 -19.409 12.397 1.00 21.40 O ATOM 1483 NE2 GLN A 91 -1.649 -18.677 13.967 1.00 14.32 N ATOM 0 H GLN A 91 -5.832 -18.109 11.276 1.00 33.11 H new ATOM 0 HA GLN A 91 -3.513 -16.952 9.862 1.00 23.34 H new ATOM 0 HB2 GLN A 91 -3.630 -19.248 11.787 1.00 1.43 H new ATOM 0 HB3 GLN A 91 -2.634 -19.452 10.360 1.00 1.43 H new ATOM 0 HG2 GLN A 91 -1.259 -17.566 10.929 1.00 44.23 H new ATOM 0 HG3 GLN A 91 -2.375 -17.035 12.171 1.00 44.23 H new ATOM 0 HE21 GLN A 91 -2.464 -18.105 14.189 1.00 14.32 H new ATOM 0 HE22 GLN A 91 -1.180 -19.204 14.703 1.00 14.32 H new ATOM 1492 N ASN A 92 -5.240 -17.908 8.116 1.00 72.50 N ATOM 1493 CA ASN A 92 -5.793 -18.532 6.919 1.00 60.23 C ATOM 1494 C ASN A 92 -6.056 -17.491 5.835 1.00 64.40 C ATOM 1495 O ASN A 92 -6.695 -16.469 6.084 1.00 33.41 O ATOM 1496 CB ASN A 92 -7.089 -19.274 7.255 1.00 52.44 C ATOM 1497 CG ASN A 92 -8.017 -18.447 8.124 1.00 31.44 C ATOM 1498 OD1 ASN A 92 -8.519 -17.406 7.701 1.00 71.30 O ATOM 1499 ND2 ASN A 92 -8.251 -18.910 9.347 1.00 45.03 N ATOM 0 H ASN A 92 -5.420 -16.907 8.192 1.00 72.50 H new ATOM 0 HA ASN A 92 -5.061 -19.247 6.542 1.00 60.23 H new ATOM 0 HB2 ASN A 92 -7.602 -19.541 6.331 1.00 52.44 H new ATOM 0 HB3 ASN A 92 -6.849 -20.206 7.767 1.00 52.44 H new ATOM 0 HD21 ASN A 92 -8.868 -18.398 9.977 1.00 45.03 H new ATOM 0 HD22 ASN A 92 -7.813 -19.778 9.656 1.00 45.03 H new ATOM 1506 N ILE A 93 -5.559 -17.758 4.632 1.00 22.33 N ATOM 1507 CA ILE A 93 -5.741 -16.846 3.510 1.00 13.02 C ATOM 1508 C ILE A 93 -6.879 -17.306 2.606 1.00 23.53 C ATOM 1509 O ILE A 93 -7.695 -16.501 2.157 1.00 5.03 O ATOM 1510 CB ILE A 93 -4.455 -16.719 2.673 1.00 44.45 C ATOM 1511 CG1 ILE A 93 -3.753 -18.073 2.567 1.00 20.20 C ATOM 1512 CG2 ILE A 93 -3.525 -15.681 3.285 1.00 21.01 C ATOM 1513 CD1 ILE A 93 -2.578 -18.073 1.613 1.00 52.22 C ATOM 0 H ILE A 93 -5.027 -18.599 4.409 1.00 22.33 H new ATOM 0 HA ILE A 93 -5.987 -15.872 3.933 1.00 13.02 H new ATOM 0 HB ILE A 93 -4.724 -16.391 1.669 1.00 44.45 H new ATOM 0 HG12 ILE A 93 -3.407 -18.372 3.556 1.00 20.20 H new ATOM 0 HG13 ILE A 93 -4.474 -18.823 2.242 1.00 20.20 H new ATOM 0 HG21 ILE A 93 -2.620 -15.603 2.682 1.00 21.01 H new ATOM 0 HG22 ILE A 93 -4.027 -14.714 3.313 1.00 21.01 H new ATOM 0 HG23 ILE A 93 -3.261 -15.982 4.299 1.00 21.01 H new ATOM 0 HD11 ILE A 93 -2.129 -19.066 1.589 1.00 52.22 H new ATOM 0 HD12 ILE A 93 -2.921 -17.805 0.614 1.00 52.22 H new ATOM 0 HD13 ILE A 93 -1.837 -17.348 1.949 1.00 52.22 H new ATOM 1525 N SER A 94 -6.929 -18.609 2.343 1.00 20.11 N ATOM 1526 CA SER A 94 -7.966 -19.178 1.491 1.00 32.13 C ATOM 1527 C SER A 94 -9.355 -18.828 2.017 1.00 5.41 C ATOM 1528 O SER A 94 -10.286 -18.609 1.244 1.00 2.42 O ATOM 1529 CB SER A 94 -7.809 -20.698 1.406 1.00 74.11 C ATOM 1530 OG SER A 94 -6.583 -21.050 0.789 1.00 21.14 O ATOM 0 H SER A 94 -6.263 -19.290 2.708 1.00 20.11 H new ATOM 0 HA SER A 94 -7.856 -18.752 0.494 1.00 32.13 H new ATOM 0 HB2 SER A 94 -7.853 -21.128 2.407 1.00 74.11 H new ATOM 0 HB3 SER A 94 -8.639 -21.122 0.841 1.00 74.11 H new ATOM 0 HG SER A 94 -6.506 -22.026 0.748 1.00 21.14 H new ATOM 1536 N ASN A 95 -9.484 -18.776 3.339 1.00 34.33 N ATOM 1537 CA ASN A 95 -10.759 -18.452 3.970 1.00 24.43 C ATOM 1538 C ASN A 95 -10.607 -17.278 4.930 1.00 52.41 C ATOM 1539 O ASN A 95 -10.975 -17.366 6.102 1.00 25.24 O ATOM 1540 CB ASN A 95 -11.304 -19.670 4.719 1.00 71.40 C ATOM 1541 CG ASN A 95 -11.706 -20.793 3.783 1.00 72.45 C ATOM 1542 OD1 ASN A 95 -12.559 -20.614 2.912 1.00 70.13 O ATOM 1543 ND2 ASN A 95 -11.093 -21.958 3.957 1.00 53.10 N ATOM 0 H ASN A 95 -8.722 -18.954 3.994 1.00 34.33 H new ATOM 0 HA ASN A 95 -11.463 -18.170 3.187 1.00 24.43 H new ATOM 0 HB2 ASN A 95 -10.547 -20.034 5.414 1.00 71.40 H new ATOM 0 HB3 ASN A 95 -12.167 -19.371 5.314 1.00 71.40 H new ATOM 0 HD21 ASN A 95 -11.323 -22.750 3.356 1.00 53.10 H new ATOM 0 HD22 ASN A 95 -10.393 -22.061 4.691 1.00 53.10 H new ATOM 1550 N CYS A 96 -10.063 -16.175 4.426 1.00 73.24 N ATOM 1551 CA CYS A 96 -9.863 -14.980 5.237 1.00 3.43 C ATOM 1552 C CYS A 96 -10.973 -13.962 4.991 1.00 40.11 C ATOM 1553 O CYS A 96 -11.414 -13.772 3.857 1.00 2.33 O ATOM 1554 CB CYS A 96 -8.502 -14.351 4.930 1.00 35.20 C ATOM 1555 SG CYS A 96 -7.737 -13.503 6.349 1.00 71.43 S ATOM 0 H CYS A 96 -9.753 -16.084 3.459 1.00 73.24 H new ATOM 0 HA CYS A 96 -9.891 -15.275 6.286 1.00 3.43 H new ATOM 0 HB2 CYS A 96 -7.825 -15.129 4.578 1.00 35.20 H new ATOM 0 HB3 CYS A 96 -8.619 -13.638 4.114 1.00 35.20 H new ATOM 1560 N ARG A 97 -11.419 -13.312 6.060 1.00 75.02 N ATOM 1561 CA ARG A 97 -12.478 -12.315 5.960 1.00 11.03 C ATOM 1562 C ARG A 97 -11.920 -10.908 6.152 1.00 40.14 C ATOM 1563 O ARG A 97 -11.367 -10.586 7.205 1.00 64.42 O ATOM 1564 CB ARG A 97 -13.566 -12.589 7.001 1.00 42.14 C ATOM 1565 CG ARG A 97 -14.604 -13.601 6.545 1.00 61.42 C ATOM 1566 CD ARG A 97 -15.585 -13.934 7.658 1.00 42.11 C ATOM 1567 NE ARG A 97 -16.463 -15.044 7.300 1.00 72.12 N ATOM 1568 CZ ARG A 97 -17.085 -15.807 8.192 1.00 2.12 C ATOM 1569 NH1 ARG A 97 -16.925 -15.580 9.489 1.00 72.01 N ATOM 1570 NH2 ARG A 97 -17.868 -16.799 7.789 1.00 24.23 N ATOM 0 H ARG A 97 -11.064 -13.457 7.005 1.00 75.02 H new ATOM 0 HA ARG A 97 -12.913 -12.383 4.963 1.00 11.03 H new ATOM 0 HB2 ARG A 97 -13.098 -12.949 7.917 1.00 42.14 H new ATOM 0 HB3 ARG A 97 -14.067 -11.652 7.246 1.00 42.14 H new ATOM 0 HG2 ARG A 97 -15.147 -13.205 5.687 1.00 61.42 H new ATOM 0 HG3 ARG A 97 -14.105 -14.512 6.214 1.00 61.42 H new ATOM 0 HD2 ARG A 97 -15.034 -14.186 8.564 1.00 42.11 H new ATOM 0 HD3 ARG A 97 -16.187 -13.054 7.886 1.00 42.11 H new ATOM 0 HE ARG A 97 -16.607 -15.245 6.310 1.00 72.12 H new ATOM 0 HH11 ARG A 97 -16.324 -14.818 9.803 1.00 72.01 H new ATOM 0 HH12 ARG A 97 -17.403 -16.167 10.172 1.00 72.01 H new ATOM 0 HH21 ARG A 97 -17.993 -16.977 6.793 1.00 24.23 H new ATOM 0 HH22 ARG A 97 -18.345 -17.384 8.476 1.00 24.23 H new ATOM 1584 N TYR A 98 -12.068 -10.074 5.129 1.00 63.44 N ATOM 1585 CA TYR A 98 -11.575 -8.703 5.182 1.00 13.42 C ATOM 1586 C TYR A 98 -12.730 -7.707 5.138 1.00 53.12 C ATOM 1587 O TYR A 98 -13.539 -7.720 4.211 1.00 35.32 O ATOM 1588 CB TYR A 98 -10.614 -8.438 4.024 1.00 40.23 C ATOM 1589 CG TYR A 98 -9.173 -8.767 4.344 1.00 53.02 C ATOM 1590 CD1 TYR A 98 -8.365 -7.857 5.014 1.00 24.32 C ATOM 1591 CD2 TYR A 98 -8.621 -9.988 3.977 1.00 71.24 C ATOM 1592 CE1 TYR A 98 -7.047 -8.154 5.309 1.00 53.33 C ATOM 1593 CE2 TYR A 98 -7.306 -10.294 4.269 1.00 41.01 C ATOM 1594 CZ TYR A 98 -6.523 -9.373 4.934 1.00 55.12 C ATOM 1595 OH TYR A 98 -5.212 -9.674 5.225 1.00 12.43 O ATOM 0 H TYR A 98 -12.526 -10.324 4.252 1.00 63.44 H new ATOM 0 HA TYR A 98 -11.042 -8.572 6.124 1.00 13.42 H new ATOM 0 HB2 TYR A 98 -10.928 -9.024 3.161 1.00 40.23 H new ATOM 0 HB3 TYR A 98 -10.683 -7.388 3.739 1.00 40.23 H new ATOM 0 HD1 TYR A 98 -8.773 -6.902 5.309 1.00 24.32 H new ATOM 0 HD2 TYR A 98 -9.231 -10.710 3.454 1.00 71.24 H new ATOM 0 HE1 TYR A 98 -6.432 -7.435 5.830 1.00 53.33 H new ATOM 0 HE2 TYR A 98 -6.893 -11.249 3.978 1.00 41.01 H new ATOM 0 HH TYR A 98 -5.065 -9.597 6.191 1.00 12.43 H new ATOM 1605 N ALA A 99 -12.799 -6.844 6.146 1.00 53.01 N ATOM 1606 CA ALA A 99 -13.853 -5.840 6.222 1.00 50.14 C ATOM 1607 C ALA A 99 -13.528 -4.637 5.342 1.00 13.40 C ATOM 1608 O ALA A 99 -12.696 -3.802 5.698 1.00 21.32 O ATOM 1609 CB ALA A 99 -14.061 -5.401 7.663 1.00 11.50 C ATOM 0 H ALA A 99 -12.137 -6.820 6.922 1.00 53.01 H new ATOM 0 HA ALA A 99 -14.776 -6.288 5.854 1.00 50.14 H new ATOM 0 HB1 ALA A 99 -14.851 -4.651 7.704 1.00 11.50 H new ATOM 0 HB2 ALA A 99 -14.346 -6.262 8.268 1.00 11.50 H new ATOM 0 HB3 ALA A 99 -13.136 -4.975 8.051 1.00 11.50 H new ATOM 1615 N ASP A 100 -14.189 -4.554 4.193 1.00 74.31 N ATOM 1616 CA ASP A 100 -13.971 -3.453 3.263 1.00 53.12 C ATOM 1617 C ASP A 100 -14.511 -2.145 3.833 1.00 74.13 C ATOM 1618 O ASP A 100 -15.574 -2.119 4.453 1.00 53.32 O ATOM 1619 CB ASP A 100 -14.638 -3.752 1.919 1.00 31.02 C ATOM 1620 CG ASP A 100 -16.116 -3.416 1.919 1.00 55.53 C ATOM 1621 OD1 ASP A 100 -16.817 -3.820 2.870 1.00 13.30 O ATOM 1622 OD2 ASP A 100 -16.573 -2.747 0.968 1.00 65.21 O ATOM 0 H ASP A 100 -14.881 -5.237 3.883 1.00 74.31 H new ATOM 0 HA ASP A 100 -12.897 -3.346 3.111 1.00 53.12 H new ATOM 0 HB2 ASP A 100 -14.139 -3.183 1.135 1.00 31.02 H new ATOM 0 HB3 ASP A 100 -14.508 -4.807 1.679 1.00 31.02 H new ATOM 1627 N ARG A 101 -13.771 -1.063 3.619 1.00 41.41 N ATOM 1628 CA ARG A 101 -14.174 0.249 4.114 1.00 60.42 C ATOM 1629 C ARG A 101 -13.657 1.356 3.201 1.00 12.21 C ATOM 1630 O ARG A 101 -12.472 1.692 3.200 1.00 34.11 O ATOM 1631 CB ARG A 101 -13.654 0.463 5.537 1.00 30.32 C ATOM 1632 CG ARG A 101 -14.542 1.363 6.380 1.00 2.41 C ATOM 1633 CD ARG A 101 -15.913 0.744 6.602 1.00 13.24 C ATOM 1634 NE ARG A 101 -16.615 1.359 7.727 1.00 64.55 N ATOM 1635 CZ ARG A 101 -17.898 1.145 7.996 1.00 4.44 C ATOM 1636 NH1 ARG A 101 -18.615 0.336 7.229 1.00 40.42 N ATOM 1637 NH2 ARG A 101 -18.465 1.741 9.038 1.00 34.24 N ATOM 0 H ARG A 101 -12.889 -1.068 3.106 1.00 41.41 H new ATOM 0 HA ARG A 101 -15.263 0.287 4.123 1.00 60.42 H new ATOM 0 HB2 ARG A 101 -13.559 -0.505 6.030 1.00 30.32 H new ATOM 0 HB3 ARG A 101 -12.654 0.895 5.489 1.00 30.32 H new ATOM 0 HG2 ARG A 101 -14.065 1.548 7.343 1.00 2.41 H new ATOM 0 HG3 ARG A 101 -14.653 2.329 5.888 1.00 2.41 H new ATOM 0 HD2 ARG A 101 -16.511 0.854 5.697 1.00 13.24 H new ATOM 0 HD3 ARG A 101 -15.803 -0.325 6.784 1.00 13.24 H new ATOM 0 HE ARG A 101 -16.092 1.986 8.338 1.00 64.55 H new ATOM 0 HH11 ARG A 101 -18.182 -0.125 6.429 1.00 40.42 H new ATOM 0 HH12 ARG A 101 -19.600 0.174 7.439 1.00 40.42 H new ATOM 0 HH21 ARG A 101 -17.915 2.363 9.631 1.00 34.24 H new ATOM 0 HH22 ARG A 101 -19.450 1.577 9.245 1.00 34.24 H new ATOM 1651 N PRO A 102 -14.566 1.939 2.404 1.00 4.14 N ATOM 1652 CA PRO A 102 -14.226 3.018 1.472 1.00 24.13 C ATOM 1653 C PRO A 102 -13.879 4.317 2.191 1.00 72.23 C ATOM 1654 O PRO A 102 -14.393 4.596 3.272 1.00 5.24 O ATOM 1655 CB PRO A 102 -15.503 3.188 0.645 1.00 72.02 C ATOM 1656 CG PRO A 102 -16.595 2.696 1.531 1.00 52.11 C ATOM 1657 CD PRO A 102 -15.995 1.589 2.353 1.00 10.01 C ATOM 0 HA PRO A 102 -13.345 2.780 0.876 1.00 24.13 H new ATOM 0 HB2 PRO A 102 -15.658 4.230 0.366 1.00 72.02 H new ATOM 0 HB3 PRO A 102 -15.455 2.614 -0.280 1.00 72.02 H new ATOM 0 HG2 PRO A 102 -16.970 3.496 2.169 1.00 52.11 H new ATOM 0 HG3 PRO A 102 -17.439 2.333 0.945 1.00 52.11 H new ATOM 0 HD2 PRO A 102 -16.434 1.545 3.350 1.00 10.01 H new ATOM 0 HD3 PRO A 102 -16.154 0.614 1.892 1.00 10.01 H new ATOM 1665 N GLY A 103 -13.003 5.110 1.580 1.00 12.41 N ATOM 1666 CA GLY A 103 -12.603 6.371 2.176 1.00 12.24 C ATOM 1667 C GLY A 103 -11.796 7.232 1.225 1.00 72.20 C ATOM 1668 O GLY A 103 -11.460 6.803 0.121 1.00 73.10 O ATOM 0 H GLY A 103 -12.564 4.901 0.683 1.00 12.41 H new ATOM 0 HA2 GLY A 103 -13.491 6.918 2.491 1.00 12.24 H new ATOM 0 HA3 GLY A 103 -12.014 6.175 3.072 1.00 12.24 H new ATOM 1672 N ARG A 104 -11.485 8.452 1.652 1.00 22.54 N ATOM 1673 CA ARG A 104 -10.715 9.377 0.830 1.00 64.23 C ATOM 1674 C ARG A 104 -9.808 10.248 1.694 1.00 60.34 C ATOM 1675 O ARG A 104 -10.279 11.138 2.402 1.00 43.23 O ATOM 1676 CB ARG A 104 -11.652 10.260 0.003 1.00 23.45 C ATOM 1677 CG ARG A 104 -10.929 11.141 -1.002 1.00 73.31 C ATOM 1678 CD ARG A 104 -11.723 12.402 -1.308 1.00 41.13 C ATOM 1679 NE ARG A 104 -10.942 13.364 -2.082 1.00 11.21 N ATOM 1680 CZ ARG A 104 -10.778 13.289 -3.398 1.00 2.34 C ATOM 1681 NH1 ARG A 104 -11.337 12.301 -4.084 1.00 44.31 N ATOM 1682 NH2 ARG A 104 -10.054 14.204 -4.030 1.00 64.52 N ATOM 0 H ARG A 104 -11.755 8.822 2.563 1.00 22.54 H new ATOM 0 HA ARG A 104 -10.091 8.790 0.156 1.00 64.23 H new ATOM 0 HB2 ARG A 104 -12.362 9.625 -0.527 1.00 23.45 H new ATOM 0 HB3 ARG A 104 -12.231 10.892 0.677 1.00 23.45 H new ATOM 0 HG2 ARG A 104 -9.949 11.413 -0.611 1.00 73.31 H new ATOM 0 HG3 ARG A 104 -10.761 10.583 -1.923 1.00 73.31 H new ATOM 0 HD2 ARG A 104 -12.625 12.138 -1.861 1.00 41.13 H new ATOM 0 HD3 ARG A 104 -12.045 12.863 -0.375 1.00 41.13 H new ATOM 0 HE ARG A 104 -10.498 14.136 -1.584 1.00 11.21 H new ATOM 0 HH11 ARG A 104 -11.894 11.596 -3.601 1.00 44.31 H new ATOM 0 HH12 ARG A 104 -11.209 12.246 -5.094 1.00 44.31 H new ATOM 0 HH21 ARG A 104 -9.623 14.965 -3.505 1.00 64.52 H new ATOM 0 HH22 ARG A 104 -9.928 14.146 -5.041 1.00 64.52 H new ATOM 1696 N ARG A 105 -8.507 9.984 1.631 1.00 62.31 N ATOM 1697 CA ARG A 105 -7.535 10.743 2.408 1.00 33.44 C ATOM 1698 C ARG A 105 -6.121 10.516 1.882 1.00 75.41 C ATOM 1699 O ARG A 105 -5.879 9.595 1.102 1.00 4.32 O ATOM 1700 CB ARG A 105 -7.610 10.347 3.884 1.00 72.51 C ATOM 1701 CG ARG A 105 -8.419 11.315 4.733 1.00 33.55 C ATOM 1702 CD ARG A 105 -9.146 10.594 5.858 1.00 33.12 C ATOM 1703 NE ARG A 105 -9.315 11.444 7.034 1.00 71.44 N ATOM 1704 CZ ARG A 105 -9.476 10.972 8.264 1.00 2.24 C ATOM 1705 NH1 ARG A 105 -9.491 9.663 8.480 1.00 71.02 N ATOM 1706 NH2 ARG A 105 -9.622 11.808 9.283 1.00 15.35 N ATOM 0 H ARG A 105 -8.102 9.250 1.050 1.00 62.31 H new ATOM 0 HA ARG A 105 -7.776 11.802 2.309 1.00 33.44 H new ATOM 0 HB2 ARG A 105 -8.049 9.353 3.963 1.00 72.51 H new ATOM 0 HB3 ARG A 105 -6.599 10.282 4.286 1.00 72.51 H new ATOM 0 HG2 ARG A 105 -7.758 12.073 5.152 1.00 33.55 H new ATOM 0 HG3 ARG A 105 -9.142 11.835 4.105 1.00 33.55 H new ATOM 0 HD2 ARG A 105 -10.123 10.265 5.505 1.00 33.12 H new ATOM 0 HD3 ARG A 105 -8.589 9.699 6.135 1.00 33.12 H new ATOM 0 HE ARG A 105 -9.309 12.455 6.903 1.00 71.44 H new ATOM 0 HH11 ARG A 105 -9.379 9.016 7.700 1.00 71.02 H new ATOM 0 HH12 ARG A 105 -9.615 9.304 9.427 1.00 71.02 H new ATOM 0 HH21 ARG A 105 -9.611 12.815 9.122 1.00 15.35 H new ATOM 0 HH22 ARG A 105 -9.746 11.444 10.228 1.00 15.35 H new ATOM 1720 N PHE A 106 -5.192 11.363 2.312 1.00 41.40 N ATOM 1721 CA PHE A 106 -3.802 11.256 1.883 1.00 75.22 C ATOM 1722 C PHE A 106 -3.199 9.925 2.319 1.00 1.42 C ATOM 1723 O PHE A 106 -3.892 9.066 2.865 1.00 3.24 O ATOM 1724 CB PHE A 106 -2.980 12.414 2.453 1.00 71.15 C ATOM 1725 CG PHE A 106 -3.619 13.759 2.254 1.00 70.33 C ATOM 1726 CD1 PHE A 106 -3.407 14.475 1.087 1.00 24.11 C ATOM 1727 CD2 PHE A 106 -4.431 14.306 3.234 1.00 75.42 C ATOM 1728 CE1 PHE A 106 -3.994 15.713 0.900 1.00 72.32 C ATOM 1729 CE2 PHE A 106 -5.021 15.543 3.052 1.00 35.33 C ATOM 1730 CZ PHE A 106 -4.801 16.247 1.885 1.00 52.11 C ATOM 0 H PHE A 106 -5.376 12.131 2.957 1.00 41.40 H new ATOM 0 HA PHE A 106 -3.779 11.305 0.794 1.00 75.22 H new ATOM 0 HB2 PHE A 106 -2.825 12.249 3.519 1.00 71.15 H new ATOM 0 HB3 PHE A 106 -1.996 12.415 1.984 1.00 71.15 H new ATOM 0 HD1 PHE A 106 -2.776 14.061 0.314 1.00 24.11 H new ATOM 0 HD2 PHE A 106 -4.605 13.760 4.150 1.00 75.42 H new ATOM 0 HE1 PHE A 106 -3.822 16.261 -0.015 1.00 72.32 H new ATOM 0 HE2 PHE A 106 -5.654 15.958 3.822 1.00 35.33 H new ATOM 0 HZ PHE A 106 -5.260 17.214 1.743 1.00 52.11 H new ATOM 1740 N TYR A 107 -1.904 9.761 2.075 1.00 2.04 N ATOM 1741 CA TYR A 107 -1.207 8.534 2.441 1.00 63.02 C ATOM 1742 C TYR A 107 0.286 8.790 2.627 1.00 0.23 C ATOM 1743 O TYR A 107 0.924 9.442 1.800 1.00 4.24 O ATOM 1744 CB TYR A 107 -1.421 7.463 1.370 1.00 23.05 C ATOM 1745 CG TYR A 107 -1.127 7.942 -0.033 1.00 75.44 C ATOM 1746 CD1 TYR A 107 0.180 8.127 -0.466 1.00 24.53 C ATOM 1747 CD2 TYR A 107 -2.156 8.211 -0.927 1.00 35.34 C ATOM 1748 CE1 TYR A 107 0.454 8.565 -1.747 1.00 1.21 C ATOM 1749 CE2 TYR A 107 -1.893 8.648 -2.210 1.00 51.42 C ATOM 1750 CZ TYR A 107 -0.586 8.823 -2.615 1.00 54.21 C ATOM 1751 OH TYR A 107 -0.319 9.261 -3.892 1.00 60.23 O ATOM 0 H TYR A 107 -1.316 10.462 1.625 1.00 2.04 H new ATOM 0 HA TYR A 107 -1.618 8.181 3.387 1.00 63.02 H new ATOM 0 HB2 TYR A 107 -0.785 6.606 1.593 1.00 23.05 H new ATOM 0 HB3 TYR A 107 -2.453 7.115 1.417 1.00 23.05 H new ATOM 0 HD1 TYR A 107 0.997 7.925 0.211 1.00 24.53 H new ATOM 0 HD2 TYR A 107 -3.180 8.076 -0.613 1.00 35.34 H new ATOM 0 HE1 TYR A 107 1.476 8.705 -2.067 1.00 1.21 H new ATOM 0 HE2 TYR A 107 -2.705 8.851 -2.892 1.00 51.42 H new ATOM 0 HH TYR A 107 -1.161 9.395 -4.375 1.00 60.23 H new ATOM 1761 N VAL A 108 0.837 8.272 3.721 1.00 22.30 N ATOM 1762 CA VAL A 108 2.254 8.442 4.017 1.00 44.33 C ATOM 1763 C VAL A 108 3.053 7.210 3.608 1.00 22.35 C ATOM 1764 O VAL A 108 3.016 6.180 4.283 1.00 12.31 O ATOM 1765 CB VAL A 108 2.485 8.716 5.515 1.00 50.23 C ATOM 1766 CG1 VAL A 108 3.972 8.714 5.835 1.00 4.05 C ATOM 1767 CG2 VAL A 108 1.847 10.038 5.919 1.00 25.11 C ATOM 0 H VAL A 108 0.323 7.731 4.416 1.00 22.30 H new ATOM 0 HA VAL A 108 2.597 9.301 3.441 1.00 44.33 H new ATOM 0 HB VAL A 108 2.013 7.919 6.089 1.00 50.23 H new ATOM 0 HG11 VAL A 108 4.116 8.909 6.898 1.00 4.05 H new ATOM 0 HG12 VAL A 108 4.397 7.742 5.584 1.00 4.05 H new ATOM 0 HG13 VAL A 108 4.470 9.489 5.253 1.00 4.05 H new ATOM 0 HG21 VAL A 108 2.020 10.216 6.980 1.00 25.11 H new ATOM 0 HG22 VAL A 108 2.289 10.848 5.339 1.00 25.11 H new ATOM 0 HG23 VAL A 108 0.775 9.998 5.728 1.00 25.11 H new ATOM 1777 N VAL A 109 3.776 7.320 2.499 1.00 14.02 N ATOM 1778 CA VAL A 109 4.586 6.215 2.000 1.00 14.12 C ATOM 1779 C VAL A 109 6.053 6.615 1.890 1.00 74.42 C ATOM 1780 O VAL A 109 6.374 7.730 1.483 1.00 54.35 O ATOM 1781 CB VAL A 109 4.091 5.733 0.623 1.00 13.31 C ATOM 1782 CG1 VAL A 109 2.576 5.837 0.534 1.00 64.41 C ATOM 1783 CG2 VAL A 109 4.754 6.531 -0.490 1.00 5.34 C ATOM 0 H VAL A 109 3.818 8.164 1.928 1.00 14.02 H new ATOM 0 HA VAL A 109 4.488 5.401 2.718 1.00 14.12 H new ATOM 0 HB VAL A 109 4.367 4.685 0.503 1.00 13.31 H new ATOM 0 HG11 VAL A 109 2.245 5.492 -0.445 1.00 64.41 H new ATOM 0 HG12 VAL A 109 2.123 5.219 1.309 1.00 64.41 H new ATOM 0 HG13 VAL A 109 2.274 6.875 0.675 1.00 64.41 H new ATOM 0 HG21 VAL A 109 4.393 6.178 -1.456 1.00 5.34 H new ATOM 0 HG22 VAL A 109 4.510 7.587 -0.376 1.00 5.34 H new ATOM 0 HG23 VAL A 109 5.835 6.401 -0.437 1.00 5.34 H new ATOM 1793 N ALA A 110 6.940 5.696 2.256 1.00 35.41 N ATOM 1794 CA ALA A 110 8.374 5.951 2.195 1.00 31.42 C ATOM 1795 C ALA A 110 8.948 5.541 0.844 1.00 35.10 C ATOM 1796 O ALA A 110 8.815 4.392 0.424 1.00 73.23 O ATOM 1797 CB ALA A 110 9.088 5.216 3.319 1.00 4.13 C ATOM 0 H ALA A 110 6.691 4.768 2.598 1.00 35.41 H new ATOM 0 HA ALA A 110 8.533 7.022 2.317 1.00 31.42 H new ATOM 0 HB1 ALA A 110 10.158 5.415 3.262 1.00 4.13 H new ATOM 0 HB2 ALA A 110 8.706 5.561 4.280 1.00 4.13 H new ATOM 0 HB3 ALA A 110 8.913 4.145 3.222 1.00 4.13 H new ATOM 1803 N CYS A 111 9.586 6.490 0.165 1.00 23.14 N ATOM 1804 CA CYS A 111 10.181 6.228 -1.140 1.00 15.31 C ATOM 1805 C CYS A 111 11.622 5.750 -0.995 1.00 62.11 C ATOM 1806 O CYS A 111 12.310 6.097 -0.035 1.00 13.32 O ATOM 1807 CB CYS A 111 10.134 7.488 -2.006 1.00 13.33 C ATOM 1808 SG CYS A 111 8.688 8.551 -1.695 1.00 75.43 S ATOM 0 H CYS A 111 9.704 7.447 0.498 1.00 23.14 H new ATOM 0 HA CYS A 111 9.603 5.440 -1.624 1.00 15.31 H new ATOM 0 HB2 CYS A 111 11.041 8.068 -1.835 1.00 13.33 H new ATOM 0 HB3 CYS A 111 10.137 7.195 -3.056 1.00 13.33 H new ATOM 1813 N ASP A 112 12.073 4.950 -1.956 1.00 10.33 N ATOM 1814 CA ASP A 112 13.433 4.425 -1.937 1.00 22.31 C ATOM 1815 C ASP A 112 13.992 4.313 -3.353 1.00 1.23 C ATOM 1816 O ASP A 112 13.249 4.380 -4.331 1.00 0.21 O ATOM 1817 CB ASP A 112 13.466 3.057 -1.254 1.00 33.34 C ATOM 1818 CG ASP A 112 14.855 2.677 -0.783 1.00 51.32 C ATOM 1819 OD1 ASP A 112 15.652 3.592 -0.488 1.00 0.45 O ATOM 1820 OD2 ASP A 112 15.147 1.465 -0.711 1.00 62.32 O ATOM 0 H ASP A 112 11.517 4.651 -2.757 1.00 10.33 H new ATOM 0 HA ASP A 112 14.056 5.119 -1.373 1.00 22.31 H new ATOM 0 HB2 ASP A 112 12.786 3.063 -0.402 1.00 33.34 H new ATOM 0 HB3 ASP A 112 13.101 2.299 -1.947 1.00 33.34 H new ATOM 1825 N ASN A 113 15.307 4.142 -3.452 1.00 74.52 N ATOM 1826 CA ASN A 113 15.965 4.022 -4.748 1.00 62.11 C ATOM 1827 C ASN A 113 15.440 2.814 -5.516 1.00 20.41 C ATOM 1828 O ASN A 113 15.342 1.713 -4.971 1.00 0.41 O ATOM 1829 CB ASN A 113 17.479 3.906 -4.565 1.00 2.12 C ATOM 1830 CG ASN A 113 18.148 5.257 -4.401 1.00 32.33 C ATOM 1831 OD1 ASN A 113 18.224 5.794 -3.295 1.00 63.31 O ATOM 1832 ND2 ASN A 113 18.636 5.813 -5.503 1.00 55.05 N ATOM 0 H ASN A 113 15.937 4.084 -2.652 1.00 74.52 H new ATOM 0 HA ASN A 113 15.743 4.920 -5.325 1.00 62.11 H new ATOM 0 HB2 ASN A 113 17.690 3.291 -3.690 1.00 2.12 H new ATOM 0 HB3 ASN A 113 17.908 3.394 -5.426 1.00 2.12 H new ATOM 0 HD21 ASN A 113 19.097 6.722 -5.455 1.00 55.05 H new ATOM 0 HD22 ASN A 113 18.550 5.332 -6.398 1.00 55.05 H new ATOM 1839 N ARG A 114 15.104 3.025 -6.784 1.00 73.31 N ATOM 1840 CA ARG A 114 14.588 1.952 -7.627 1.00 14.42 C ATOM 1841 C ARG A 114 15.719 1.272 -8.394 1.00 32.43 C ATOM 1842 O ARG A 114 16.874 1.688 -8.313 1.00 61.21 O ATOM 1843 CB ARG A 114 13.550 2.500 -8.608 1.00 41.44 C ATOM 1844 CG ARG A 114 12.115 2.203 -8.206 1.00 65.11 C ATOM 1845 CD ARG A 114 11.821 0.712 -8.254 1.00 73.32 C ATOM 1846 NE ARG A 114 12.235 0.032 -7.030 1.00 12.25 N ATOM 1847 CZ ARG A 114 12.555 -1.256 -6.976 1.00 15.43 C ATOM 1848 NH1 ARG A 114 12.510 -2.000 -8.072 1.00 51.32 N ATOM 1849 NH2 ARG A 114 12.922 -1.802 -5.823 1.00 1.01 N ATOM 0 H ARG A 114 15.180 3.929 -7.251 1.00 73.31 H new ATOM 0 HA ARG A 114 14.113 1.213 -6.982 1.00 14.42 H new ATOM 0 HB2 ARG A 114 13.678 3.579 -8.694 1.00 41.44 H new ATOM 0 HB3 ARG A 114 13.737 2.077 -9.595 1.00 41.44 H new ATOM 0 HG2 ARG A 114 11.933 2.579 -7.199 1.00 65.11 H new ATOM 0 HG3 ARG A 114 11.433 2.731 -8.872 1.00 65.11 H new ATOM 0 HD2 ARG A 114 10.753 0.558 -8.411 1.00 73.32 H new ATOM 0 HD3 ARG A 114 12.335 0.269 -9.107 1.00 73.32 H new ATOM 0 HE ARG A 114 12.281 0.576 -6.169 1.00 12.25 H new ATOM 0 HH11 ARG A 114 12.229 -1.584 -8.960 1.00 51.32 H new ATOM 0 HH12 ARG A 114 12.756 -2.989 -8.028 1.00 51.32 H new ATOM 0 HH21 ARG A 114 12.958 -1.232 -4.978 1.00 1.01 H new ATOM 0 HH22 ARG A 114 13.168 -2.791 -5.782 1.00 1.01 H new ATOM 1863 N ASP A 115 15.376 0.224 -9.135 1.00 54.21 N ATOM 1864 CA ASP A 115 16.361 -0.514 -9.916 1.00 45.53 C ATOM 1865 C ASP A 115 16.062 -0.409 -11.408 1.00 53.33 C ATOM 1866 O ASP A 115 14.907 -0.396 -11.835 1.00 62.23 O ATOM 1867 CB ASP A 115 16.385 -1.982 -9.491 1.00 64.42 C ATOM 1868 CG ASP A 115 17.785 -2.564 -9.495 1.00 2.03 C ATOM 1869 OD1 ASP A 115 18.717 -1.870 -9.038 1.00 61.21 O ATOM 1870 OD2 ASP A 115 17.949 -3.714 -9.955 1.00 14.12 O ATOM 0 H ASP A 115 14.424 -0.133 -9.211 1.00 54.21 H new ATOM 0 HA ASP A 115 17.340 -0.073 -9.728 1.00 45.53 H new ATOM 0 HB2 ASP A 115 15.959 -2.075 -8.492 1.00 64.42 H new ATOM 0 HB3 ASP A 115 15.752 -2.562 -10.163 1.00 64.42 H new ATOM 1875 N PRO A 116 17.125 -0.330 -12.222 1.00 52.20 N ATOM 1876 CA PRO A 116 17.000 -0.223 -13.679 1.00 43.23 C ATOM 1877 C PRO A 116 16.489 -1.512 -14.313 1.00 0.24 C ATOM 1878 O PRO A 116 16.508 -1.664 -15.534 1.00 64.11 O ATOM 1879 CB PRO A 116 18.433 0.066 -14.137 1.00 32.14 C ATOM 1880 CG PRO A 116 19.296 -0.507 -13.066 1.00 31.42 C ATOM 1881 CD PRO A 116 18.531 -0.339 -11.783 1.00 12.03 C ATOM 0 HA PRO A 116 16.281 0.542 -13.971 1.00 43.23 H new ATOM 0 HB2 PRO A 116 18.641 -0.396 -15.102 1.00 32.14 H new ATOM 0 HB3 PRO A 116 18.603 1.136 -14.252 1.00 32.14 H new ATOM 0 HG2 PRO A 116 19.510 -1.558 -13.258 1.00 31.42 H new ATOM 0 HG3 PRO A 116 20.255 0.010 -13.019 1.00 31.42 H new ATOM 0 HD2 PRO A 116 18.729 -1.154 -11.087 1.00 12.03 H new ATOM 0 HD3 PRO A 116 18.799 0.587 -11.274 1.00 12.03 H new ATOM 1889 N ARG A 117 16.030 -2.436 -13.475 1.00 2.21 N ATOM 1890 CA ARG A 117 15.513 -3.712 -13.954 1.00 64.31 C ATOM 1891 C ARG A 117 14.003 -3.796 -13.758 1.00 34.10 C ATOM 1892 O ARG A 117 13.313 -4.525 -14.469 1.00 62.25 O ATOM 1893 CB ARG A 117 16.197 -4.871 -13.225 1.00 51.03 C ATOM 1894 CG ARG A 117 15.693 -5.080 -11.807 1.00 15.01 C ATOM 1895 CD ARG A 117 15.788 -6.540 -11.391 1.00 60.33 C ATOM 1896 NE ARG A 117 15.820 -6.696 -9.940 1.00 73.25 N ATOM 1897 CZ ARG A 117 15.935 -7.869 -9.329 1.00 34.21 C ATOM 1898 NH1 ARG A 117 16.029 -8.984 -10.040 1.00 21.24 N ATOM 1899 NH2 ARG A 117 15.955 -7.929 -8.003 1.00 62.04 N ATOM 0 H ARG A 117 16.006 -2.325 -12.461 1.00 2.21 H new ATOM 0 HA ARG A 117 15.728 -3.784 -15.020 1.00 64.31 H new ATOM 0 HB2 ARG A 117 16.045 -5.788 -13.795 1.00 51.03 H new ATOM 0 HB3 ARG A 117 17.271 -4.688 -13.197 1.00 51.03 H new ATOM 0 HG2 ARG A 117 16.274 -4.466 -11.119 1.00 15.01 H new ATOM 0 HG3 ARG A 117 14.658 -4.747 -11.735 1.00 15.01 H new ATOM 0 HD2 ARG A 117 14.937 -7.088 -11.795 1.00 60.33 H new ATOM 0 HD3 ARG A 117 16.686 -6.982 -11.823 1.00 60.33 H new ATOM 0 HE ARG A 117 15.750 -5.857 -9.364 1.00 73.25 H new ATOM 0 HH11 ARG A 117 16.013 -8.942 -11.059 1.00 21.24 H new ATOM 0 HH12 ARG A 117 16.117 -9.884 -9.568 1.00 21.24 H new ATOM 0 HH21 ARG A 117 15.882 -7.073 -7.453 1.00 62.04 H new ATOM 0 HH22 ARG A 117 16.043 -8.831 -7.535 1.00 62.04 H new ATOM 1913 N ASP A 118 13.495 -3.043 -12.788 1.00 3.24 N ATOM 1914 CA ASP A 118 12.066 -3.031 -12.497 1.00 10.32 C ATOM 1915 C ASP A 118 11.466 -1.657 -12.779 1.00 5.32 C ATOM 1916 O ASP A 118 10.436 -1.542 -13.442 1.00 65.51 O ATOM 1917 CB ASP A 118 11.817 -3.421 -11.040 1.00 23.14 C ATOM 1918 CG ASP A 118 11.633 -4.915 -10.863 1.00 73.53 C ATOM 1919 OD1 ASP A 118 12.645 -5.617 -10.655 1.00 73.20 O ATOM 1920 OD2 ASP A 118 10.476 -5.384 -10.934 1.00 43.50 O ATOM 0 H ASP A 118 14.052 -2.433 -12.190 1.00 3.24 H new ATOM 0 HA ASP A 118 11.582 -3.760 -13.147 1.00 10.32 H new ATOM 0 HB2 ASP A 118 12.656 -3.086 -10.429 1.00 23.14 H new ATOM 0 HB3 ASP A 118 10.930 -2.903 -10.675 1.00 23.14 H new ATOM 1925 N SER A 119 12.117 -0.617 -12.269 1.00 11.50 N ATOM 1926 CA SER A 119 11.646 0.750 -12.461 1.00 60.30 C ATOM 1927 C SER A 119 12.718 1.606 -13.128 1.00 75.51 C ATOM 1928 O SER A 119 13.297 2.505 -12.520 1.00 44.21 O ATOM 1929 CB SER A 119 11.246 1.367 -11.119 1.00 41.11 C ATOM 1930 OG SER A 119 10.218 2.329 -11.287 1.00 3.20 O ATOM 0 H SER A 119 12.973 -0.695 -11.719 1.00 11.50 H new ATOM 0 HA SER A 119 10.773 0.719 -13.113 1.00 60.30 H new ATOM 0 HB2 SER A 119 10.908 0.583 -10.441 1.00 41.11 H new ATOM 0 HB3 SER A 119 12.115 1.835 -10.657 1.00 41.11 H new ATOM 0 HG SER A 119 9.741 2.449 -10.440 1.00 3.20 H new ATOM 1936 N PRO A 120 12.987 1.320 -14.411 1.00 44.44 N ATOM 1937 CA PRO A 120 13.991 2.052 -15.191 1.00 32.20 C ATOM 1938 C PRO A 120 13.556 3.480 -15.498 1.00 4.20 C ATOM 1939 O PRO A 120 14.370 4.315 -15.892 1.00 10.21 O ATOM 1940 CB PRO A 120 14.100 1.236 -16.481 1.00 53.24 C ATOM 1941 CG PRO A 120 12.787 0.543 -16.604 1.00 64.13 C ATOM 1942 CD PRO A 120 12.334 0.261 -15.198 1.00 65.23 C ATOM 0 HA PRO A 120 14.934 2.152 -14.653 1.00 32.20 H new ATOM 0 HB2 PRO A 120 14.290 1.878 -17.341 1.00 53.24 H new ATOM 0 HB3 PRO A 120 14.921 0.521 -16.429 1.00 53.24 H new ATOM 0 HG2 PRO A 120 12.064 1.167 -17.129 1.00 64.13 H new ATOM 0 HG3 PRO A 120 12.885 -0.380 -17.175 1.00 64.13 H new ATOM 0 HD2 PRO A 120 11.249 0.305 -15.109 1.00 65.23 H new ATOM 0 HD3 PRO A 120 12.641 -0.732 -14.868 1.00 65.23 H new ATOM 1950 N ARG A 121 12.269 3.755 -15.316 1.00 51.21 N ATOM 1951 CA ARG A 121 11.726 5.083 -15.575 1.00 22.11 C ATOM 1952 C ARG A 121 11.649 5.900 -14.288 1.00 32.51 C ATOM 1953 O ARG A 121 12.206 6.994 -14.200 1.00 64.10 O ATOM 1954 CB ARG A 121 10.338 4.976 -16.208 1.00 63.30 C ATOM 1955 CG ARG A 121 9.327 4.246 -15.339 1.00 5.22 C ATOM 1956 CD ARG A 121 8.183 3.683 -16.167 1.00 71.05 C ATOM 1957 NE ARG A 121 8.661 2.994 -17.364 1.00 13.24 N ATOM 1958 CZ ARG A 121 7.925 2.820 -18.456 1.00 13.33 C ATOM 1959 NH1 ARG A 121 6.684 3.285 -18.503 1.00 34.21 N ATOM 1960 NH2 ARG A 121 8.430 2.182 -19.503 1.00 43.13 N ATOM 0 H ARG A 121 11.582 3.075 -14.990 1.00 51.21 H new ATOM 0 HA ARG A 121 12.395 5.592 -16.269 1.00 22.11 H new ATOM 0 HB2 ARG A 121 9.966 5.979 -16.419 1.00 63.30 H new ATOM 0 HB3 ARG A 121 10.423 4.459 -17.164 1.00 63.30 H new ATOM 0 HG2 ARG A 121 9.823 3.436 -14.804 1.00 5.22 H new ATOM 0 HG3 ARG A 121 8.931 4.929 -14.587 1.00 5.22 H new ATOM 0 HD2 ARG A 121 7.601 2.991 -15.558 1.00 71.05 H new ATOM 0 HD3 ARG A 121 7.513 4.492 -16.458 1.00 71.05 H new ATOM 0 HE ARG A 121 9.612 2.626 -17.361 1.00 13.24 H new ATOM 0 HH11 ARG A 121 6.293 3.777 -17.700 1.00 34.21 H new ATOM 0 HH12 ARG A 121 6.120 3.150 -19.342 1.00 34.21 H new ATOM 0 HH21 ARG A 121 9.385 1.824 -19.470 1.00 43.13 H new ATOM 0 HH22 ARG A 121 7.864 2.049 -20.341 1.00 43.13 H new ATOM 1974 N TYR A 122 10.953 5.360 -13.293 1.00 4.34 N ATOM 1975 CA TYR A 122 10.800 6.039 -12.011 1.00 64.54 C ATOM 1976 C TYR A 122 12.058 5.890 -11.162 1.00 11.20 C ATOM 1977 O TYR A 122 12.560 4.789 -10.937 1.00 20.14 O ATOM 1978 CB TYR A 122 9.592 5.481 -11.257 1.00 10.20 C ATOM 1979 CG TYR A 122 8.348 5.365 -12.107 1.00 33.14 C ATOM 1980 CD1 TYR A 122 7.561 6.477 -12.378 1.00 42.25 C ATOM 1981 CD2 TYR A 122 7.958 4.142 -12.640 1.00 4.43 C ATOM 1982 CE1 TYR A 122 6.422 6.375 -13.153 1.00 40.32 C ATOM 1983 CE2 TYR A 122 6.823 4.031 -13.418 1.00 33.52 C ATOM 1984 CZ TYR A 122 6.058 5.151 -13.671 1.00 30.52 C ATOM 1985 OH TYR A 122 4.925 5.044 -14.446 1.00 15.10 O ATOM 0 H TYR A 122 10.486 4.455 -13.349 1.00 4.34 H new ATOM 0 HA TYR A 122 10.640 7.099 -12.206 1.00 64.54 H new ATOM 0 HB2 TYR A 122 9.844 4.497 -10.861 1.00 10.20 H new ATOM 0 HB3 TYR A 122 9.379 6.123 -10.403 1.00 10.20 H new ATOM 0 HD1 TYR A 122 7.845 7.438 -11.976 1.00 42.25 H new ATOM 0 HD2 TYR A 122 8.553 3.263 -12.442 1.00 4.43 H new ATOM 0 HE1 TYR A 122 5.820 7.250 -13.352 1.00 40.32 H new ATOM 0 HE2 TYR A 122 6.536 3.073 -13.826 1.00 33.52 H new ATOM 0 HH TYR A 122 4.812 4.114 -14.733 1.00 15.10 H new ATOM 1995 N PRO A 123 12.582 7.026 -10.677 1.00 72.24 N ATOM 1996 CA PRO A 123 13.788 7.050 -9.844 1.00 33.41 C ATOM 1997 C PRO A 123 13.547 6.456 -8.460 1.00 73.43 C ATOM 1998 O PRO A 123 14.284 5.576 -8.015 1.00 21.34 O ATOM 1999 CB PRO A 123 14.115 8.542 -9.736 1.00 73.41 C ATOM 2000 CG PRO A 123 12.810 9.231 -9.942 1.00 54.54 C ATOM 2001 CD PRO A 123 12.037 8.375 -10.907 1.00 1.34 C ATOM 0 HA PRO A 123 14.593 6.454 -10.274 1.00 33.41 H new ATOM 0 HB2 PRO A 123 14.542 8.784 -8.763 1.00 73.41 H new ATOM 0 HB3 PRO A 123 14.845 8.843 -10.488 1.00 73.41 H new ATOM 0 HG2 PRO A 123 12.273 9.339 -9.000 1.00 54.54 H new ATOM 0 HG3 PRO A 123 12.957 10.234 -10.342 1.00 54.54 H new ATOM 0 HD2 PRO A 123 10.966 8.415 -10.710 1.00 1.34 H new ATOM 0 HD3 PRO A 123 12.184 8.698 -11.938 1.00 1.34 H new ATOM 2009 N VAL A 124 12.511 6.942 -7.785 1.00 15.22 N ATOM 2010 CA VAL A 124 12.172 6.458 -6.451 1.00 62.44 C ATOM 2011 C VAL A 124 10.798 5.799 -6.439 1.00 12.22 C ATOM 2012 O VAL A 124 9.976 6.035 -7.324 1.00 53.21 O ATOM 2013 CB VAL A 124 12.193 7.599 -5.418 1.00 0.14 C ATOM 2014 CG1 VAL A 124 10.844 8.299 -5.369 1.00 55.21 C ATOM 2015 CG2 VAL A 124 12.576 7.067 -4.045 1.00 51.45 C ATOM 0 H VAL A 124 11.891 7.671 -8.139 1.00 15.22 H new ATOM 0 HA VAL A 124 12.927 5.720 -6.180 1.00 62.44 H new ATOM 0 HB VAL A 124 12.944 8.328 -5.723 1.00 0.14 H new ATOM 0 HG11 VAL A 124 10.878 9.103 -4.633 1.00 55.21 H new ATOM 0 HG12 VAL A 124 10.614 8.715 -6.350 1.00 55.21 H new ATOM 0 HG13 VAL A 124 10.072 7.582 -5.088 1.00 55.21 H new ATOM 0 HG21 VAL A 124 12.586 7.887 -3.327 1.00 51.45 H new ATOM 0 HG22 VAL A 124 11.850 6.317 -3.730 1.00 51.45 H new ATOM 0 HG23 VAL A 124 13.567 6.615 -4.093 1.00 51.45 H new ATOM 2025 N VAL A 125 10.553 4.972 -5.427 1.00 44.03 N ATOM 2026 CA VAL A 125 9.276 4.279 -5.298 1.00 0.42 C ATOM 2027 C VAL A 125 8.976 3.950 -3.840 1.00 23.34 C ATOM 2028 O VAL A 125 9.876 3.794 -3.014 1.00 43.21 O ATOM 2029 CB VAL A 125 9.258 2.978 -6.122 1.00 15.00 C ATOM 2030 CG1 VAL A 125 9.498 3.274 -7.594 1.00 3.14 C ATOM 2031 CG2 VAL A 125 10.291 1.996 -5.590 1.00 42.02 C ATOM 0 H VAL A 125 11.222 4.766 -4.685 1.00 44.03 H new ATOM 0 HA VAL A 125 8.509 4.952 -5.681 1.00 0.42 H new ATOM 0 HB VAL A 125 8.273 2.521 -6.025 1.00 15.00 H new ATOM 0 HG11 VAL A 125 9.482 2.342 -8.160 1.00 3.14 H new ATOM 0 HG12 VAL A 125 8.716 3.937 -7.964 1.00 3.14 H new ATOM 0 HG13 VAL A 125 10.469 3.755 -7.715 1.00 3.14 H new ATOM 0 HG21 VAL A 125 10.264 1.082 -6.184 1.00 42.02 H new ATOM 0 HG22 VAL A 125 11.284 2.442 -5.654 1.00 42.02 H new ATOM 0 HG23 VAL A 125 10.066 1.759 -4.550 1.00 42.02 H new ATOM 2041 N PRO A 126 7.680 3.840 -3.514 1.00 21.32 N ATOM 2042 CA PRO A 126 7.230 3.526 -2.155 1.00 12.33 C ATOM 2043 C PRO A 126 7.554 2.091 -1.752 1.00 60.25 C ATOM 2044 O PRO A 126 7.394 1.163 -2.545 1.00 33.30 O ATOM 2045 CB PRO A 126 5.714 3.732 -2.226 1.00 41.24 C ATOM 2046 CG PRO A 126 5.371 3.519 -3.660 1.00 35.13 C ATOM 2047 CD PRO A 126 6.554 4.012 -4.447 1.00 31.31 C ATOM 0 HA PRO A 126 7.724 4.148 -1.409 1.00 12.33 H new ATOM 0 HB2 PRO A 126 5.188 3.026 -1.584 1.00 41.24 H new ATOM 0 HB3 PRO A 126 5.434 4.733 -1.896 1.00 41.24 H new ATOM 0 HG2 PRO A 126 5.179 2.465 -3.863 1.00 35.13 H new ATOM 0 HG3 PRO A 126 4.467 4.065 -3.930 1.00 35.13 H new ATOM 0 HD2 PRO A 126 6.697 3.435 -5.361 1.00 31.31 H new ATOM 0 HD3 PRO A 126 6.433 5.054 -4.744 1.00 31.31 H new ATOM 2055 N VAL A 127 8.011 1.916 -0.516 1.00 72.44 N ATOM 2056 CA VAL A 127 8.356 0.593 -0.009 1.00 40.53 C ATOM 2057 C VAL A 127 7.798 0.379 1.393 1.00 53.34 C ATOM 2058 O VAL A 127 8.005 -0.671 2.002 1.00 53.34 O ATOM 2059 CB VAL A 127 9.882 0.385 0.019 1.00 23.25 C ATOM 2060 CG1 VAL A 127 10.449 0.393 -1.391 1.00 43.02 C ATOM 2061 CG2 VAL A 127 10.549 1.449 0.878 1.00 33.11 C ATOM 0 H VAL A 127 8.151 2.674 0.152 1.00 72.44 H new ATOM 0 HA VAL A 127 7.910 -0.134 -0.688 1.00 40.53 H new ATOM 0 HB VAL A 127 10.090 -0.589 0.462 1.00 23.25 H new ATOM 0 HG11 VAL A 127 11.528 0.245 -1.350 1.00 43.02 H new ATOM 0 HG12 VAL A 127 9.994 -0.410 -1.971 1.00 43.02 H new ATOM 0 HG13 VAL A 127 10.232 1.350 -1.865 1.00 43.02 H new ATOM 0 HG21 VAL A 127 11.627 1.287 0.887 1.00 33.11 H new ATOM 0 HG22 VAL A 127 10.334 2.436 0.468 1.00 33.11 H new ATOM 0 HG23 VAL A 127 10.165 1.388 1.896 1.00 33.11 H new ATOM 2071 N HIS A 128 7.089 1.383 1.901 1.00 3.14 N ATOM 2072 CA HIS A 128 6.499 1.305 3.233 1.00 24.31 C ATOM 2073 C HIS A 128 5.368 2.317 3.387 1.00 53.30 C ATOM 2074 O HIS A 128 5.522 3.492 3.047 1.00 5.04 O ATOM 2075 CB HIS A 128 7.565 1.548 4.301 1.00 23.01 C ATOM 2076 CG HIS A 128 7.004 1.983 5.620 1.00 21.51 C ATOM 2077 ND1 HIS A 128 7.167 1.259 6.782 1.00 22.55 N ATOM 2078 CD2 HIS A 128 6.280 3.074 5.957 1.00 53.12 C ATOM 2079 CE1 HIS A 128 6.566 1.886 7.777 1.00 11.14 C ATOM 2080 NE2 HIS A 128 6.020 2.991 7.303 1.00 12.42 N ATOM 0 H HIS A 128 6.909 2.259 1.411 1.00 3.14 H new ATOM 0 HA HIS A 128 6.087 0.304 3.362 1.00 24.31 H new ATOM 0 HB2 HIS A 128 8.139 0.633 4.444 1.00 23.01 H new ATOM 0 HB3 HIS A 128 8.260 2.308 3.943 1.00 23.01 H new ATOM 0 HD2 HIS A 128 5.965 3.864 5.291 1.00 53.12 H new ATOM 0 HE1 HIS A 128 6.528 1.552 8.803 1.00 11.14 H new ATOM 0 HE2 HIS A 128 5.491 3.672 7.848 1.00 12.42 H new ATOM 2089 N LEU A 129 4.233 1.856 3.899 1.00 44.20 N ATOM 2090 CA LEU A 129 3.076 2.722 4.097 1.00 20.14 C ATOM 2091 C LEU A 129 2.780 2.904 5.583 1.00 42.13 C ATOM 2092 O LEU A 129 2.379 1.963 6.267 1.00 22.22 O ATOM 2093 CB LEU A 129 1.850 2.138 3.391 1.00 4.33 C ATOM 2094 CG LEU A 129 0.631 3.054 3.296 1.00 11.25 C ATOM 2095 CD1 LEU A 129 -0.143 3.050 4.606 1.00 30.51 C ATOM 2096 CD2 LEU A 129 1.054 4.469 2.930 1.00 33.01 C ATOM 0 H LEU A 129 4.089 0.888 4.185 1.00 44.20 H new ATOM 0 HA LEU A 129 3.306 3.697 3.668 1.00 20.14 H new ATOM 0 HB2 LEU A 129 2.141 1.848 2.381 1.00 4.33 H new ATOM 0 HB3 LEU A 129 1.555 1.227 3.912 1.00 4.33 H new ATOM 0 HG LEU A 129 -0.022 2.676 2.510 1.00 11.25 H new ATOM 0 HD11 LEU A 129 -1.008 3.708 4.520 1.00 30.51 H new ATOM 0 HD12 LEU A 129 -0.479 2.037 4.827 1.00 30.51 H new ATOM 0 HD13 LEU A 129 0.502 3.402 5.411 1.00 30.51 H new ATOM 0 HD21 LEU A 129 0.173 5.107 2.867 1.00 33.01 H new ATOM 0 HD22 LEU A 129 1.728 4.856 3.694 1.00 33.01 H new ATOM 0 HD23 LEU A 129 1.564 4.459 1.967 1.00 33.01 H new ATOM 2108 N ASP A 130 2.981 4.122 6.075 1.00 54.23 N ATOM 2109 CA ASP A 130 2.733 4.430 7.479 1.00 54.10 C ATOM 2110 C ASP A 130 1.238 4.411 7.784 1.00 4.10 C ATOM 2111 O ASP A 130 0.778 3.654 8.639 1.00 1.01 O ATOM 2112 CB ASP A 130 3.321 5.796 7.835 1.00 41.13 C ATOM 2113 CG ASP A 130 3.766 5.876 9.282 1.00 33.21 C ATOM 2114 OD1 ASP A 130 2.890 5.942 10.170 1.00 71.24 O ATOM 2115 OD2 ASP A 130 4.990 5.871 9.527 1.00 3.31 O ATOM 0 H ASP A 130 3.315 4.912 5.523 1.00 54.23 H new ATOM 0 HA ASP A 130 3.219 3.665 8.084 1.00 54.10 H new ATOM 0 HB2 ASP A 130 4.171 6.003 7.185 1.00 41.13 H new ATOM 0 HB3 ASP A 130 2.577 6.569 7.643 1.00 41.13 H new ATOM 2120 N THR A 131 0.485 5.250 7.080 1.00 2.23 N ATOM 2121 CA THR A 131 -0.956 5.331 7.277 1.00 75.02 C ATOM 2122 C THR A 131 -1.608 6.211 6.216 1.00 51.43 C ATOM 2123 O THR A 131 -0.934 6.731 5.325 1.00 31.34 O ATOM 2124 CB THR A 131 -1.303 5.886 8.671 1.00 11.45 C ATOM 2125 OG1 THR A 131 -2.701 5.720 8.932 1.00 63.42 O ATOM 2126 CG2 THR A 131 -0.935 7.359 8.774 1.00 4.11 C ATOM 0 H THR A 131 0.850 5.883 6.368 1.00 2.23 H new ATOM 0 HA THR A 131 -1.343 4.316 7.192 1.00 75.02 H new ATOM 0 HB THR A 131 -0.728 5.330 9.411 1.00 11.45 H new ATOM 0 HG1 THR A 131 -2.912 6.074 9.821 1.00 63.42 H new ATOM 0 HG21 THR A 131 -1.189 7.729 9.767 1.00 4.11 H new ATOM 0 HG22 THR A 131 0.135 7.479 8.605 1.00 4.11 H new ATOM 0 HG23 THR A 131 -1.487 7.925 8.024 1.00 4.11 H new ATOM 2134 N THR A 132 -2.924 6.377 6.316 1.00 5.24 N ATOM 2135 CA THR A 132 -3.666 7.194 5.365 1.00 64.21 C ATOM 2136 C THR A 132 -4.507 8.244 6.081 1.00 10.34 C ATOM 2137 O THR A 132 -5.466 7.914 6.779 1.00 52.41 O ATOM 2138 CB THR A 132 -4.586 6.330 4.481 1.00 15.40 C ATOM 2139 OG1 THR A 132 -5.168 5.280 5.260 1.00 32.03 O ATOM 2140 CG2 THR A 132 -3.813 5.735 3.314 1.00 13.52 C ATOM 0 H THR A 132 -3.497 5.956 7.047 1.00 5.24 H new ATOM 0 HA THR A 132 -2.930 7.692 4.733 1.00 64.21 H new ATOM 0 HB THR A 132 -5.376 6.968 4.084 1.00 15.40 H new ATOM 0 HG1 THR A 132 -5.523 5.650 6.095 1.00 32.03 H new ATOM 0 HG21 THR A 132 -4.484 5.129 2.704 1.00 13.52 H new ATOM 0 HG22 THR A 132 -3.396 6.538 2.706 1.00 13.52 H new ATOM 0 HG23 THR A 132 -3.004 5.110 3.694 1.00 13.52 H new ATOM 2148 N ILE A 133 -4.141 9.509 5.904 1.00 53.24 N ATOM 2149 CA ILE A 133 -4.864 10.608 6.533 1.00 1.21 C ATOM 2150 C ILE A 133 -6.357 10.309 6.613 1.00 71.43 C ATOM 2151 O ILE A 133 -6.901 10.091 7.695 1.00 20.11 O ATOM 2152 CB ILE A 133 -4.657 11.929 5.768 1.00 3.12 C ATOM 2153 CG1 ILE A 133 -3.201 12.386 5.882 1.00 71.22 C ATOM 2154 CG2 ILE A 133 -5.597 13.001 6.299 1.00 30.41 C ATOM 2155 CD1 ILE A 133 -2.727 12.543 7.309 1.00 5.33 C ATOM 0 H ILE A 133 -3.349 9.798 5.331 1.00 53.24 H new ATOM 0 HA ILE A 133 -4.462 10.714 7.541 1.00 1.21 H new ATOM 0 HB ILE A 133 -4.885 11.762 4.715 1.00 3.12 H new ATOM 0 HG12 ILE A 133 -2.562 11.665 5.373 1.00 71.22 H new ATOM 0 HG13 ILE A 133 -3.086 13.337 5.363 1.00 71.22 H new ATOM 0 HG21 ILE A 133 -5.439 13.929 5.749 1.00 30.41 H new ATOM 0 HG22 ILE A 133 -6.629 12.675 6.172 1.00 30.41 H new ATOM 0 HG23 ILE A 133 -5.397 13.168 7.357 1.00 30.41 H new ATOM 0 HD11 ILE A 133 -1.687 12.869 7.313 1.00 5.33 H new ATOM 0 HD12 ILE A 133 -3.342 13.286 7.817 1.00 5.33 H new ATOM 0 HD13 ILE A 133 -2.810 11.588 7.827 1.00 5.33 H new