USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1073 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 HIS : no HD1:sc= -1.45 K(o=-4.4,f=-12!) USER MOD Set 1.2: A 65 ASN : amide:sc= -2.94! C(o=-4.4!,f=-8.8!) USER MOD Set 2.1: A 46 THR OG1 : rot 160:sc= -1.64 USER MOD Set 2.2: A 47 THR OG1 : rot 38:sc= 0.74 USER MOD Set 2.3: A 50 ASN :FLIP amide:sc= 0.384 F(o=-4.5!,f=-0.51) USER MOD Set 3.1: A 42 THR OG1 : rot 110:sc= -1.52 USER MOD Set 3.2: A 82 HIS : no HE2:sc= -0.917 K(o=-1.9,f=-2.7) USER MOD Set 3.3: A 132 THR OG1 : rot 132:sc= 0.529 USER MOD Set 4.1: A 27 MET CE :methyl -108:sc= -7.65! (180deg=-1.89) USER MOD Set 4.2: A 31 ASN : amide:sc= -8.26! C(o=-15!,f=-21!) USER MOD Set 4.3: A 98 TYR OH : rot 125:sc= 1.07 USER MOD Single : A 1 ARG N :NH3+ -130:sc= -0.526 (180deg=-5!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -121:sc= -2.62! USER MOD Single : A 9 GLN :FLIP amide:sc= -1.09 F(o=-4.1,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.022) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -1.05 F(o=-4.2!,f=-1) USER MOD Single : A 17 SER OG : rot 20:sc= -0.527 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.784 F(o=-2.5!,f=-0.78) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0758 K(o=-0.076,f=-1.5!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0.0365 (180deg=0.0361) USER MOD Single : A 39 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.42) USER MOD Single : A 40 GLN : amide:sc= -9.46! C(o=-9.5!,f=-13!) USER MOD Single : A 41 ASN : amide:sc= -11.2! C(o=-11!,f=-15!) USER MOD Single : A 53 ASN : amide:sc= -0.0992 X(o=-0.099,f=-0.099) USER MOD Single : A 57 ASN : amide:sc= -1.01 K(o=-1,f=-1.9!) USER MOD Single : A 58 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.0625 K(o=0.063,f=-3.5!) USER MOD Single : A 70 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.1) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -2.95! C(o=-4.2!,f=-2.9!) USER MOD Single : A 74 SER OG : rot 106:sc= 0.902 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.815 F(o=-2.4,f=-0.81) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc=-0.00262 X(o=-0.0026,f=-0.18) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.702 K(o=-0.7,f=-3.7!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.299 K(o=0.3,f=-0.54) USER MOD Single : A 119 SER OG : rot -66:sc= -0.345 USER MOD Single : A 122 TYR OH : rot 60:sc= -0.269 USER MOD Single : A 128 HIS : no HE2:sc= -4.71! C(o=-4.7!,f=-4.8!) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.127 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.103 -10.045 -0.792 1.00 35.25 N ATOM 2 CA ARG A 1 7.281 -9.699 -1.577 1.00 70.50 C ATOM 3 C ARG A 1 7.908 -10.946 -2.195 1.00 12.05 C ATOM 4 O ARG A 1 9.048 -11.306 -1.902 1.00 43.04 O ATOM 5 CB ARG A 1 8.309 -8.978 -0.702 1.00 33.42 C ATOM 6 CG ARG A 1 7.719 -7.842 0.118 1.00 45.00 C ATOM 7 CD ARG A 1 8.749 -6.756 0.385 1.00 44.50 C ATOM 8 NE ARG A 1 8.156 -5.583 1.021 1.00 60.22 N ATOM 9 CZ ARG A 1 7.969 -5.473 2.332 1.00 34.41 C ATOM 10 NH1 ARG A 1 8.327 -6.461 3.141 1.00 40.44 N ATOM 11 NH2 ARG A 1 7.422 -4.374 2.835 1.00 3.42 N ATOM 0 H1 ARG A 1 5.309 -9.434 -1.071 1.00 35.25 H new ATOM 0 H2 ARG A 1 5.852 -11.040 -0.963 1.00 35.25 H new ATOM 0 H3 ARG A 1 6.307 -9.908 0.219 1.00 35.25 H new ATOM 0 HA ARG A 1 6.968 -9.034 -2.382 1.00 70.50 H new ATOM 0 HB2 ARG A 1 8.771 -9.700 -0.028 1.00 33.42 H new ATOM 0 HB3 ARG A 1 9.102 -8.583 -1.337 1.00 33.42 H new ATOM 0 HG2 ARG A 1 6.867 -7.415 -0.410 1.00 45.00 H new ATOM 0 HG3 ARG A 1 7.345 -8.231 1.065 1.00 45.00 H new ATOM 0 HD2 ARG A 1 9.538 -7.154 1.023 1.00 44.50 H new ATOM 0 HD3 ARG A 1 9.217 -6.461 -0.554 1.00 44.50 H new ATOM 0 HE ARG A 1 7.870 -4.805 0.426 1.00 60.22 H new ATOM 0 HH11 ARG A 1 8.747 -7.308 2.757 1.00 40.44 H new ATOM 0 HH12 ARG A 1 8.182 -6.374 4.147 1.00 40.44 H new ATOM 0 HH21 ARG A 1 7.145 -3.613 2.215 1.00 3.42 H new ATOM 0 HH22 ARG A 1 7.279 -4.290 3.841 1.00 3.42 H new ATOM 25 N PRO A 2 7.147 -11.621 -3.068 1.00 34.22 N ATOM 26 CA PRO A 2 7.607 -12.838 -3.744 1.00 53.43 C ATOM 27 C PRO A 2 8.700 -12.553 -4.768 1.00 2.22 C ATOM 28 O PRO A 2 8.985 -11.403 -5.104 1.00 71.22 O ATOM 29 CB PRO A 2 6.345 -13.356 -4.439 1.00 72.24 C ATOM 30 CG PRO A 2 5.497 -12.146 -4.636 1.00 22.11 C ATOM 31 CD PRO A 2 5.778 -11.249 -3.462 1.00 72.54 C ATOM 0 HA PRO A 2 8.049 -13.550 -3.047 1.00 53.43 H new ATOM 0 HB2 PRO A 2 6.584 -13.831 -5.390 1.00 72.24 H new ATOM 0 HB3 PRO A 2 5.835 -14.102 -3.829 1.00 72.24 H new ATOM 0 HG2 PRO A 2 5.739 -11.648 -5.575 1.00 22.11 H new ATOM 0 HG3 PRO A 2 4.441 -12.412 -4.680 1.00 22.11 H new ATOM 0 HD2 PRO A 2 5.711 -10.196 -3.736 1.00 72.54 H new ATOM 0 HD3 PRO A 2 5.068 -11.414 -2.652 1.00 72.54 H new ATOM 39 N PRO A 3 9.329 -13.623 -5.277 1.00 33.33 N ATOM 40 CA PRO A 3 10.400 -13.513 -6.271 1.00 2.22 C ATOM 41 C PRO A 3 9.886 -13.047 -7.629 1.00 32.13 C ATOM 42 O PRO A 3 10.655 -12.571 -8.463 1.00 61.20 O ATOM 43 CB PRO A 3 10.944 -14.941 -6.366 1.00 75.44 C ATOM 44 CG PRO A 3 9.805 -15.808 -5.952 1.00 1.22 C ATOM 45 CD PRO A 3 9.040 -15.023 -4.921 1.00 44.00 C ATOM 0 HA PRO A 3 11.149 -12.775 -5.983 1.00 2.22 H new ATOM 0 HB2 PRO A 3 11.271 -15.174 -7.380 1.00 75.44 H new ATOM 0 HB3 PRO A 3 11.806 -15.081 -5.713 1.00 75.44 H new ATOM 0 HG2 PRO A 3 9.172 -16.054 -6.804 1.00 1.22 H new ATOM 0 HG3 PRO A 3 10.163 -16.751 -5.538 1.00 1.22 H new ATOM 0 HD2 PRO A 3 7.972 -15.237 -4.964 1.00 44.00 H new ATOM 0 HD3 PRO A 3 9.372 -15.257 -3.909 1.00 44.00 H new ATOM 53 N GLN A 4 8.582 -13.187 -7.842 1.00 52.00 N ATOM 54 CA GLN A 4 7.966 -12.780 -9.100 1.00 0.12 C ATOM 55 C GLN A 4 7.601 -11.300 -9.073 1.00 14.52 C ATOM 56 O GLN A 4 7.253 -10.716 -10.100 1.00 31.31 O ATOM 57 CB GLN A 4 6.718 -13.620 -9.376 1.00 32.23 C ATOM 58 CG GLN A 4 6.978 -15.118 -9.361 1.00 60.43 C ATOM 59 CD GLN A 4 5.759 -15.918 -8.947 1.00 12.43 C ATOM 60 OE1 GLN A 4 5.825 -16.746 -8.038 1.00 72.20 O ATOM 61 NE2 GLN A 4 4.636 -15.674 -9.612 1.00 54.01 N ATOM 0 H GLN A 4 7.932 -13.579 -7.161 1.00 52.00 H new ATOM 0 HA GLN A 4 8.689 -12.943 -9.899 1.00 0.12 H new ATOM 0 HB2 GLN A 4 5.959 -13.384 -8.630 1.00 32.23 H new ATOM 0 HB3 GLN A 4 6.309 -13.340 -10.347 1.00 32.23 H new ATOM 0 HG2 GLN A 4 7.298 -15.437 -10.353 1.00 60.43 H new ATOM 0 HG3 GLN A 4 7.799 -15.334 -8.677 1.00 60.43 H new ATOM 0 HE21 GLN A 4 4.626 -14.979 -10.359 1.00 54.01 H new ATOM 0 HE22 GLN A 4 3.783 -16.181 -9.376 1.00 54.01 H new ATOM 70 N PHE A 5 7.681 -10.697 -7.891 1.00 50.02 N ATOM 71 CA PHE A 5 7.357 -9.284 -7.730 1.00 73.15 C ATOM 72 C PHE A 5 8.418 -8.574 -6.895 1.00 2.21 C ATOM 73 O PHE A 5 8.977 -9.149 -5.960 1.00 61.00 O ATOM 74 CB PHE A 5 5.985 -9.125 -7.073 1.00 32.12 C ATOM 75 CG PHE A 5 4.866 -9.741 -7.864 1.00 1.41 C ATOM 76 CD1 PHE A 5 4.863 -9.679 -9.248 1.00 52.02 C ATOM 77 CD2 PHE A 5 3.817 -10.381 -7.223 1.00 62.50 C ATOM 78 CE1 PHE A 5 3.835 -10.244 -9.978 1.00 64.31 C ATOM 79 CE2 PHE A 5 2.786 -10.949 -7.949 1.00 3.31 C ATOM 80 CZ PHE A 5 2.796 -10.881 -9.328 1.00 12.33 C ATOM 0 H PHE A 5 7.967 -11.165 -7.031 1.00 50.02 H new ATOM 0 HA PHE A 5 7.333 -8.828 -8.720 1.00 73.15 H new ATOM 0 HB2 PHE A 5 6.011 -9.578 -6.082 1.00 32.12 H new ATOM 0 HB3 PHE A 5 5.779 -8.064 -6.933 1.00 32.12 H new ATOM 0 HD1 PHE A 5 5.673 -9.183 -9.762 1.00 52.02 H new ATOM 0 HD2 PHE A 5 3.805 -10.437 -6.145 1.00 62.50 H new ATOM 0 HE1 PHE A 5 3.844 -10.188 -11.056 1.00 64.31 H new ATOM 0 HE2 PHE A 5 1.974 -11.445 -7.438 1.00 3.31 H new ATOM 0 HZ PHE A 5 1.993 -11.325 -9.897 1.00 12.33 H new ATOM 90 N THR A 6 8.694 -7.320 -7.239 1.00 72.01 N ATOM 91 CA THR A 6 9.688 -6.532 -6.524 1.00 41.40 C ATOM 92 C THR A 6 9.135 -6.017 -5.200 1.00 52.30 C ATOM 93 O THR A 6 8.013 -6.349 -4.814 1.00 63.54 O ATOM 94 CB THR A 6 10.169 -5.335 -7.366 1.00 51.31 C ATOM 95 OG1 THR A 6 9.046 -4.666 -7.953 1.00 30.13 O ATOM 96 CG2 THR A 6 11.122 -5.790 -8.460 1.00 24.50 C ATOM 0 H THR A 6 8.242 -6.828 -8.010 1.00 72.01 H new ATOM 0 HA THR A 6 10.533 -7.193 -6.329 1.00 41.40 H new ATOM 0 HB THR A 6 10.699 -4.647 -6.708 1.00 51.31 H new ATOM 0 HG1 THR A 6 9.140 -4.663 -8.928 1.00 30.13 H new ATOM 0 HG21 THR A 6 11.448 -4.927 -9.041 1.00 24.50 H new ATOM 0 HG22 THR A 6 11.989 -6.273 -8.009 1.00 24.50 H new ATOM 0 HG23 THR A 6 10.613 -6.497 -9.115 1.00 24.50 H new ATOM 104 N ARG A 7 9.926 -5.204 -4.509 1.00 10.41 N ATOM 105 CA ARG A 7 9.514 -4.643 -3.227 1.00 63.42 C ATOM 106 C ARG A 7 8.588 -3.447 -3.429 1.00 22.30 C ATOM 107 O ARG A 7 7.679 -3.213 -2.635 1.00 1.12 O ATOM 108 CB ARG A 7 10.739 -4.222 -2.413 1.00 41.12 C ATOM 109 CG ARG A 7 11.714 -5.358 -2.148 1.00 12.41 C ATOM 110 CD ARG A 7 13.119 -4.837 -1.889 1.00 14.01 C ATOM 111 NE ARG A 7 13.908 -5.767 -1.086 1.00 63.33 N ATOM 112 CZ ARG A 7 14.521 -6.834 -1.589 1.00 13.40 C ATOM 113 NH1 ARG A 7 14.435 -7.103 -2.884 1.00 41.22 N ATOM 114 NH2 ARG A 7 15.222 -7.633 -0.795 1.00 73.41 N ATOM 0 H ARG A 7 10.856 -4.918 -4.815 1.00 10.41 H new ATOM 0 HA ARG A 7 8.970 -5.413 -2.680 1.00 63.42 H new ATOM 0 HB2 ARG A 7 11.259 -3.424 -2.942 1.00 41.12 H new ATOM 0 HB3 ARG A 7 10.407 -3.809 -1.460 1.00 41.12 H new ATOM 0 HG2 ARG A 7 11.375 -5.937 -1.289 1.00 12.41 H new ATOM 0 HG3 ARG A 7 11.727 -6.034 -3.003 1.00 12.41 H new ATOM 0 HD2 ARG A 7 13.622 -4.662 -2.840 1.00 14.01 H new ATOM 0 HD3 ARG A 7 13.061 -3.876 -1.378 1.00 14.01 H new ATOM 0 HE ARG A 7 13.993 -5.588 -0.085 1.00 63.33 H new ATOM 0 HH11 ARG A 7 13.897 -6.491 -3.497 1.00 41.22 H new ATOM 0 HH12 ARG A 7 14.906 -7.922 -3.267 1.00 41.22 H new ATOM 0 HH21 ARG A 7 15.291 -7.429 0.202 1.00 73.41 H new ATOM 0 HH22 ARG A 7 15.692 -8.452 -1.182 1.00 73.41 H new ATOM 128 N ALA A 8 8.828 -2.694 -4.498 1.00 21.52 N ATOM 129 CA ALA A 8 8.015 -1.525 -4.805 1.00 54.40 C ATOM 130 C ALA A 8 6.793 -1.906 -5.633 1.00 34.50 C ATOM 131 O ALA A 8 5.661 -1.597 -5.264 1.00 21.14 O ATOM 132 CB ALA A 8 8.847 -0.482 -5.538 1.00 31.02 C ATOM 0 H ALA A 8 9.579 -2.873 -5.165 1.00 21.52 H new ATOM 0 HA ALA A 8 7.665 -1.100 -3.864 1.00 54.40 H new ATOM 0 HB1 ALA A 8 8.227 0.386 -5.761 1.00 31.02 H new ATOM 0 HB2 ALA A 8 9.685 -0.178 -4.910 1.00 31.02 H new ATOM 0 HB3 ALA A 8 9.226 -0.906 -6.468 1.00 31.02 H new ATOM 138 N GLN A 9 7.031 -2.579 -6.754 1.00 71.32 N ATOM 139 CA GLN A 9 5.948 -3.002 -7.636 1.00 11.24 C ATOM 140 C GLN A 9 4.949 -3.878 -6.888 1.00 2.10 C ATOM 141 O GLN A 9 3.758 -3.883 -7.200 1.00 31.53 O ATOM 142 CB GLN A 9 6.509 -3.760 -8.840 1.00 1.13 C ATOM 143 CG GLN A 9 6.559 -5.267 -8.640 1.00 52.40 C ATOM 144 CD GLN A 9 5.316 -5.965 -9.155 1.00 62.15 C ATOM 145 OE1 GLN A 9 4.541 -6.543 -8.245 1.00 44.31 O flip ATOM 146 NE2 GLN A 9 5.055 -5.986 -10.359 1.00 63.21 N flip ATOM 0 H GLN A 9 7.963 -2.843 -7.073 1.00 71.32 H new ATOM 0 HA GLN A 9 5.429 -2.110 -7.988 1.00 11.24 H new ATOM 0 HB2 GLN A 9 5.899 -3.538 -9.715 1.00 1.13 H new ATOM 0 HB3 GLN A 9 7.514 -3.396 -9.052 1.00 1.13 H new ATOM 0 HG2 GLN A 9 7.434 -5.669 -9.150 1.00 52.40 H new ATOM 0 HG3 GLN A 9 6.680 -5.485 -7.579 1.00 52.40 H new ATOM 0 HE21 GLN A 9 5.679 -5.529 -11.024 1.00 63.21 H new ATOM 0 HE22 GLN A 9 4.215 -6.461 -10.691 1.00 63.21 H new ATOM 155 N TRP A 10 5.440 -4.618 -5.901 1.00 44.41 N ATOM 156 CA TRP A 10 4.590 -5.499 -5.108 1.00 71.43 C ATOM 157 C TRP A 10 3.852 -4.716 -4.027 1.00 45.22 C ATOM 158 O TRP A 10 2.790 -5.130 -3.564 1.00 23.35 O ATOM 159 CB TRP A 10 5.426 -6.610 -4.470 1.00 74.13 C ATOM 160 CG TRP A 10 4.599 -7.656 -3.786 1.00 72.41 C ATOM 161 CD1 TRP A 10 4.748 -8.112 -2.508 1.00 21.12 C ATOM 162 CD2 TRP A 10 3.497 -8.379 -4.346 1.00 43.23 C ATOM 163 NE1 TRP A 10 3.805 -9.074 -2.239 1.00 33.24 N ATOM 164 CE2 TRP A 10 3.025 -9.255 -3.349 1.00 71.44 C ATOM 165 CE3 TRP A 10 2.862 -8.370 -5.591 1.00 52.12 C ATOM 166 CZ2 TRP A 10 1.948 -10.113 -3.562 1.00 51.11 C ATOM 167 CZ3 TRP A 10 1.795 -9.222 -5.801 1.00 55.51 C ATOM 168 CH2 TRP A 10 1.346 -10.083 -4.790 1.00 53.03 C ATOM 0 H TRP A 10 6.423 -4.626 -5.630 1.00 44.41 H new ATOM 0 HA TRP A 10 3.852 -5.946 -5.774 1.00 71.43 H new ATOM 0 HB2 TRP A 10 6.035 -7.084 -5.240 1.00 74.13 H new ATOM 0 HB3 TRP A 10 6.112 -6.169 -3.747 1.00 74.13 H new ATOM 0 HD1 TRP A 10 5.497 -7.767 -1.811 1.00 21.12 H new ATOM 0 HE1 TRP A 10 3.703 -9.573 -1.355 1.00 33.24 H new ATOM 0 HE3 TRP A 10 3.200 -7.709 -6.375 1.00 52.12 H new ATOM 0 HZ2 TRP A 10 1.601 -10.778 -2.785 1.00 51.11 H new ATOM 0 HZ3 TRP A 10 1.298 -9.225 -6.760 1.00 55.51 H new ATOM 0 HH2 TRP A 10 0.508 -10.736 -4.985 1.00 53.03 H new ATOM 179 N PHE A 11 4.423 -3.583 -3.630 1.00 31.41 N ATOM 180 CA PHE A 11 3.818 -2.743 -2.602 1.00 65.05 C ATOM 181 C PHE A 11 2.482 -2.179 -3.078 1.00 2.51 C ATOM 182 O PHE A 11 1.471 -2.281 -2.384 1.00 2.40 O ATOM 183 CB PHE A 11 4.764 -1.599 -2.228 1.00 23.53 C ATOM 184 CG PHE A 11 4.052 -0.351 -1.793 1.00 53.25 C ATOM 185 CD1 PHE A 11 3.518 0.520 -2.730 1.00 64.14 C ATOM 186 CD2 PHE A 11 3.914 -0.048 -0.448 1.00 64.13 C ATOM 187 CE1 PHE A 11 2.863 1.670 -2.334 1.00 2.15 C ATOM 188 CE2 PHE A 11 3.259 1.101 -0.045 1.00 44.14 C ATOM 189 CZ PHE A 11 2.733 1.960 -0.989 1.00 34.42 C ATOM 0 H PHE A 11 5.302 -3.226 -4.004 1.00 31.41 H new ATOM 0 HA PHE A 11 3.639 -3.360 -1.721 1.00 65.05 H new ATOM 0 HB2 PHE A 11 5.423 -1.931 -1.425 1.00 23.53 H new ATOM 0 HB3 PHE A 11 5.397 -1.367 -3.084 1.00 23.53 H new ATOM 0 HD1 PHE A 11 3.615 0.297 -3.782 1.00 64.14 H new ATOM 0 HD2 PHE A 11 4.323 -0.717 0.294 1.00 64.13 H new ATOM 0 HE1 PHE A 11 2.453 2.341 -3.074 1.00 2.15 H new ATOM 0 HE2 PHE A 11 3.159 1.326 1.007 1.00 44.14 H new ATOM 0 HZ PHE A 11 2.220 2.858 -0.677 1.00 34.42 H new ATOM 199 N ALA A 12 2.488 -1.583 -4.266 1.00 10.11 N ATOM 200 CA ALA A 12 1.278 -1.003 -4.834 1.00 74.33 C ATOM 201 C ALA A 12 0.242 -2.082 -5.137 1.00 51.33 C ATOM 202 O ALA A 12 -0.960 -1.816 -5.143 1.00 61.40 O ATOM 203 CB ALA A 12 1.610 -0.220 -6.096 1.00 11.51 C ATOM 0 H ALA A 12 3.317 -1.489 -4.853 1.00 10.11 H new ATOM 0 HA ALA A 12 0.851 -0.322 -4.098 1.00 74.33 H new ATOM 0 HB1 ALA A 12 0.697 0.208 -6.510 1.00 11.51 H new ATOM 0 HB2 ALA A 12 2.309 0.581 -5.854 1.00 11.51 H new ATOM 0 HB3 ALA A 12 2.063 -0.887 -6.830 1.00 11.51 H new ATOM 209 N ILE A 13 0.717 -3.297 -5.388 1.00 1.21 N ATOM 210 CA ILE A 13 -0.168 -4.414 -5.691 1.00 22.14 C ATOM 211 C ILE A 13 -1.203 -4.610 -4.588 1.00 31.43 C ATOM 212 O ILE A 13 -2.372 -4.883 -4.862 1.00 51.33 O ATOM 213 CB ILE A 13 0.621 -5.723 -5.877 1.00 23.41 C ATOM 214 CG1 ILE A 13 1.134 -5.836 -7.315 1.00 30.24 C ATOM 215 CG2 ILE A 13 -0.248 -6.921 -5.523 1.00 62.22 C ATOM 216 CD1 ILE A 13 0.222 -6.634 -8.220 1.00 51.44 C ATOM 0 H ILE A 13 1.709 -3.533 -5.387 1.00 1.21 H new ATOM 0 HA ILE A 13 -0.676 -4.170 -6.624 1.00 22.14 H new ATOM 0 HB ILE A 13 1.479 -5.711 -5.205 1.00 23.41 H new ATOM 0 HG12 ILE A 13 1.257 -4.835 -7.728 1.00 30.24 H new ATOM 0 HG13 ILE A 13 2.120 -6.300 -7.305 1.00 30.24 H new ATOM 0 HG21 ILE A 13 0.324 -7.839 -5.660 1.00 62.22 H new ATOM 0 HG22 ILE A 13 -0.568 -6.844 -4.484 1.00 62.22 H new ATOM 0 HG23 ILE A 13 -1.124 -6.940 -6.172 1.00 62.22 H new ATOM 0 HD11 ILE A 13 0.648 -6.673 -9.223 1.00 51.44 H new ATOM 0 HD12 ILE A 13 0.118 -7.647 -7.830 1.00 51.44 H new ATOM 0 HD13 ILE A 13 -0.758 -6.158 -8.260 1.00 51.44 H new ATOM 228 N GLN A 14 -0.765 -4.468 -3.342 1.00 21.33 N ATOM 229 CA GLN A 14 -1.655 -4.630 -2.197 1.00 40.35 C ATOM 230 C GLN A 14 -2.037 -3.274 -1.610 1.00 23.02 C ATOM 231 O GLN A 14 -3.125 -3.110 -1.058 1.00 2.11 O ATOM 232 CB GLN A 14 -0.990 -5.494 -1.125 1.00 0.40 C ATOM 233 CG GLN A 14 -0.200 -4.693 -0.101 1.00 34.52 C ATOM 234 CD GLN A 14 0.779 -5.549 0.679 1.00 14.33 C ATOM 235 OE1 GLN A 14 0.772 -5.554 1.910 1.00 73.10 O ATOM 236 NE2 GLN A 14 1.628 -6.277 -0.035 1.00 13.22 N ATOM 0 H GLN A 14 0.199 -4.241 -3.099 1.00 21.33 H new ATOM 0 HA GLN A 14 -2.563 -5.126 -2.541 1.00 40.35 H new ATOM 0 HB2 GLN A 14 -1.757 -6.072 -0.609 1.00 0.40 H new ATOM 0 HB3 GLN A 14 -0.323 -6.208 -1.608 1.00 0.40 H new ATOM 0 HG2 GLN A 14 0.344 -3.897 -0.609 1.00 34.52 H new ATOM 0 HG3 GLN A 14 -0.891 -4.215 0.593 1.00 34.52 H new ATOM 0 HE21 GLN A 14 1.598 -6.242 -1.054 1.00 13.22 H new ATOM 0 HE22 GLN A 14 2.311 -6.872 0.435 1.00 13.22 H new ATOM 245 N HIS A 15 -1.134 -2.306 -1.733 1.00 73.52 N ATOM 246 CA HIS A 15 -1.377 -0.964 -1.215 1.00 64.00 C ATOM 247 C HIS A 15 -2.022 -0.080 -2.278 1.00 3.14 C ATOM 248 O HIS A 15 -2.419 1.052 -1.999 1.00 62.41 O ATOM 249 CB HIS A 15 -0.068 -0.336 -0.736 1.00 13.41 C ATOM 250 CG HIS A 15 0.401 -0.863 0.585 1.00 63.30 C ATOM 251 ND1 HIS A 15 1.563 -1.463 0.936 1.00 1.14 N flip ATOM 252 CD2 HIS A 15 -0.361 -0.805 1.733 1.00 13.32 C flip ATOM 253 CE1 HIS A 15 1.482 -1.752 2.276 1.00 31.03 C flip ATOM 254 NE2 HIS A 15 0.312 -1.344 2.733 1.00 5.30 N flip ATOM 0 H HIS A 15 -0.228 -2.426 -2.186 1.00 73.52 H new ATOM 0 HA HIS A 15 -2.062 -1.044 -0.371 1.00 64.00 H new ATOM 0 HB2 HIS A 15 0.705 -0.513 -1.484 1.00 13.41 H new ATOM 0 HB3 HIS A 15 -0.198 0.744 -0.662 1.00 13.41 H new ATOM 0 HD1 HIS A 15 2.351 -1.663 0.320 1.00 1.14 H new ATOM 0 HD2 HIS A 15 -1.353 -0.384 1.803 1.00 13.32 H new ATOM 0 HE1 HIS A 15 2.251 -2.235 2.861 1.00 31.03 H new ATOM 263 N ILE A 16 -2.121 -0.602 -3.495 1.00 63.01 N ATOM 264 CA ILE A 16 -2.717 0.140 -4.598 1.00 64.21 C ATOM 265 C ILE A 16 -3.567 -0.770 -5.478 1.00 14.15 C ATOM 266 O ILE A 16 -3.214 -1.924 -5.720 1.00 24.23 O ATOM 267 CB ILE A 16 -1.640 0.815 -5.469 1.00 41.14 C ATOM 268 CG1 ILE A 16 -1.387 2.246 -4.987 1.00 14.02 C ATOM 269 CG2 ILE A 16 -2.061 0.810 -6.931 1.00 72.12 C ATOM 270 CD1 ILE A 16 0.039 2.709 -5.192 1.00 12.24 C ATOM 0 H ILE A 16 -1.796 -1.537 -3.742 1.00 63.01 H new ATOM 0 HA ILE A 16 -3.350 0.908 -4.155 1.00 64.21 H new ATOM 0 HB ILE A 16 -0.712 0.250 -5.376 1.00 41.14 H new ATOM 0 HG12 ILE A 16 -2.060 2.923 -5.514 1.00 14.02 H new ATOM 0 HG13 ILE A 16 -1.634 2.313 -3.927 1.00 14.02 H new ATOM 0 HG21 ILE A 16 -1.290 1.290 -7.533 1.00 72.12 H new ATOM 0 HG22 ILE A 16 -2.196 -0.218 -7.267 1.00 72.12 H new ATOM 0 HG23 ILE A 16 -2.999 1.354 -7.041 1.00 72.12 H new ATOM 0 HD11 ILE A 16 0.146 3.731 -4.828 1.00 12.24 H new ATOM 0 HD12 ILE A 16 0.716 2.055 -4.642 1.00 12.24 H new ATOM 0 HD13 ILE A 16 0.284 2.675 -6.254 1.00 12.24 H new ATOM 282 N SER A 17 -4.690 -0.242 -5.955 1.00 14.33 N ATOM 283 CA SER A 17 -5.593 -1.007 -6.806 1.00 53.12 C ATOM 284 C SER A 17 -6.700 -0.117 -7.363 1.00 42.34 C ATOM 285 O SER A 17 -7.632 0.256 -6.649 1.00 2.10 O ATOM 286 CB SER A 17 -6.205 -2.170 -6.022 1.00 14.33 C ATOM 287 OG SER A 17 -7.082 -1.699 -5.013 1.00 52.23 O ATOM 0 H SER A 17 -4.996 0.713 -5.766 1.00 14.33 H new ATOM 0 HA SER A 17 -5.015 -1.404 -7.641 1.00 53.12 H new ATOM 0 HB2 SER A 17 -6.748 -2.826 -6.703 1.00 14.33 H new ATOM 0 HB3 SER A 17 -5.412 -2.765 -5.570 1.00 14.33 H new ATOM 0 HG SER A 17 -7.356 -0.781 -5.220 1.00 52.23 H new ATOM 293 N LEU A 18 -6.590 0.221 -8.642 1.00 42.25 N ATOM 294 CA LEU A 18 -7.580 1.068 -9.298 1.00 55.20 C ATOM 295 C LEU A 18 -8.995 0.580 -9.005 1.00 3.14 C ATOM 296 O LEU A 18 -9.843 1.342 -8.543 1.00 51.23 O ATOM 297 CB LEU A 18 -7.340 1.094 -10.809 1.00 21.24 C ATOM 298 CG LEU A 18 -5.890 0.918 -11.260 1.00 42.41 C ATOM 299 CD1 LEU A 18 -5.756 1.202 -12.748 1.00 55.05 C ATOM 300 CD2 LEU A 18 -4.969 1.825 -10.458 1.00 24.11 C ATOM 0 H LEU A 18 -5.825 -0.078 -9.246 1.00 42.25 H new ATOM 0 HA LEU A 18 -7.475 2.078 -8.903 1.00 55.20 H new ATOM 0 HB2 LEU A 18 -7.940 0.307 -11.266 1.00 21.24 H new ATOM 0 HB3 LEU A 18 -7.709 2.043 -11.199 1.00 21.24 H new ATOM 0 HG LEU A 18 -5.596 -0.116 -11.080 1.00 42.41 H new ATOM 0 HD11 LEU A 18 -4.717 1.072 -13.051 1.00 55.05 H new ATOM 0 HD12 LEU A 18 -6.387 0.512 -13.308 1.00 55.05 H new ATOM 0 HD13 LEU A 18 -6.068 2.226 -12.952 1.00 55.05 H new ATOM 0 HD21 LEU A 18 -3.941 1.687 -10.792 1.00 24.11 H new ATOM 0 HD22 LEU A 18 -5.262 2.864 -10.607 1.00 24.11 H new ATOM 0 HD23 LEU A 18 -5.043 1.575 -9.400 1.00 24.11 H new ATOM 312 N ASN A 19 -9.241 -0.699 -9.273 1.00 54.55 N ATOM 313 CA ASN A 19 -10.553 -1.290 -9.037 1.00 25.12 C ATOM 314 C ASN A 19 -10.469 -2.398 -7.990 1.00 15.31 C ATOM 315 O ASN A 19 -10.350 -3.581 -8.310 1.00 50.12 O ATOM 316 CB ASN A 19 -11.126 -1.849 -10.341 1.00 74.25 C ATOM 317 CG ASN A 19 -10.044 -2.320 -11.294 1.00 30.11 C ATOM 318 OD1 ASN A 19 -9.380 -1.374 -11.947 1.00 63.31 O flip ATOM 319 ND2 ASN A 19 -9.809 -3.519 -11.439 1.00 71.33 N flip ATOM 0 H ASN A 19 -8.549 -1.345 -9.653 1.00 54.55 H new ATOM 0 HA ASN A 19 -11.214 -0.508 -8.663 1.00 25.12 H new ATOM 0 HB2 ASN A 19 -11.793 -2.680 -10.114 1.00 74.25 H new ATOM 0 HB3 ASN A 19 -11.727 -1.082 -10.829 1.00 74.25 H new ATOM 0 HD21 ASN A 19 -10.345 -4.211 -10.915 1.00 71.33 H new ATOM 0 HD22 ASN A 19 -9.078 -3.821 -12.083 1.00 71.33 H new ATOM 326 N PRO A 20 -10.534 -2.006 -6.709 1.00 23.35 N ATOM 327 CA PRO A 20 -10.469 -2.950 -5.588 1.00 43.04 C ATOM 328 C PRO A 20 -11.718 -3.818 -5.488 1.00 61.25 C ATOM 329 O PRO A 20 -12.800 -3.351 -5.131 1.00 72.43 O ATOM 330 CB PRO A 20 -10.350 -2.039 -4.364 1.00 54.43 C ATOM 331 CG PRO A 20 -10.972 -0.752 -4.788 1.00 23.44 C ATOM 332 CD PRO A 20 -10.675 -0.612 -6.255 1.00 34.33 C ATOM 0 HA PRO A 20 -9.643 -3.653 -5.694 1.00 43.04 H new ATOM 0 HB2 PRO A 20 -10.866 -2.463 -3.503 1.00 54.43 H new ATOM 0 HB3 PRO A 20 -9.309 -1.899 -4.074 1.00 54.43 H new ATOM 0 HG2 PRO A 20 -12.047 -0.760 -4.606 1.00 23.44 H new ATOM 0 HG3 PRO A 20 -10.559 0.085 -4.225 1.00 23.44 H new ATOM 0 HD2 PRO A 20 -11.480 -0.098 -6.781 1.00 34.33 H new ATOM 0 HD3 PRO A 20 -9.764 -0.039 -6.428 1.00 34.33 H new ATOM 340 N PRO A 21 -11.568 -5.111 -5.810 1.00 71.22 N ATOM 341 CA PRO A 21 -12.674 -6.072 -5.764 1.00 13.11 C ATOM 342 C PRO A 21 -13.117 -6.377 -4.337 1.00 3.51 C ATOM 343 O PRO A 21 -12.840 -5.611 -3.414 1.00 31.31 O ATOM 344 CB PRO A 21 -12.086 -7.323 -6.420 1.00 31.32 C ATOM 345 CG PRO A 21 -10.617 -7.207 -6.207 1.00 62.23 C ATOM 346 CD PRO A 21 -10.308 -5.736 -6.245 1.00 44.11 C ATOM 0 HA PRO A 21 -13.565 -5.692 -6.264 1.00 13.11 H new ATOM 0 HB2 PRO A 21 -12.481 -8.231 -5.966 1.00 31.32 H new ATOM 0 HB3 PRO A 21 -12.330 -7.365 -7.481 1.00 31.32 H new ATOM 0 HG2 PRO A 21 -10.326 -7.642 -5.251 1.00 62.23 H new ATOM 0 HG3 PRO A 21 -10.067 -7.741 -6.982 1.00 62.23 H new ATOM 0 HD2 PRO A 21 -9.483 -5.482 -5.580 1.00 44.11 H new ATOM 0 HD3 PRO A 21 -10.023 -5.411 -7.246 1.00 44.11 H new ATOM 354 N ARG A 22 -13.805 -7.501 -4.163 1.00 24.14 N ATOM 355 CA ARG A 22 -14.286 -7.906 -2.848 1.00 23.13 C ATOM 356 C ARG A 22 -13.119 -8.162 -1.897 1.00 75.21 C ATOM 357 O ARG A 22 -12.254 -8.993 -2.169 1.00 4.04 O ATOM 358 CB ARG A 22 -15.148 -9.164 -2.962 1.00 63.31 C ATOM 359 CG ARG A 22 -16.414 -8.962 -3.779 1.00 24.43 C ATOM 360 CD ARG A 22 -17.523 -9.902 -3.330 1.00 41.41 C ATOM 361 NE ARG A 22 -18.788 -9.614 -3.999 1.00 13.02 N ATOM 362 CZ ARG A 22 -19.971 -10.003 -3.533 1.00 3.50 C ATOM 363 NH1 ARG A 22 -20.048 -10.691 -2.403 1.00 51.41 N ATOM 364 NH2 ARG A 22 -21.078 -9.703 -4.199 1.00 40.32 N ATOM 0 H ARG A 22 -14.042 -8.147 -4.916 1.00 24.14 H new ATOM 0 HA ARG A 22 -14.891 -7.094 -2.445 1.00 23.13 H new ATOM 0 HB2 ARG A 22 -14.557 -9.960 -3.415 1.00 63.31 H new ATOM 0 HB3 ARG A 22 -15.421 -9.499 -1.961 1.00 63.31 H new ATOM 0 HG2 ARG A 22 -16.750 -7.929 -3.683 1.00 24.43 H new ATOM 0 HG3 ARG A 22 -16.198 -9.130 -4.834 1.00 24.43 H new ATOM 0 HD2 ARG A 22 -17.231 -10.932 -3.535 1.00 41.41 H new ATOM 0 HD3 ARG A 22 -17.656 -9.817 -2.251 1.00 41.41 H new ATOM 0 HE ARG A 22 -18.763 -9.086 -4.871 1.00 13.02 H new ATOM 0 HH11 ARG A 22 -19.198 -10.923 -1.888 1.00 51.41 H new ATOM 0 HH12 ARG A 22 -20.957 -10.988 -2.048 1.00 51.41 H new ATOM 0 HH21 ARG A 22 -21.022 -9.174 -5.069 1.00 40.32 H new ATOM 0 HH22 ARG A 22 -21.985 -10.002 -3.841 1.00 40.32 H new ATOM 378 N CYS A 23 -13.104 -7.439 -0.781 1.00 65.21 N ATOM 379 CA CYS A 23 -12.045 -7.586 0.210 1.00 45.15 C ATOM 380 C CYS A 23 -11.615 -9.044 0.337 1.00 31.30 C ATOM 381 O CYS A 23 -10.473 -9.340 0.689 1.00 73.22 O ATOM 382 CB CYS A 23 -12.511 -7.060 1.567 1.00 13.35 C ATOM 383 SG CYS A 23 -12.037 -5.333 1.900 1.00 44.33 S ATOM 0 H CYS A 23 -13.813 -6.746 -0.541 1.00 65.21 H new ATOM 0 HA CYS A 23 -11.187 -7.002 -0.123 1.00 45.15 H new ATOM 0 HB2 CYS A 23 -13.596 -7.145 1.624 1.00 13.35 H new ATOM 0 HB3 CYS A 23 -12.100 -7.696 2.351 1.00 13.35 H new ATOM 388 N THR A 24 -12.541 -9.955 0.047 1.00 11.12 N ATOM 389 CA THR A 24 -12.260 -11.382 0.130 1.00 32.41 C ATOM 390 C THR A 24 -11.359 -11.833 -1.015 1.00 14.12 C ATOM 391 O THR A 24 -10.312 -12.441 -0.790 1.00 52.13 O ATOM 392 CB THR A 24 -13.558 -12.213 0.104 1.00 53.52 C ATOM 393 OG1 THR A 24 -14.163 -12.217 1.402 1.00 4.32 O ATOM 394 CG2 THR A 24 -13.278 -13.642 -0.336 1.00 1.43 C ATOM 0 H THR A 24 -13.491 -9.728 -0.247 1.00 11.12 H new ATOM 0 HA THR A 24 -11.749 -11.548 1.078 1.00 32.41 H new ATOM 0 HB THR A 24 -14.241 -11.757 -0.613 1.00 53.52 H new ATOM 0 HG1 THR A 24 -14.988 -12.746 1.377 1.00 4.32 H new ATOM 0 HG21 THR A 24 -14.209 -14.209 -0.346 1.00 1.43 H new ATOM 0 HG22 THR A 24 -12.845 -13.637 -1.336 1.00 1.43 H new ATOM 0 HG23 THR A 24 -12.579 -14.106 0.359 1.00 1.43 H new ATOM 402 N ILE A 25 -11.773 -11.532 -2.240 1.00 40.01 N ATOM 403 CA ILE A 25 -11.002 -11.905 -3.420 1.00 53.50 C ATOM 404 C ILE A 25 -9.777 -11.010 -3.581 1.00 54.43 C ATOM 405 O ILE A 25 -8.673 -11.490 -3.833 1.00 22.54 O ATOM 406 CB ILE A 25 -11.855 -11.824 -4.700 1.00 13.15 C ATOM 407 CG1 ILE A 25 -13.261 -12.369 -4.437 1.00 24.22 C ATOM 408 CG2 ILE A 25 -11.186 -12.591 -5.831 1.00 34.32 C ATOM 409 CD1 ILE A 25 -14.134 -12.409 -5.671 1.00 0.45 C ATOM 0 H ILE A 25 -12.638 -11.031 -2.442 1.00 40.01 H new ATOM 0 HA ILE A 25 -10.680 -12.936 -3.273 1.00 53.50 H new ATOM 0 HB ILE A 25 -11.941 -10.779 -4.997 1.00 13.15 H new ATOM 0 HG12 ILE A 25 -13.181 -13.375 -4.026 1.00 24.22 H new ATOM 0 HG13 ILE A 25 -13.745 -11.753 -3.679 1.00 24.22 H new ATOM 0 HG21 ILE A 25 -11.800 -12.525 -6.729 1.00 34.32 H new ATOM 0 HG22 ILE A 25 -10.204 -12.162 -6.031 1.00 34.32 H new ATOM 0 HG23 ILE A 25 -11.073 -13.637 -5.545 1.00 34.32 H new ATOM 0 HD11 ILE A 25 -15.115 -12.806 -5.410 1.00 0.45 H new ATOM 0 HD12 ILE A 25 -14.245 -11.401 -6.071 1.00 0.45 H new ATOM 0 HD13 ILE A 25 -13.672 -13.049 -6.423 1.00 0.45 H new ATOM 421 N ALA A 26 -9.982 -9.705 -3.433 1.00 4.41 N ATOM 422 CA ALA A 26 -8.894 -8.742 -3.559 1.00 12.23 C ATOM 423 C ALA A 26 -7.613 -9.276 -2.925 1.00 40.21 C ATOM 424 O ALA A 26 -6.532 -9.163 -3.501 1.00 73.14 O ATOM 425 CB ALA A 26 -9.286 -7.417 -2.923 1.00 35.13 C ATOM 0 H ALA A 26 -10.891 -9.290 -3.226 1.00 4.41 H new ATOM 0 HA ALA A 26 -8.705 -8.581 -4.620 1.00 12.23 H new ATOM 0 HB1 ALA A 26 -8.465 -6.708 -3.024 1.00 35.13 H new ATOM 0 HB2 ALA A 26 -10.171 -7.021 -3.422 1.00 35.13 H new ATOM 0 HB3 ALA A 26 -9.504 -7.571 -1.866 1.00 35.13 H new ATOM 431 N MET A 27 -7.744 -9.856 -1.736 1.00 44.15 N ATOM 432 CA MET A 27 -6.595 -10.407 -1.026 1.00 52.14 C ATOM 433 C MET A 27 -6.285 -11.820 -1.509 1.00 0.15 C ATOM 434 O MET A 27 -5.789 -12.651 -0.748 1.00 30.05 O ATOM 435 CB MET A 27 -6.857 -10.415 0.481 1.00 61.30 C ATOM 436 CG MET A 27 -7.957 -11.378 0.901 1.00 44.01 C ATOM 437 SD MET A 27 -7.753 -11.969 2.592 1.00 24.44 S ATOM 438 CE MET A 27 -6.287 -12.985 2.421 1.00 51.53 C ATOM 0 H MET A 27 -8.632 -9.956 -1.245 1.00 44.15 H new ATOM 0 HA MET A 27 -5.732 -9.774 -1.234 1.00 52.14 H new ATOM 0 HB2 MET A 27 -5.936 -10.679 1.000 1.00 61.30 H new ATOM 0 HB3 MET A 27 -7.125 -9.408 0.800 1.00 61.30 H new ATOM 0 HG2 MET A 27 -8.924 -10.883 0.807 1.00 44.01 H new ATOM 0 HG3 MET A 27 -7.968 -12.230 0.221 1.00 44.01 H new ATOM 0 HE1 MET A 27 -6.563 -14.037 2.492 1.00 51.53 H new ATOM 0 HE2 MET A 27 -5.824 -12.796 1.452 1.00 51.53 H new ATOM 0 HE3 MET A 27 -5.581 -12.741 3.214 1.00 51.53 H new ATOM 448 N ARG A 28 -6.580 -12.086 -2.777 1.00 44.23 N ATOM 449 CA ARG A 28 -6.333 -13.399 -3.359 1.00 63.43 C ATOM 450 C ARG A 28 -4.884 -13.525 -3.824 1.00 32.20 C ATOM 451 O ARG A 28 -4.063 -14.158 -3.162 1.00 63.34 O ATOM 452 CB ARG A 28 -7.279 -13.645 -4.536 1.00 74.11 C ATOM 453 CG ARG A 28 -8.650 -14.152 -4.119 1.00 21.03 C ATOM 454 CD ARG A 28 -8.694 -15.672 -4.080 1.00 45.31 C ATOM 455 NE ARG A 28 -9.778 -16.168 -3.237 1.00 11.51 N ATOM 456 CZ ARG A 28 -9.860 -17.422 -2.807 1.00 14.11 C ATOM 457 NH1 ARG A 28 -8.927 -18.302 -3.139 1.00 25.51 N ATOM 458 NH2 ARG A 28 -10.878 -17.797 -2.043 1.00 34.13 N ATOM 0 H ARG A 28 -6.990 -11.410 -3.421 1.00 44.23 H new ATOM 0 HA ARG A 28 -6.517 -14.149 -2.590 1.00 63.43 H new ATOM 0 HB2 ARG A 28 -7.399 -12.717 -5.095 1.00 74.11 H new ATOM 0 HB3 ARG A 28 -6.824 -14.368 -5.212 1.00 74.11 H new ATOM 0 HG2 ARG A 28 -8.903 -13.754 -3.136 1.00 21.03 H new ATOM 0 HG3 ARG A 28 -9.403 -13.783 -4.815 1.00 21.03 H new ATOM 0 HD2 ARG A 28 -8.817 -16.057 -5.092 1.00 45.31 H new ATOM 0 HD3 ARG A 28 -7.743 -16.052 -3.708 1.00 45.31 H new ATOM 0 HE ARG A 28 -10.513 -15.516 -2.963 1.00 11.51 H new ATOM 0 HH11 ARG A 28 -8.143 -18.017 -3.726 1.00 25.51 H new ATOM 0 HH12 ARG A 28 -8.992 -19.264 -2.807 1.00 25.51 H new ATOM 0 HH21 ARG A 28 -11.598 -17.122 -1.786 1.00 34.13 H new ATOM 0 HH22 ARG A 28 -10.940 -18.760 -1.713 1.00 34.13 H new ATOM 472 N ALA A 29 -4.580 -12.917 -4.966 1.00 51.01 N ATOM 473 CA ALA A 29 -3.231 -12.960 -5.518 1.00 2.32 C ATOM 474 C ALA A 29 -2.242 -12.241 -4.606 1.00 20.43 C ATOM 475 O ALA A 29 -1.061 -12.587 -4.562 1.00 63.50 O ATOM 476 CB ALA A 29 -3.211 -12.345 -6.910 1.00 4.42 C ATOM 0 H ALA A 29 -5.249 -12.389 -5.527 1.00 51.01 H new ATOM 0 HA ALA A 29 -2.927 -14.004 -5.589 1.00 2.32 H new ATOM 0 HB1 ALA A 29 -2.198 -12.384 -7.310 1.00 4.42 H new ATOM 0 HB2 ALA A 29 -3.881 -12.903 -7.564 1.00 4.42 H new ATOM 0 HB3 ALA A 29 -3.540 -11.307 -6.854 1.00 4.42 H new ATOM 482 N ILE A 30 -2.731 -11.242 -3.882 1.00 13.50 N ATOM 483 CA ILE A 30 -1.889 -10.475 -2.971 1.00 12.23 C ATOM 484 C ILE A 30 -1.349 -11.356 -1.851 1.00 4.54 C ATOM 485 O ILE A 30 -0.157 -11.657 -1.804 1.00 42.13 O ATOM 486 CB ILE A 30 -2.659 -9.293 -2.353 1.00 73.21 C ATOM 487 CG1 ILE A 30 -3.562 -8.640 -3.401 1.00 75.13 C ATOM 488 CG2 ILE A 30 -1.689 -8.274 -1.774 1.00 0.01 C ATOM 489 CD1 ILE A 30 -2.852 -8.324 -4.699 1.00 3.13 C ATOM 0 H ILE A 30 -3.706 -10.944 -3.908 1.00 13.50 H new ATOM 0 HA ILE A 30 -1.057 -10.088 -3.560 1.00 12.23 H new ATOM 0 HB ILE A 30 -3.286 -9.670 -1.545 1.00 73.21 H new ATOM 0 HG12 ILE A 30 -4.402 -9.303 -3.608 1.00 75.13 H new ATOM 0 HG13 ILE A 30 -3.976 -7.719 -2.989 1.00 75.13 H new ATOM 0 HG21 ILE A 30 -2.248 -7.445 -1.341 1.00 0.01 H new ATOM 0 HG22 ILE A 30 -1.084 -8.747 -1.001 1.00 0.01 H new ATOM 0 HG23 ILE A 30 -1.039 -7.900 -2.565 1.00 0.01 H new ATOM 0 HD11 ILE A 30 -3.553 -7.863 -5.395 1.00 3.13 H new ATOM 0 HD12 ILE A 30 -2.029 -7.637 -4.505 1.00 3.13 H new ATOM 0 HD13 ILE A 30 -2.462 -9.244 -5.134 1.00 3.13 H new ATOM 501 N ASN A 31 -2.234 -11.767 -0.949 1.00 20.13 N ATOM 502 CA ASN A 31 -1.845 -12.616 0.173 1.00 53.14 C ATOM 503 C ASN A 31 -1.014 -13.802 -0.306 1.00 43.12 C ATOM 504 O ASN A 31 -0.319 -14.444 0.481 1.00 41.32 O ATOM 505 CB ASN A 31 -3.087 -13.115 0.915 1.00 5.24 C ATOM 506 CG ASN A 31 -3.455 -12.227 2.088 1.00 50.42 C ATOM 507 OD1 ASN A 31 -3.366 -12.638 3.245 1.00 63.15 O ATOM 508 ND2 ASN A 31 -3.871 -11.002 1.792 1.00 15.32 N ATOM 0 H ASN A 31 -3.225 -11.527 -0.972 1.00 20.13 H new ATOM 0 HA ASN A 31 -1.237 -12.021 0.854 1.00 53.14 H new ATOM 0 HB2 ASN A 31 -3.927 -13.163 0.221 1.00 5.24 H new ATOM 0 HB3 ASN A 31 -2.910 -14.130 1.272 1.00 5.24 H new ATOM 0 HD21 ASN A 31 -4.133 -10.358 2.538 1.00 15.32 H new ATOM 0 HD22 ASN A 31 -3.929 -10.704 0.818 1.00 15.32 H new ATOM 515 N ASN A 32 -1.090 -14.087 -1.602 1.00 2.21 N ATOM 516 CA ASN A 32 -0.345 -15.197 -2.186 1.00 43.44 C ATOM 517 C ASN A 32 1.140 -15.091 -1.849 1.00 21.14 C ATOM 518 O ASN A 32 1.892 -16.054 -2.001 1.00 74.25 O ATOM 519 CB ASN A 32 -0.533 -15.222 -3.704 1.00 50.22 C ATOM 520 CG ASN A 32 -0.286 -16.597 -4.294 1.00 70.22 C ATOM 521 OD1 ASN A 32 -0.497 -17.615 -3.634 1.00 71.11 O ATOM 522 ND2 ASN A 32 0.164 -16.632 -5.543 1.00 31.42 N ATOM 0 H ASN A 32 -1.660 -13.565 -2.268 1.00 2.21 H new ATOM 0 HA ASN A 32 -0.732 -16.124 -1.763 1.00 43.44 H new ATOM 0 HB2 ASN A 32 -1.546 -14.902 -3.947 1.00 50.22 H new ATOM 0 HB3 ASN A 32 0.147 -14.505 -4.164 1.00 50.22 H new ATOM 0 HD21 ASN A 32 0.349 -17.528 -5.993 1.00 31.42 H new ATOM 0 HD22 ASN A 32 0.324 -15.763 -6.052 1.00 31.42 H new ATOM 529 N TYR A 33 1.554 -13.916 -1.389 1.00 63.12 N ATOM 530 CA TYR A 33 2.950 -13.684 -1.032 1.00 32.22 C ATOM 531 C TYR A 33 3.347 -14.519 0.181 1.00 11.25 C ATOM 532 O TYR A 33 4.523 -14.824 0.381 1.00 71.53 O ATOM 533 CB TYR A 33 3.183 -12.200 -0.743 1.00 1.23 C ATOM 534 CG TYR A 33 2.312 -11.654 0.365 1.00 33.13 C ATOM 535 CD1 TYR A 33 2.425 -12.133 1.665 1.00 42.44 C ATOM 536 CD2 TYR A 33 1.376 -10.659 0.114 1.00 62.12 C ATOM 537 CE1 TYR A 33 1.631 -11.638 2.680 1.00 11.32 C ATOM 538 CE2 TYR A 33 0.578 -10.156 1.123 1.00 22.50 C ATOM 539 CZ TYR A 33 0.709 -10.649 2.405 1.00 0.11 C ATOM 540 OH TYR A 33 -0.084 -10.152 3.414 1.00 61.11 O ATOM 0 H TYR A 33 0.944 -13.109 -1.254 1.00 63.12 H new ATOM 0 HA TYR A 33 3.571 -13.985 -1.876 1.00 32.22 H new ATOM 0 HB2 TYR A 33 4.230 -12.050 -0.478 1.00 1.23 H new ATOM 0 HB3 TYR A 33 3.000 -11.628 -1.653 1.00 1.23 H new ATOM 0 HD1 TYR A 33 3.147 -12.906 1.885 1.00 42.44 H new ATOM 0 HD2 TYR A 33 1.270 -10.271 -0.889 1.00 62.12 H new ATOM 0 HE1 TYR A 33 1.731 -12.023 3.684 1.00 11.32 H new ATOM 0 HE2 TYR A 33 -0.144 -9.382 0.910 1.00 22.50 H new ATOM 0 HH TYR A 33 -0.678 -9.461 3.053 1.00 61.11 H new ATOM 550 N ARG A 34 2.357 -14.885 0.989 1.00 3.31 N ATOM 551 CA ARG A 34 2.602 -15.684 2.184 1.00 43.21 C ATOM 552 C ARG A 34 1.409 -16.584 2.490 1.00 62.22 C ATOM 553 O ARG A 34 0.422 -16.595 1.754 1.00 14.11 O ATOM 554 CB ARG A 34 2.890 -14.776 3.381 1.00 40.14 C ATOM 555 CG ARG A 34 4.327 -14.286 3.441 1.00 51.54 C ATOM 556 CD ARG A 34 5.246 -15.325 4.065 1.00 14.40 C ATOM 557 NE ARG A 34 6.596 -14.808 4.271 1.00 62.43 N ATOM 558 CZ ARG A 34 7.641 -15.576 4.560 1.00 71.30 C ATOM 559 NH1 ARG A 34 7.490 -16.888 4.677 1.00 45.30 N ATOM 560 NH2 ARG A 34 8.838 -15.032 4.734 1.00 61.52 N ATOM 0 H ARG A 34 1.378 -14.641 0.838 1.00 3.31 H new ATOM 0 HA ARG A 34 3.472 -16.314 1.997 1.00 43.21 H new ATOM 0 HB2 ARG A 34 2.223 -13.915 3.342 1.00 40.14 H new ATOM 0 HB3 ARG A 34 2.660 -15.316 4.300 1.00 40.14 H new ATOM 0 HG2 ARG A 34 4.674 -14.050 2.435 1.00 51.54 H new ATOM 0 HG3 ARG A 34 4.374 -13.363 4.019 1.00 51.54 H new ATOM 0 HD2 ARG A 34 4.832 -15.648 5.020 1.00 14.40 H new ATOM 0 HD3 ARG A 34 5.289 -16.204 3.422 1.00 14.40 H new ATOM 0 HE ARG A 34 6.745 -13.802 4.189 1.00 62.43 H new ATOM 0 HH11 ARG A 34 6.570 -17.309 4.545 1.00 45.30 H new ATOM 0 HH12 ARG A 34 8.293 -17.476 4.899 1.00 45.30 H new ATOM 0 HH21 ARG A 34 8.957 -14.023 4.646 1.00 61.52 H new ATOM 0 HH22 ARG A 34 9.639 -15.623 4.956 1.00 61.52 H new ATOM 574 N TRP A 35 1.508 -17.339 3.578 1.00 15.44 N ATOM 575 CA TRP A 35 0.436 -18.243 3.982 1.00 41.23 C ATOM 576 C TRP A 35 -0.423 -17.615 5.073 1.00 35.21 C ATOM 577 O TRP A 35 -1.427 -18.191 5.492 1.00 15.22 O ATOM 578 CB TRP A 35 1.019 -19.569 4.473 1.00 2.12 C ATOM 579 CG TRP A 35 1.547 -20.432 3.368 1.00 32.22 C ATOM 580 CD1 TRP A 35 2.858 -20.676 3.074 1.00 72.43 C ATOM 581 CD2 TRP A 35 0.775 -21.164 2.409 1.00 55.22 C ATOM 582 NE1 TRP A 35 2.947 -21.516 1.989 1.00 41.20 N ATOM 583 CE2 TRP A 35 1.684 -21.830 1.563 1.00 50.12 C ATOM 584 CE3 TRP A 35 -0.595 -21.322 2.183 1.00 71.30 C ATOM 585 CZ2 TRP A 35 1.265 -22.639 0.511 1.00 42.14 C ATOM 586 CZ3 TRP A 35 -1.009 -22.126 1.138 1.00 44.22 C ATOM 587 CH2 TRP A 35 -0.082 -22.776 0.313 1.00 41.02 C ATOM 0 H TRP A 35 2.319 -17.344 4.196 1.00 15.44 H new ATOM 0 HA TRP A 35 -0.195 -18.431 3.113 1.00 41.23 H new ATOM 0 HB2 TRP A 35 1.823 -19.364 5.180 1.00 2.12 H new ATOM 0 HB3 TRP A 35 0.249 -20.117 5.016 1.00 2.12 H new ATOM 0 HD1 TRP A 35 3.700 -20.269 3.614 1.00 72.43 H new ATOM 0 HE1 TRP A 35 3.814 -21.851 1.569 1.00 41.20 H new ATOM 0 HE3 TRP A 35 -1.317 -20.825 2.814 1.00 71.30 H new ATOM 0 HZ2 TRP A 35 1.978 -23.141 -0.127 1.00 42.14 H new ATOM 0 HZ3 TRP A 35 -2.065 -22.255 0.954 1.00 44.22 H new ATOM 0 HH2 TRP A 35 -0.438 -23.398 -0.495 1.00 41.02 H new ATOM 598 N ARG A 36 -0.024 -16.432 5.528 1.00 32.44 N ATOM 599 CA ARG A 36 -0.759 -15.728 6.572 1.00 15.11 C ATOM 600 C ARG A 36 -1.437 -14.480 6.012 1.00 5.33 C ATOM 601 O ARG A 36 -1.237 -14.120 4.852 1.00 75.54 O ATOM 602 CB ARG A 36 0.181 -15.341 7.715 1.00 3.00 C ATOM 603 CG ARG A 36 1.351 -14.475 7.275 1.00 31.13 C ATOM 604 CD ARG A 36 2.093 -13.894 8.468 1.00 22.33 C ATOM 605 NE ARG A 36 3.197 -13.030 8.058 1.00 21.12 N ATOM 606 CZ ARG A 36 4.147 -12.609 8.886 1.00 52.44 C ATOM 607 NH1 ARG A 36 4.128 -12.970 10.161 1.00 30.01 N ATOM 608 NH2 ARG A 36 5.119 -11.823 8.437 1.00 35.33 N ATOM 0 H ARG A 36 0.804 -15.941 5.190 1.00 32.44 H new ATOM 0 HA ARG A 36 -1.529 -16.398 6.955 1.00 15.11 H new ATOM 0 HB2 ARG A 36 -0.388 -14.809 8.477 1.00 3.00 H new ATOM 0 HB3 ARG A 36 0.566 -16.248 8.180 1.00 3.00 H new ATOM 0 HG2 ARG A 36 2.038 -15.069 6.672 1.00 31.13 H new ATOM 0 HG3 ARG A 36 0.988 -13.666 6.641 1.00 31.13 H new ATOM 0 HD2 ARG A 36 1.398 -13.325 9.085 1.00 22.33 H new ATOM 0 HD3 ARG A 36 2.478 -14.705 9.086 1.00 22.33 H new ATOM 0 HE ARG A 36 3.241 -12.734 7.083 1.00 21.12 H new ATOM 0 HH11 ARG A 36 3.383 -13.573 10.509 1.00 30.01 H new ATOM 0 HH12 ARG A 36 4.859 -12.645 10.794 1.00 30.01 H new ATOM 0 HH21 ARG A 36 5.136 -11.543 7.456 1.00 35.33 H new ATOM 0 HH22 ARG A 36 5.848 -11.500 9.073 1.00 35.33 H new ATOM 622 N CYS A 37 -2.239 -13.825 6.844 1.00 4.34 N ATOM 623 CA CYS A 37 -2.947 -12.618 6.435 1.00 65.34 C ATOM 624 C CYS A 37 -2.377 -11.388 7.134 1.00 4.45 C ATOM 625 O CYS A 37 -1.768 -11.493 8.200 1.00 51.24 O ATOM 626 CB CYS A 37 -4.440 -12.749 6.742 1.00 50.33 C ATOM 627 SG CYS A 37 -5.517 -11.815 5.609 1.00 52.12 S ATOM 0 H CYS A 37 -2.415 -14.110 7.807 1.00 4.34 H new ATOM 0 HA CYS A 37 -2.814 -12.495 5.360 1.00 65.34 H new ATOM 0 HB2 CYS A 37 -4.717 -13.803 6.703 1.00 50.33 H new ATOM 0 HB3 CYS A 37 -4.622 -12.409 7.762 1.00 50.33 H new ATOM 632 N LYS A 38 -2.579 -10.224 6.529 1.00 51.44 N ATOM 633 CA LYS A 38 -2.087 -8.972 7.093 1.00 13.22 C ATOM 634 C LYS A 38 -3.122 -8.353 8.028 1.00 13.32 C ATOM 635 O LYS A 38 -4.324 -8.565 7.866 1.00 42.50 O ATOM 636 CB LYS A 38 -1.740 -7.986 5.976 1.00 64.33 C ATOM 637 CG LYS A 38 -0.566 -7.081 6.307 1.00 72.45 C ATOM 638 CD LYS A 38 -1.024 -5.793 6.971 1.00 30.42 C ATOM 639 CE LYS A 38 -0.018 -4.671 6.765 1.00 24.40 C ATOM 640 NZ LYS A 38 -0.223 -3.559 7.734 1.00 44.22 N ATOM 0 H LYS A 38 -3.081 -10.120 5.647 1.00 51.44 H new ATOM 0 HA LYS A 38 -1.187 -9.191 7.668 1.00 13.22 H new ATOM 0 HB2 LYS A 38 -1.513 -8.544 5.068 1.00 64.33 H new ATOM 0 HB3 LYS A 38 -2.614 -7.370 5.762 1.00 64.33 H new ATOM 0 HG2 LYS A 38 0.124 -7.606 6.967 1.00 72.45 H new ATOM 0 HG3 LYS A 38 -0.018 -6.846 5.394 1.00 72.45 H new ATOM 0 HD2 LYS A 38 -1.990 -5.496 6.563 1.00 30.42 H new ATOM 0 HD3 LYS A 38 -1.167 -5.963 8.038 1.00 30.42 H new ATOM 0 HE2 LYS A 38 0.993 -5.065 6.872 1.00 24.40 H new ATOM 0 HE3 LYS A 38 -0.104 -4.288 5.748 1.00 24.40 H new ATOM 0 HZ1 LYS A 38 0.513 -2.837 7.595 1.00 44.22 H new ATOM 0 HZ2 LYS A 38 -1.159 -3.133 7.581 1.00 44.22 H new ATOM 0 HZ3 LYS A 38 -0.166 -3.929 8.704 1.00 44.22 H new ATOM 654 N ASN A 39 -2.648 -7.586 9.004 1.00 2.24 N ATOM 655 CA ASN A 39 -3.533 -6.936 9.964 1.00 12.22 C ATOM 656 C ASN A 39 -4.481 -5.969 9.261 1.00 10.21 C ATOM 657 O ASN A 39 -5.673 -5.925 9.561 1.00 15.44 O ATOM 658 CB ASN A 39 -2.715 -6.189 11.019 1.00 33.44 C ATOM 659 CG ASN A 39 -1.363 -6.833 11.265 1.00 75.42 C ATOM 660 OD1 ASN A 39 -0.321 -6.222 11.028 1.00 71.34 O ATOM 661 ND2 ASN A 39 -1.376 -8.072 11.742 1.00 64.24 N ATOM 0 H ASN A 39 -1.656 -7.399 9.151 1.00 2.24 H new ATOM 0 HA ASN A 39 -4.127 -7.708 10.454 1.00 12.22 H new ATOM 0 HB2 ASN A 39 -2.570 -5.157 10.699 1.00 33.44 H new ATOM 0 HB3 ASN A 39 -3.275 -6.157 11.954 1.00 33.44 H new ATOM 0 HD21 ASN A 39 -0.498 -8.556 11.927 1.00 64.24 H new ATOM 0 HD22 ASN A 39 -2.264 -8.539 11.923 1.00 64.24 H new ATOM 668 N GLN A 40 -3.941 -5.196 8.324 1.00 61.02 N ATOM 669 CA GLN A 40 -4.739 -4.230 7.579 1.00 44.04 C ATOM 670 C GLN A 40 -4.092 -3.911 6.234 1.00 25.34 C ATOM 671 O GLN A 40 -2.916 -3.560 6.168 1.00 64.13 O ATOM 672 CB GLN A 40 -4.911 -2.945 8.391 1.00 31.00 C ATOM 673 CG GLN A 40 -6.214 -2.890 9.172 1.00 62.02 C ATOM 674 CD GLN A 40 -7.329 -2.213 8.400 1.00 41.34 C ATOM 675 OE1 GLN A 40 -7.619 -2.575 7.259 1.00 32.52 O ATOM 676 NE2 GLN A 40 -7.961 -1.223 9.019 1.00 53.14 N ATOM 0 H GLN A 40 -2.955 -5.220 8.063 1.00 61.02 H new ATOM 0 HA GLN A 40 -5.719 -4.671 7.396 1.00 44.04 H new ATOM 0 HB2 GLN A 40 -4.076 -2.849 9.085 1.00 31.00 H new ATOM 0 HB3 GLN A 40 -4.865 -2.090 7.717 1.00 31.00 H new ATOM 0 HG2 GLN A 40 -6.520 -3.903 9.432 1.00 62.02 H new ATOM 0 HG3 GLN A 40 -6.050 -2.357 10.108 1.00 62.02 H new ATOM 0 HE21 GLN A 40 -7.688 -0.956 9.965 1.00 53.14 H new ATOM 0 HE22 GLN A 40 -8.720 -0.729 8.549 1.00 53.14 H new ATOM 685 N ASN A 41 -4.871 -4.039 5.164 1.00 3.35 N ATOM 686 CA ASN A 41 -4.373 -3.767 3.820 1.00 12.50 C ATOM 687 C ASN A 41 -5.238 -2.722 3.122 1.00 53.03 C ATOM 688 O ASN A 41 -6.386 -2.987 2.765 1.00 21.44 O ATOM 689 CB ASN A 41 -4.342 -5.055 2.995 1.00 53.43 C ATOM 690 CG ASN A 41 -4.040 -4.795 1.531 1.00 22.32 C ATOM 691 OD1 ASN A 41 -4.054 -3.651 1.076 1.00 73.51 O ATOM 692 ND2 ASN A 41 -3.764 -5.860 0.787 1.00 5.30 N ATOM 0 H ASN A 41 -5.848 -4.329 5.201 1.00 3.35 H new ATOM 0 HA ASN A 41 -3.360 -3.375 3.906 1.00 12.50 H new ATOM 0 HB2 ASN A 41 -3.589 -5.728 3.405 1.00 53.43 H new ATOM 0 HB3 ASN A 41 -5.303 -5.562 3.081 1.00 53.43 H new ATOM 0 HD21 ASN A 41 -3.552 -5.748 -0.204 1.00 5.30 H new ATOM 0 HD22 ASN A 41 -3.764 -6.789 1.207 1.00 5.30 H new ATOM 699 N THR A 42 -4.678 -1.531 2.929 1.00 34.11 N ATOM 700 CA THR A 42 -5.398 -0.446 2.273 1.00 43.31 C ATOM 701 C THR A 42 -4.951 -0.286 0.825 1.00 71.03 C ATOM 702 O THR A 42 -3.766 -0.101 0.547 1.00 64.32 O ATOM 703 CB THR A 42 -5.194 0.890 3.013 1.00 61.44 C ATOM 704 OG1 THR A 42 -5.850 0.852 4.285 1.00 60.11 O ATOM 705 CG2 THR A 42 -5.735 2.051 2.192 1.00 63.22 C ATOM 0 H THR A 42 -3.729 -1.294 3.218 1.00 34.11 H new ATOM 0 HA THR A 42 -6.456 -0.708 2.296 1.00 43.31 H new ATOM 0 HB THR A 42 -4.124 1.038 3.162 1.00 61.44 H new ATOM 0 HG1 THR A 42 -5.179 0.825 4.999 1.00 60.11 H new ATOM 0 HG21 THR A 42 -5.580 2.984 2.734 1.00 63.22 H new ATOM 0 HG22 THR A 42 -5.212 2.096 1.237 1.00 63.22 H new ATOM 0 HG23 THR A 42 -6.801 1.907 2.016 1.00 63.22 H new ATOM 713 N PHE A 43 -5.907 -0.358 -0.095 1.00 71.14 N ATOM 714 CA PHE A 43 -5.611 -0.222 -1.517 1.00 62.24 C ATOM 715 C PHE A 43 -6.096 1.124 -2.047 1.00 33.12 C ATOM 716 O PHE A 43 -7.301 1.373 -2.132 1.00 44.55 O ATOM 717 CB PHE A 43 -6.263 -1.358 -2.307 1.00 24.51 C ATOM 718 CG PHE A 43 -6.251 -2.674 -1.584 1.00 20.24 C ATOM 719 CD1 PHE A 43 -7.084 -2.892 -0.498 1.00 71.02 C ATOM 720 CD2 PHE A 43 -5.406 -3.696 -1.989 1.00 11.41 C ATOM 721 CE1 PHE A 43 -7.075 -4.101 0.170 1.00 63.34 C ATOM 722 CE2 PHE A 43 -5.392 -4.908 -1.325 1.00 30.13 C ATOM 723 CZ PHE A 43 -6.229 -5.111 -0.245 1.00 65.22 C ATOM 0 H PHE A 43 -6.893 -0.510 0.118 1.00 71.14 H new ATOM 0 HA PHE A 43 -4.530 -0.275 -1.644 1.00 62.24 H new ATOM 0 HB2 PHE A 43 -7.294 -1.087 -2.534 1.00 24.51 H new ATOM 0 HB3 PHE A 43 -5.746 -1.471 -3.260 1.00 24.51 H new ATOM 0 HD1 PHE A 43 -7.749 -2.107 -0.170 1.00 71.02 H new ATOM 0 HD2 PHE A 43 -4.751 -3.543 -2.834 1.00 11.41 H new ATOM 0 HE1 PHE A 43 -7.729 -4.256 1.016 1.00 63.34 H new ATOM 0 HE2 PHE A 43 -4.728 -5.695 -1.650 1.00 30.13 H new ATOM 0 HZ PHE A 43 -6.222 -6.058 0.274 1.00 65.22 H new ATOM 733 N LEU A 44 -5.153 1.990 -2.401 1.00 31.03 N ATOM 734 CA LEU A 44 -5.483 3.312 -2.922 1.00 30.42 C ATOM 735 C LEU A 44 -5.814 3.243 -4.410 1.00 14.53 C ATOM 736 O LEU A 44 -5.039 2.713 -5.205 1.00 4.12 O ATOM 737 CB LEU A 44 -4.319 4.278 -2.691 1.00 33.52 C ATOM 738 CG LEU A 44 -3.424 3.975 -1.489 1.00 33.52 C ATOM 739 CD1 LEU A 44 -2.477 5.135 -1.223 1.00 31.31 C ATOM 740 CD2 LEU A 44 -4.267 3.679 -0.257 1.00 32.31 C ATOM 0 H LEU A 44 -4.153 1.800 -2.337 1.00 31.03 H new ATOM 0 HA LEU A 44 -6.361 3.677 -2.389 1.00 30.42 H new ATOM 0 HB2 LEU A 44 -3.699 4.289 -3.587 1.00 33.52 H new ATOM 0 HB3 LEU A 44 -4.725 5.283 -2.572 1.00 33.52 H new ATOM 0 HG LEU A 44 -2.828 3.091 -1.718 1.00 33.52 H new ATOM 0 HD11 LEU A 44 -1.848 4.901 -0.364 1.00 31.31 H new ATOM 0 HD12 LEU A 44 -1.849 5.300 -2.099 1.00 31.31 H new ATOM 0 HD13 LEU A 44 -3.054 6.036 -1.015 1.00 31.31 H new ATOM 0 HD21 LEU A 44 -3.613 3.466 0.589 1.00 32.31 H new ATOM 0 HD22 LEU A 44 -4.889 4.544 -0.026 1.00 32.31 H new ATOM 0 HD23 LEU A 44 -4.903 2.815 -0.450 1.00 32.31 H new ATOM 752 N ARG A 45 -6.971 3.786 -4.777 1.00 65.34 N ATOM 753 CA ARG A 45 -7.404 3.787 -6.170 1.00 3.24 C ATOM 754 C ARG A 45 -6.579 4.770 -6.995 1.00 63.53 C ATOM 755 O ARG A 45 -7.030 5.874 -7.299 1.00 61.24 O ATOM 756 CB ARG A 45 -8.888 4.147 -6.264 1.00 3.04 C ATOM 757 CG ARG A 45 -9.791 3.214 -5.473 1.00 34.02 C ATOM 758 CD ARG A 45 -11.257 3.437 -5.813 1.00 44.31 C ATOM 759 NE ARG A 45 -11.521 3.260 -7.238 1.00 72.21 N ATOM 760 CZ ARG A 45 -12.548 3.817 -7.870 1.00 22.22 C ATOM 761 NH1 ARG A 45 -13.403 4.582 -7.206 1.00 42.32 N ATOM 762 NH2 ARG A 45 -12.721 3.607 -9.169 1.00 14.41 N ATOM 0 H ARG A 45 -7.624 4.230 -4.131 1.00 65.34 H new ATOM 0 HA ARG A 45 -7.253 2.785 -6.572 1.00 3.24 H new ATOM 0 HB2 ARG A 45 -9.030 5.167 -5.906 1.00 3.04 H new ATOM 0 HB3 ARG A 45 -9.191 4.132 -7.311 1.00 3.04 H new ATOM 0 HG2 ARG A 45 -9.521 2.179 -5.684 1.00 34.02 H new ATOM 0 HG3 ARG A 45 -9.635 3.373 -4.406 1.00 34.02 H new ATOM 0 HD2 ARG A 45 -11.872 2.742 -5.241 1.00 44.31 H new ATOM 0 HD3 ARG A 45 -11.550 4.443 -5.512 1.00 44.31 H new ATOM 0 HE ARG A 45 -10.882 2.677 -7.778 1.00 72.21 H new ATOM 0 HH11 ARG A 45 -13.273 4.744 -6.207 1.00 42.32 H new ATOM 0 HH12 ARG A 45 -14.191 5.009 -7.694 1.00 42.32 H new ATOM 0 HH21 ARG A 45 -12.065 3.018 -9.682 1.00 14.41 H new ATOM 0 HH22 ARG A 45 -13.510 4.035 -9.654 1.00 14.41 H new ATOM 776 N THR A 46 -5.366 4.360 -7.355 1.00 31.32 N ATOM 777 CA THR A 46 -4.477 5.204 -8.143 1.00 20.31 C ATOM 778 C THR A 46 -3.324 4.394 -8.725 1.00 3.53 C ATOM 779 O THR A 46 -2.937 3.361 -8.177 1.00 71.35 O ATOM 780 CB THR A 46 -3.905 6.359 -7.301 1.00 1.44 C ATOM 781 OG1 THR A 46 -3.559 7.460 -8.149 1.00 1.35 O ATOM 782 CG2 THR A 46 -2.679 5.906 -6.523 1.00 24.20 C ATOM 0 H THR A 46 -4.977 3.448 -7.113 1.00 31.32 H new ATOM 0 HA THR A 46 -5.073 5.619 -8.956 1.00 20.31 H new ATOM 0 HB THR A 46 -4.670 6.675 -6.591 1.00 1.44 H new ATOM 0 HG1 THR A 46 -3.505 8.280 -7.615 1.00 1.35 H new ATOM 0 HG21 THR A 46 -2.293 6.739 -5.936 1.00 24.20 H new ATOM 0 HG22 THR A 46 -2.953 5.088 -5.856 1.00 24.20 H new ATOM 0 HG23 THR A 46 -1.912 5.566 -7.219 1.00 24.20 H new ATOM 790 N THR A 47 -2.774 4.871 -9.838 1.00 25.51 N ATOM 791 CA THR A 47 -1.664 4.192 -10.494 1.00 23.42 C ATOM 792 C THR A 47 -0.350 4.456 -9.767 1.00 70.22 C ATOM 793 O THR A 47 -0.205 5.463 -9.072 1.00 20.40 O ATOM 794 CB THR A 47 -1.523 4.635 -11.962 1.00 65.42 C ATOM 795 OG1 THR A 47 -1.999 5.975 -12.117 1.00 52.45 O ATOM 796 CG2 THR A 47 -2.300 3.706 -12.884 1.00 41.14 C ATOM 0 H THR A 47 -3.080 5.725 -10.304 1.00 25.51 H new ATOM 0 HA THR A 47 -1.885 3.125 -10.464 1.00 23.42 H new ATOM 0 HB THR A 47 -0.468 4.591 -12.232 1.00 65.42 H new ATOM 0 HG1 THR A 47 -1.744 6.505 -11.333 1.00 52.45 H new ATOM 0 HG21 THR A 47 -2.186 4.038 -13.916 1.00 41.14 H new ATOM 0 HG22 THR A 47 -1.916 2.691 -12.785 1.00 41.14 H new ATOM 0 HG23 THR A 47 -3.355 3.723 -12.612 1.00 41.14 H new ATOM 804 N PHE A 48 0.605 3.547 -9.932 1.00 23.23 N ATOM 805 CA PHE A 48 1.907 3.682 -9.290 1.00 1.00 C ATOM 806 C PHE A 48 2.507 5.059 -9.561 1.00 32.21 C ATOM 807 O PHE A 48 3.237 5.603 -8.733 1.00 53.43 O ATOM 808 CB PHE A 48 2.860 2.592 -9.786 1.00 33.11 C ATOM 809 CG PHE A 48 3.871 2.167 -8.760 1.00 40.23 C ATOM 810 CD1 PHE A 48 3.469 1.774 -7.494 1.00 30.35 C ATOM 811 CD2 PHE A 48 5.223 2.159 -9.062 1.00 61.14 C ATOM 812 CE1 PHE A 48 4.397 1.382 -6.548 1.00 21.22 C ATOM 813 CE2 PHE A 48 6.156 1.769 -8.119 1.00 63.54 C ATOM 814 CZ PHE A 48 5.742 1.379 -6.861 1.00 61.12 C ATOM 0 H PHE A 48 0.502 2.709 -10.505 1.00 23.23 H new ATOM 0 HA PHE A 48 1.767 3.571 -8.215 1.00 1.00 H new ATOM 0 HB2 PHE A 48 2.277 1.723 -10.092 1.00 33.11 H new ATOM 0 HB3 PHE A 48 3.383 2.953 -10.672 1.00 33.11 H new ATOM 0 HD1 PHE A 48 2.418 1.774 -7.243 1.00 30.35 H new ATOM 0 HD2 PHE A 48 5.552 2.461 -10.045 1.00 61.14 H new ATOM 0 HE1 PHE A 48 4.071 1.078 -5.564 1.00 21.22 H new ATOM 0 HE2 PHE A 48 7.207 1.769 -8.366 1.00 63.54 H new ATOM 0 HZ PHE A 48 6.469 1.072 -6.123 1.00 61.12 H new ATOM 824 N ALA A 49 2.192 5.615 -10.726 1.00 44.30 N ATOM 825 CA ALA A 49 2.698 6.929 -11.106 1.00 65.51 C ATOM 826 C ALA A 49 2.180 8.010 -10.165 1.00 72.32 C ATOM 827 O ALA A 49 2.956 8.781 -9.603 1.00 50.50 O ATOM 828 CB ALA A 49 2.312 7.247 -12.544 1.00 14.23 C ATOM 0 H ALA A 49 1.589 5.177 -11.423 1.00 44.30 H new ATOM 0 HA ALA A 49 3.785 6.909 -11.029 1.00 65.51 H new ATOM 0 HB1 ALA A 49 2.696 8.231 -12.815 1.00 14.23 H new ATOM 0 HB2 ALA A 49 2.737 6.496 -13.209 1.00 14.23 H new ATOM 0 HB3 ALA A 49 1.226 7.243 -12.639 1.00 14.23 H new ATOM 834 N ASN A 50 0.862 8.062 -9.998 1.00 64.55 N ATOM 835 CA ASN A 50 0.239 9.050 -9.125 1.00 63.34 C ATOM 836 C ASN A 50 0.867 9.020 -7.735 1.00 41.12 C ATOM 837 O ASN A 50 0.842 10.014 -7.008 1.00 71.54 O ATOM 838 CB ASN A 50 -1.266 8.795 -9.024 1.00 13.45 C ATOM 839 CG ASN A 50 -2.001 9.149 -10.303 1.00 5.41 C ATOM 840 OD1 ASN A 50 -2.466 8.133 -11.017 1.00 40.34 O flip ATOM 841 ND2 ASN A 50 -2.146 10.323 -10.642 1.00 20.41 N flip ATOM 0 H ASN A 50 0.205 7.431 -10.456 1.00 64.55 H new ATOM 0 HA ASN A 50 0.405 10.037 -9.557 1.00 63.34 H new ATOM 0 HB2 ASN A 50 -1.439 7.745 -8.788 1.00 13.45 H new ATOM 0 HB3 ASN A 50 -1.676 9.378 -8.200 1.00 13.45 H new ATOM 0 HD21 ASN A 50 -1.771 11.072 -10.060 1.00 20.41 H new ATOM 0 HD22 ASN A 50 -2.642 10.547 -11.505 1.00 20.41 H new ATOM 848 N VAL A 51 1.430 7.873 -7.371 1.00 24.25 N ATOM 849 CA VAL A 51 2.067 7.712 -6.069 1.00 54.42 C ATOM 850 C VAL A 51 3.546 8.076 -6.131 1.00 33.32 C ATOM 851 O VAL A 51 4.064 8.766 -5.252 1.00 22.50 O ATOM 852 CB VAL A 51 1.926 6.270 -5.548 1.00 63.54 C ATOM 853 CG1 VAL A 51 3.059 5.934 -4.591 1.00 13.04 C ATOM 854 CG2 VAL A 51 0.574 6.074 -4.878 1.00 44.32 C ATOM 0 H VAL A 51 1.458 7.040 -7.960 1.00 24.25 H new ATOM 0 HA VAL A 51 1.558 8.389 -5.383 1.00 54.42 H new ATOM 0 HB VAL A 51 1.986 5.589 -6.397 1.00 63.54 H new ATOM 0 HG11 VAL A 51 2.942 4.911 -4.234 1.00 13.04 H new ATOM 0 HG12 VAL A 51 4.013 6.031 -5.109 1.00 13.04 H new ATOM 0 HG13 VAL A 51 3.035 6.619 -3.744 1.00 13.04 H new ATOM 0 HG21 VAL A 51 0.492 5.049 -4.516 1.00 44.32 H new ATOM 0 HG22 VAL A 51 0.480 6.764 -4.039 1.00 44.32 H new ATOM 0 HG23 VAL A 51 -0.221 6.269 -5.598 1.00 44.32 H new ATOM 864 N VAL A 52 4.221 7.609 -7.176 1.00 44.11 N ATOM 865 CA VAL A 52 5.641 7.886 -7.356 1.00 12.32 C ATOM 866 C VAL A 52 5.908 9.387 -7.392 1.00 31.15 C ATOM 867 O VAL A 52 6.956 9.852 -6.948 1.00 1.21 O ATOM 868 CB VAL A 52 6.179 7.248 -8.650 1.00 53.31 C ATOM 869 CG1 VAL A 52 7.679 7.467 -8.771 1.00 52.42 C ATOM 870 CG2 VAL A 52 5.843 5.766 -8.693 1.00 22.14 C ATOM 0 H VAL A 52 3.807 7.036 -7.912 1.00 44.11 H new ATOM 0 HA VAL A 52 6.159 7.448 -6.503 1.00 12.32 H new ATOM 0 HB VAL A 52 5.697 7.731 -9.500 1.00 53.31 H new ATOM 0 HG11 VAL A 52 8.040 7.009 -9.692 1.00 52.42 H new ATOM 0 HG12 VAL A 52 7.890 8.536 -8.790 1.00 52.42 H new ATOM 0 HG13 VAL A 52 8.183 7.013 -7.918 1.00 52.42 H new ATOM 0 HG21 VAL A 52 6.231 5.332 -9.614 1.00 22.14 H new ATOM 0 HG22 VAL A 52 6.296 5.265 -7.837 1.00 22.14 H new ATOM 0 HG23 VAL A 52 4.761 5.637 -8.658 1.00 22.14 H new ATOM 880 N ASN A 53 4.950 10.139 -7.925 1.00 45.11 N ATOM 881 CA ASN A 53 5.081 11.589 -8.020 1.00 25.41 C ATOM 882 C ASN A 53 5.058 12.229 -6.635 1.00 64.03 C ATOM 883 O ASN A 53 5.588 13.322 -6.435 1.00 54.33 O ATOM 884 CB ASN A 53 3.958 12.167 -8.881 1.00 54.35 C ATOM 885 CG ASN A 53 3.605 13.591 -8.491 1.00 62.45 C ATOM 886 OD1 ASN A 53 4.305 14.537 -8.854 1.00 61.34 O ATOM 887 ND2 ASN A 53 2.517 13.748 -7.748 1.00 35.40 N ATOM 0 H ASN A 53 4.075 9.769 -8.297 1.00 45.11 H new ATOM 0 HA ASN A 53 6.040 11.813 -8.488 1.00 25.41 H new ATOM 0 HB2 ASN A 53 4.258 12.144 -9.929 1.00 54.35 H new ATOM 0 HB3 ASN A 53 3.073 11.538 -8.789 1.00 54.35 H new ATOM 0 HD21 ASN A 53 2.230 14.682 -7.454 1.00 35.40 H new ATOM 0 HD22 ASN A 53 1.967 12.935 -7.471 1.00 35.40 H new ATOM 894 N VAL A 54 4.440 11.540 -5.681 1.00 60.33 N ATOM 895 CA VAL A 54 4.348 12.040 -4.315 1.00 21.14 C ATOM 896 C VAL A 54 5.696 11.956 -3.607 1.00 50.32 C ATOM 897 O VAL A 54 5.978 12.729 -2.691 1.00 14.13 O ATOM 898 CB VAL A 54 3.304 11.255 -3.498 1.00 62.43 C ATOM 899 CG1 VAL A 54 3.543 11.439 -2.007 1.00 33.51 C ATOM 900 CG2 VAL A 54 1.896 11.687 -3.880 1.00 40.42 C ATOM 0 H VAL A 54 3.996 10.634 -5.829 1.00 60.33 H new ATOM 0 HA VAL A 54 4.038 13.083 -4.381 1.00 21.14 H new ATOM 0 HB VAL A 54 3.409 10.195 -3.728 1.00 62.43 H new ATOM 0 HG11 VAL A 54 2.796 10.877 -1.447 1.00 33.51 H new ATOM 0 HG12 VAL A 54 4.538 11.075 -1.750 1.00 33.51 H new ATOM 0 HG13 VAL A 54 3.467 12.496 -1.754 1.00 33.51 H new ATOM 0 HG21 VAL A 54 1.171 11.123 -3.294 1.00 40.42 H new ATOM 0 HG22 VAL A 54 1.775 12.752 -3.680 1.00 40.42 H new ATOM 0 HG23 VAL A 54 1.732 11.496 -4.941 1.00 40.42 H new ATOM 910 N CYS A 55 6.528 11.014 -4.039 1.00 40.11 N ATOM 911 CA CYS A 55 7.848 10.829 -3.449 1.00 13.51 C ATOM 912 C CYS A 55 8.676 12.106 -3.558 1.00 5.00 C ATOM 913 O CYS A 55 9.538 12.372 -2.721 1.00 52.24 O ATOM 914 CB CYS A 55 8.579 9.673 -4.135 1.00 15.32 C ATOM 915 SG CYS A 55 7.551 8.190 -4.388 1.00 42.25 S ATOM 0 H CYS A 55 6.311 10.366 -4.796 1.00 40.11 H new ATOM 0 HA CYS A 55 7.717 10.591 -2.393 1.00 13.51 H new ATOM 0 HB2 CYS A 55 8.950 10.014 -5.101 1.00 15.32 H new ATOM 0 HB3 CYS A 55 9.449 9.401 -3.537 1.00 15.32 H new ATOM 920 N GLY A 56 8.409 12.892 -4.596 1.00 70.43 N ATOM 921 CA GLY A 56 9.138 14.130 -4.797 1.00 61.34 C ATOM 922 C GLY A 56 8.392 15.335 -4.262 1.00 15.35 C ATOM 923 O GLY A 56 8.486 16.429 -4.816 1.00 10.42 O ATOM 0 H GLY A 56 7.700 12.693 -5.302 1.00 70.43 H new ATOM 0 HA2 GLY A 56 10.109 14.060 -4.306 1.00 61.34 H new ATOM 0 HA3 GLY A 56 9.328 14.267 -5.861 1.00 61.34 H new ATOM 927 N ASN A 57 7.644 15.134 -3.181 1.00 52.24 N ATOM 928 CA ASN A 57 6.876 16.214 -2.572 1.00 32.02 C ATOM 929 C ASN A 57 7.450 16.589 -1.209 1.00 74.14 C ATOM 930 O ASN A 57 8.245 15.846 -0.635 1.00 24.31 O ATOM 931 CB ASN A 57 5.409 15.803 -2.424 1.00 55.40 C ATOM 932 CG ASN A 57 4.635 15.948 -3.720 1.00 64.21 C ATOM 933 OD1 ASN A 57 5.134 16.510 -4.695 1.00 2.42 O ATOM 934 ND2 ASN A 57 3.408 15.438 -3.737 1.00 2.50 N ATOM 0 H ASN A 57 7.554 14.234 -2.710 1.00 52.24 H new ATOM 0 HA ASN A 57 6.939 17.085 -3.225 1.00 32.02 H new ATOM 0 HB2 ASN A 57 5.357 14.768 -2.086 1.00 55.40 H new ATOM 0 HB3 ASN A 57 4.939 16.414 -1.653 1.00 55.40 H new ATOM 0 HD21 ASN A 57 2.840 15.504 -4.582 1.00 2.50 H new ATOM 0 HD22 ASN A 57 3.034 14.980 -2.905 1.00 2.50 H new ATOM 941 N GLN A 58 7.040 17.746 -0.698 1.00 45.03 N ATOM 942 CA GLN A 58 7.515 18.219 0.596 1.00 1.54 C ATOM 943 C GLN A 58 7.458 17.106 1.638 1.00 73.45 C ATOM 944 O GLN A 58 6.379 16.711 2.080 1.00 21.32 O ATOM 945 CB GLN A 58 6.681 19.413 1.063 1.00 3.42 C ATOM 946 CG GLN A 58 7.267 20.130 2.270 1.00 50.31 C ATOM 947 CD GLN A 58 8.667 20.652 2.015 1.00 24.24 C ATOM 948 OE1 GLN A 58 8.876 21.514 1.160 1.00 70.32 O ATOM 949 NE2 GLN A 58 9.638 20.131 2.757 1.00 55.12 N ATOM 0 H GLN A 58 6.381 18.372 -1.160 1.00 45.03 H new ATOM 0 HA GLN A 58 8.553 18.531 0.481 1.00 1.54 H new ATOM 0 HB2 GLN A 58 6.585 20.122 0.241 1.00 3.42 H new ATOM 0 HB3 GLN A 58 5.676 19.070 1.307 1.00 3.42 H new ATOM 0 HG2 GLN A 58 6.618 20.961 2.545 1.00 50.31 H new ATOM 0 HG3 GLN A 58 7.287 19.447 3.119 1.00 50.31 H new ATOM 0 HE21 GLN A 58 9.421 19.419 3.454 1.00 55.12 H new ATOM 0 HE22 GLN A 58 10.601 20.443 2.629 1.00 55.12 H new ATOM 958 N SER A 59 8.626 16.602 2.023 1.00 33.12 N ATOM 959 CA SER A 59 8.709 15.531 3.010 1.00 71.13 C ATOM 960 C SER A 59 8.248 16.018 4.380 1.00 23.25 C ATOM 961 O SER A 59 8.088 17.218 4.603 1.00 21.33 O ATOM 962 CB SER A 59 10.140 15.001 3.098 1.00 5.24 C ATOM 963 OG SER A 59 11.077 16.064 3.135 1.00 65.11 O ATOM 0 H SER A 59 9.528 16.918 1.667 1.00 33.12 H new ATOM 0 HA SER A 59 8.050 14.724 2.691 1.00 71.13 H new ATOM 0 HB2 SER A 59 10.249 14.385 3.991 1.00 5.24 H new ATOM 0 HB3 SER A 59 10.347 14.360 2.241 1.00 5.24 H new ATOM 0 HG SER A 59 11.984 15.698 3.193 1.00 65.11 H new ATOM 969 N ILE A 60 8.036 15.076 5.294 1.00 54.14 N ATOM 970 CA ILE A 60 7.594 15.409 6.643 1.00 3.10 C ATOM 971 C ILE A 60 7.949 14.297 7.626 1.00 55.43 C ATOM 972 O ILE A 60 8.564 13.299 7.254 1.00 5.14 O ATOM 973 CB ILE A 60 6.075 15.658 6.693 1.00 1.03 C ATOM 974 CG1 ILE A 60 5.342 14.656 5.799 1.00 60.33 C ATOM 975 CG2 ILE A 60 5.758 17.084 6.270 1.00 64.23 C ATOM 976 CD1 ILE A 60 3.852 14.597 6.053 1.00 64.41 C ATOM 0 H ILE A 60 8.163 14.078 5.125 1.00 54.14 H new ATOM 0 HA ILE A 60 8.112 16.324 6.929 1.00 3.10 H new ATOM 0 HB ILE A 60 5.733 15.519 7.719 1.00 1.03 H new ATOM 0 HG12 ILE A 60 5.514 14.919 4.755 1.00 60.33 H new ATOM 0 HG13 ILE A 60 5.768 13.665 5.953 1.00 60.33 H new ATOM 0 HG21 ILE A 60 4.681 17.245 6.310 1.00 64.23 H new ATOM 0 HG22 ILE A 60 6.255 17.782 6.944 1.00 64.23 H new ATOM 0 HG23 ILE A 60 6.111 17.249 5.252 1.00 64.23 H new ATOM 0 HD11 ILE A 60 3.398 13.866 5.384 1.00 64.41 H new ATOM 0 HD12 ILE A 60 3.671 14.304 7.087 1.00 64.41 H new ATOM 0 HD13 ILE A 60 3.413 15.578 5.871 1.00 64.41 H new ATOM 988 N ARG A 61 7.553 14.479 8.882 1.00 3.34 N ATOM 989 CA ARG A 61 7.829 13.491 9.919 1.00 53.24 C ATOM 990 C ARG A 61 6.796 12.369 9.890 1.00 53.31 C ATOM 991 O ARG A 61 5.595 12.612 10.019 1.00 54.32 O ATOM 992 CB ARG A 61 7.836 14.157 11.297 1.00 72.01 C ATOM 993 CG ARG A 61 6.871 15.325 11.414 1.00 75.11 C ATOM 994 CD ARG A 61 7.563 16.650 11.137 1.00 41.41 C ATOM 995 NE ARG A 61 6.697 17.790 11.423 1.00 51.24 N ATOM 996 CZ ARG A 61 5.746 18.217 10.599 1.00 62.53 C ATOM 997 NH1 ARG A 61 5.540 17.599 9.443 1.00 4.11 N ATOM 998 NH2 ARG A 61 4.999 19.262 10.929 1.00 11.23 N ATOM 0 H ARG A 61 7.041 15.300 9.206 1.00 3.34 H new ATOM 0 HA ARG A 61 8.812 13.061 9.725 1.00 53.24 H new ATOM 0 HB2 ARG A 61 7.585 13.412 12.052 1.00 72.01 H new ATOM 0 HB3 ARG A 61 8.845 14.507 11.517 1.00 72.01 H new ATOM 0 HG2 ARG A 61 6.048 15.190 10.712 1.00 75.11 H new ATOM 0 HG3 ARG A 61 6.438 15.342 12.414 1.00 75.11 H new ATOM 0 HD2 ARG A 61 8.467 16.720 11.742 1.00 41.41 H new ATOM 0 HD3 ARG A 61 7.875 16.685 10.093 1.00 41.41 H new ATOM 0 HE ARG A 61 6.829 18.286 12.304 1.00 51.24 H new ATOM 0 HH11 ARG A 61 6.112 16.795 9.186 1.00 4.11 H new ATOM 0 HH12 ARG A 61 4.810 17.928 8.812 1.00 4.11 H new ATOM 0 HH21 ARG A 61 5.154 19.740 11.817 1.00 11.23 H new ATOM 0 HH22 ARG A 61 4.270 19.588 10.295 1.00 11.23 H new ATOM 1012 N CYS A 62 7.270 11.140 9.717 1.00 15.34 N ATOM 1013 CA CYS A 62 6.389 9.980 9.669 1.00 34.23 C ATOM 1014 C CYS A 62 5.854 9.645 11.059 1.00 2.10 C ATOM 1015 O CYS A 62 6.549 9.774 12.067 1.00 61.23 O ATOM 1016 CB CYS A 62 7.131 8.773 9.092 1.00 70.15 C ATOM 1017 SG CYS A 62 8.445 9.206 7.907 1.00 74.53 S ATOM 0 H CYS A 62 8.260 10.922 9.608 1.00 15.34 H new ATOM 0 HA CYS A 62 5.545 10.223 9.023 1.00 34.23 H new ATOM 0 HB2 CYS A 62 7.569 8.203 9.912 1.00 70.15 H new ATOM 0 HB3 CYS A 62 6.412 8.120 8.598 1.00 70.15 H new ATOM 1022 N PRO A 63 4.589 9.204 11.115 1.00 23.13 N ATOM 1023 CA PRO A 63 3.932 8.840 12.375 1.00 63.23 C ATOM 1024 C PRO A 63 4.508 7.565 12.981 1.00 24.22 C ATOM 1025 O PRO A 63 4.743 7.490 14.188 1.00 62.12 O ATOM 1026 CB PRO A 63 2.473 8.626 11.965 1.00 1.43 C ATOM 1027 CG PRO A 63 2.533 8.266 10.521 1.00 3.34 C ATOM 1028 CD PRO A 63 3.701 9.025 9.954 1.00 71.22 C ATOM 0 HA PRO A 63 4.066 9.604 13.141 1.00 63.23 H new ATOM 0 HB2 PRO A 63 2.009 7.833 12.552 1.00 1.43 H new ATOM 0 HB3 PRO A 63 1.881 9.527 12.124 1.00 1.43 H new ATOM 0 HG2 PRO A 63 2.666 7.192 10.392 1.00 3.34 H new ATOM 0 HG3 PRO A 63 1.608 8.537 10.012 1.00 3.34 H new ATOM 0 HD2 PRO A 63 4.192 8.469 9.155 1.00 71.22 H new ATOM 0 HD3 PRO A 63 3.392 9.982 9.533 1.00 71.22 H new ATOM 1036 N HIS A 64 4.733 6.562 12.138 1.00 74.34 N ATOM 1037 CA HIS A 64 5.282 5.289 12.590 1.00 1.30 C ATOM 1038 C HIS A 64 6.713 5.462 13.090 1.00 10.44 C ATOM 1039 O HIS A 64 7.235 4.614 13.812 1.00 15.52 O ATOM 1040 CB HIS A 64 5.245 4.262 11.459 1.00 2.31 C ATOM 1041 CG HIS A 64 6.042 3.027 11.745 1.00 24.51 C ATOM 1042 ND1 HIS A 64 7.389 2.920 11.469 1.00 73.43 N ATOM 1043 CD2 HIS A 64 5.676 1.842 12.288 1.00 13.22 C ATOM 1044 CE1 HIS A 64 7.816 1.722 11.828 1.00 53.44 C ATOM 1045 NE2 HIS A 64 6.796 1.049 12.329 1.00 52.25 N ATOM 0 H HIS A 64 4.543 6.607 11.137 1.00 74.34 H new ATOM 0 HA HIS A 64 4.668 4.930 13.416 1.00 1.30 H new ATOM 0 HB2 HIS A 64 4.209 3.980 11.269 1.00 2.31 H new ATOM 0 HB3 HIS A 64 5.622 4.725 10.547 1.00 2.31 H new ATOM 0 HD2 HIS A 64 4.687 1.571 12.626 1.00 13.22 H new ATOM 0 HE1 HIS A 64 8.827 1.356 11.729 1.00 53.44 H new ATOM 0 HE2 HIS A 64 6.834 0.095 12.688 1.00 52.25 H new ATOM 1054 N ASN A 65 7.342 6.566 12.698 1.00 33.24 N ATOM 1055 CA ASN A 65 8.713 6.850 13.106 1.00 22.52 C ATOM 1056 C ASN A 65 8.859 8.300 13.554 1.00 41.44 C ATOM 1057 O ASN A 65 8.951 9.209 12.728 1.00 43.01 O ATOM 1058 CB ASN A 65 9.680 6.560 11.955 1.00 32.43 C ATOM 1059 CG ASN A 65 9.623 5.113 11.504 1.00 62.23 C ATOM 1060 OD1 ASN A 65 9.513 4.199 12.322 1.00 54.43 O ATOM 1061 ND2 ASN A 65 9.699 4.898 10.196 1.00 72.24 N ATOM 0 H ASN A 65 6.924 7.278 12.099 1.00 33.24 H new ATOM 0 HA ASN A 65 8.956 6.203 13.949 1.00 22.52 H new ATOM 0 HB2 ASN A 65 9.444 7.210 11.113 1.00 32.43 H new ATOM 0 HB3 ASN A 65 10.696 6.801 12.268 1.00 32.43 H new ATOM 0 HD21 ASN A 65 9.667 3.945 9.833 1.00 72.24 H new ATOM 0 HD22 ASN A 65 9.789 5.686 9.554 1.00 72.24 H new ATOM 1068 N ARG A 66 8.879 8.510 14.865 1.00 4.22 N ATOM 1069 CA ARG A 66 9.014 9.850 15.423 1.00 14.13 C ATOM 1070 C ARG A 66 10.419 10.398 15.191 1.00 72.23 C ATOM 1071 O ARG A 66 10.731 11.522 15.583 1.00 41.44 O ATOM 1072 CB ARG A 66 8.701 9.837 16.921 1.00 65.33 C ATOM 1073 CG ARG A 66 9.833 9.285 17.773 1.00 34.34 C ATOM 1074 CD ARG A 66 9.581 9.521 19.254 1.00 34.34 C ATOM 1075 NE ARG A 66 10.324 8.584 20.092 1.00 11.25 N ATOM 1076 CZ ARG A 66 10.532 8.766 21.391 1.00 5.35 C ATOM 1077 NH1 ARG A 66 10.057 9.845 21.998 1.00 63.41 N ATOM 1078 NH2 ARG A 66 11.219 7.868 22.087 1.00 11.10 N ATOM 0 H ARG A 66 8.803 7.769 15.562 1.00 4.22 H new ATOM 0 HA ARG A 66 8.301 10.500 14.915 1.00 14.13 H new ATOM 0 HB2 ARG A 66 8.475 10.853 17.246 1.00 65.33 H new ATOM 0 HB3 ARG A 66 7.805 9.241 17.092 1.00 65.33 H new ATOM 0 HG2 ARG A 66 9.942 8.217 17.587 1.00 34.34 H new ATOM 0 HG3 ARG A 66 10.772 9.757 17.483 1.00 34.34 H new ATOM 0 HD2 ARG A 66 9.865 10.541 19.512 1.00 34.34 H new ATOM 0 HD3 ARG A 66 8.515 9.425 19.460 1.00 34.34 H new ATOM 0 HE ARG A 66 10.704 7.744 19.656 1.00 11.25 H new ATOM 0 HH11 ARG A 66 9.530 10.538 21.467 1.00 63.41 H new ATOM 0 HH12 ARG A 66 10.219 9.982 22.996 1.00 63.41 H new ATOM 0 HH21 ARG A 66 11.588 7.037 21.624 1.00 11.10 H new ATOM 0 HH22 ARG A 66 11.378 8.009 23.085 1.00 11.10 H new ATOM 1092 N THR A 67 11.263 9.595 14.550 1.00 52.14 N ATOM 1093 CA THR A 67 12.635 9.998 14.266 1.00 15.30 C ATOM 1094 C THR A 67 12.944 9.883 12.778 1.00 43.33 C ATOM 1095 O THR A 67 13.619 10.741 12.206 1.00 71.30 O ATOM 1096 CB THR A 67 13.645 9.146 15.057 1.00 11.33 C ATOM 1097 OG1 THR A 67 14.982 9.541 14.729 1.00 72.35 O ATOM 1098 CG2 THR A 67 13.458 7.667 14.755 1.00 44.31 C ATOM 0 H THR A 67 11.020 8.662 14.218 1.00 52.14 H new ATOM 0 HA THR A 67 12.730 11.039 14.574 1.00 15.30 H new ATOM 0 HB THR A 67 13.470 9.308 16.121 1.00 11.33 H new ATOM 0 HG1 THR A 67 15.618 8.996 15.237 1.00 72.35 H new ATOM 0 HG21 THR A 67 14.182 7.085 15.325 1.00 44.31 H new ATOM 0 HG22 THR A 67 12.449 7.364 15.033 1.00 44.31 H new ATOM 0 HG23 THR A 67 13.609 7.491 13.690 1.00 44.31 H new ATOM 1106 N LEU A 68 12.448 8.820 12.156 1.00 64.40 N ATOM 1107 CA LEU A 68 12.672 8.593 10.732 1.00 1.22 C ATOM 1108 C LEU A 68 11.913 9.615 9.892 1.00 64.25 C ATOM 1109 O LEU A 68 10.707 9.793 10.053 1.00 10.54 O ATOM 1110 CB LEU A 68 12.240 7.177 10.347 1.00 73.14 C ATOM 1111 CG LEU A 68 13.002 6.535 9.188 1.00 23.43 C ATOM 1112 CD1 LEU A 68 12.650 5.060 9.070 1.00 25.04 C ATOM 1113 CD2 LEU A 68 12.703 7.262 7.885 1.00 31.51 C ATOM 0 H LEU A 68 11.888 8.101 12.615 1.00 64.40 H new ATOM 0 HA LEU A 68 13.738 8.707 10.534 1.00 1.22 H new ATOM 0 HB2 LEU A 68 12.343 6.536 11.223 1.00 73.14 H new ATOM 0 HB3 LEU A 68 11.181 7.199 10.091 1.00 73.14 H new ATOM 0 HG LEU A 68 14.070 6.618 9.390 1.00 23.43 H new ATOM 0 HD11 LEU A 68 13.202 4.620 8.240 1.00 25.04 H new ATOM 0 HD12 LEU A 68 12.915 4.547 9.995 1.00 25.04 H new ATOM 0 HD13 LEU A 68 11.580 4.954 8.891 1.00 25.04 H new ATOM 0 HD21 LEU A 68 13.254 6.791 7.071 1.00 31.51 H new ATOM 0 HD22 LEU A 68 11.634 7.211 7.677 1.00 31.51 H new ATOM 0 HD23 LEU A 68 13.006 8.305 7.973 1.00 31.51 H new ATOM 1125 N ASN A 69 12.629 10.283 8.992 1.00 12.15 N ATOM 1126 CA ASN A 69 12.021 11.286 8.125 1.00 64.44 C ATOM 1127 C ASN A 69 12.310 10.982 6.658 1.00 20.11 C ATOM 1128 O ASN A 69 13.045 11.713 5.996 1.00 44.23 O ATOM 1129 CB ASN A 69 12.542 12.679 8.481 1.00 44.44 C ATOM 1130 CG ASN A 69 14.032 12.685 8.765 1.00 14.53 C ATOM 1131 OD1 ASN A 69 14.763 11.802 8.319 1.00 3.51 O ATOM 1132 ND2 ASN A 69 14.488 13.685 9.512 1.00 61.23 N ATOM 0 H ASN A 69 13.629 10.148 8.845 1.00 12.15 H new ATOM 0 HA ASN A 69 10.942 11.259 8.278 1.00 64.44 H new ATOM 0 HB2 ASN A 69 12.329 13.364 7.661 1.00 44.44 H new ATOM 0 HB3 ASN A 69 12.007 13.052 9.355 1.00 44.44 H new ATOM 0 HD21 ASN A 69 15.481 13.742 9.737 1.00 61.23 H new ATOM 0 HD22 ASN A 69 13.845 14.396 9.861 1.00 61.23 H new ATOM 1139 N ASN A 70 11.725 9.899 6.157 1.00 31.23 N ATOM 1140 CA ASN A 70 11.919 9.498 4.768 1.00 33.13 C ATOM 1141 C ASN A 70 10.587 9.149 4.112 1.00 11.11 C ATOM 1142 O ASN A 70 10.537 8.380 3.151 1.00 45.11 O ATOM 1143 CB ASN A 70 12.869 8.302 4.689 1.00 12.23 C ATOM 1144 CG ASN A 70 13.449 8.116 3.300 1.00 12.21 C ATOM 1145 OD1 ASN A 70 13.742 9.087 2.603 1.00 73.33 O ATOM 1146 ND2 ASN A 70 13.619 6.864 2.893 1.00 33.53 N ATOM 0 H ASN A 70 11.113 9.283 6.692 1.00 31.23 H new ATOM 0 HA ASN A 70 12.359 10.338 4.231 1.00 33.13 H new ATOM 0 HB2 ASN A 70 13.681 8.438 5.404 1.00 12.23 H new ATOM 0 HB3 ASN A 70 12.335 7.398 4.981 1.00 12.23 H new ATOM 0 HD21 ASN A 70 14.007 6.677 1.968 1.00 33.53 H new ATOM 0 HD22 ASN A 70 13.362 6.089 3.505 1.00 33.53 H new ATOM 1153 N CYS A 71 9.507 9.718 4.638 1.00 60.14 N ATOM 1154 CA CYS A 71 8.173 9.468 4.104 1.00 42.04 C ATOM 1155 C CYS A 71 7.528 10.764 3.621 1.00 63.12 C ATOM 1156 O CYS A 71 7.682 11.816 4.244 1.00 71.25 O ATOM 1157 CB CYS A 71 7.291 8.812 5.168 1.00 71.04 C ATOM 1158 SG CYS A 71 8.206 7.793 6.368 1.00 30.24 S ATOM 0 H CYS A 71 9.530 10.356 5.434 1.00 60.14 H new ATOM 0 HA CYS A 71 8.269 8.793 3.254 1.00 42.04 H new ATOM 0 HB2 CYS A 71 6.750 9.590 5.706 1.00 71.04 H new ATOM 0 HB3 CYS A 71 6.545 8.190 4.673 1.00 71.04 H new ATOM 1163 N HIS A 72 6.807 10.681 2.508 1.00 20.23 N ATOM 1164 CA HIS A 72 6.138 11.847 1.942 1.00 61.31 C ATOM 1165 C HIS A 72 4.639 11.599 1.806 1.00 54.41 C ATOM 1166 O HIS A 72 4.214 10.581 1.259 1.00 1.52 O ATOM 1167 CB HIS A 72 6.736 12.190 0.577 1.00 74.01 C ATOM 1168 CG HIS A 72 8.181 11.823 0.446 1.00 42.44 C ATOM 1169 ND1 HIS A 72 8.835 10.678 0.749 1.00 71.13 N flip ATOM 1170 CD2 HIS A 72 9.136 12.688 -0.047 1.00 32.22 C flip ATOM 1171 CE1 HIS A 72 10.158 10.868 0.436 1.00 54.15 C flip ATOM 1172 NE2 HIS A 72 10.313 12.089 -0.043 1.00 3.11 N flip ATOM 0 H HIS A 72 6.671 9.819 1.980 1.00 20.23 H new ATOM 0 HA HIS A 72 6.290 12.688 2.619 1.00 61.31 H new ATOM 0 HB2 HIS A 72 6.168 11.677 -0.199 1.00 74.01 H new ATOM 0 HB3 HIS A 72 6.624 13.260 0.399 1.00 74.01 H new ATOM 0 HD2 HIS A 72 8.950 13.697 -0.384 1.00 32.22 H new ATOM 0 HE1 HIS A 72 10.944 10.138 0.561 1.00 54.15 H new ATOM 0 HE2 HIS A 72 11.192 12.500 -0.357 1.00 3.11 H new ATOM 1181 N ARG A 73 3.841 12.537 2.309 1.00 41.34 N ATOM 1182 CA ARG A 73 2.390 12.420 2.245 1.00 4.14 C ATOM 1183 C ARG A 73 1.849 13.043 0.961 1.00 3.54 C ATOM 1184 O ARG A 73 2.219 14.160 0.598 1.00 32.22 O ATOM 1185 CB ARG A 73 1.749 13.093 3.460 1.00 54.51 C ATOM 1186 CG ARG A 73 0.302 12.691 3.687 1.00 33.11 C ATOM 1187 CD ARG A 73 -0.493 13.811 4.340 1.00 1.35 C ATOM 1188 NE ARG A 73 -0.455 15.040 3.553 1.00 22.10 N ATOM 1189 CZ ARG A 73 -1.255 16.077 3.771 1.00 61.04 C ATOM 1190 NH1 ARG A 73 -2.152 16.034 4.747 1.00 61.45 N ATOM 1191 NH2 ARG A 73 -1.160 17.162 3.011 1.00 24.25 N ATOM 0 H ARG A 73 4.176 13.386 2.765 1.00 41.34 H new ATOM 0 HA ARG A 73 2.136 11.360 2.249 1.00 4.14 H new ATOM 0 HB2 ARG A 73 2.329 12.846 4.349 1.00 54.51 H new ATOM 0 HB3 ARG A 73 1.801 14.175 3.335 1.00 54.51 H new ATOM 0 HG2 ARG A 73 -0.157 12.426 2.734 1.00 33.11 H new ATOM 0 HG3 ARG A 73 0.265 11.802 4.317 1.00 33.11 H new ATOM 0 HD2 ARG A 73 -1.528 13.494 4.467 1.00 1.35 H new ATOM 0 HD3 ARG A 73 -0.094 14.006 5.336 1.00 1.35 H new ATOM 0 HE ARG A 73 0.223 15.106 2.794 1.00 22.10 H new ATOM 0 HH11 ARG A 73 -2.229 15.203 5.333 1.00 61.45 H new ATOM 0 HH12 ARG A 73 -2.765 16.832 4.912 1.00 61.45 H new ATOM 0 HH21 ARG A 73 -0.472 17.199 2.259 1.00 24.25 H new ATOM 0 HH22 ARG A 73 -1.775 17.958 3.179 1.00 24.25 H new ATOM 1205 N SER A 74 0.974 12.312 0.278 1.00 23.11 N ATOM 1206 CA SER A 74 0.387 12.791 -0.968 1.00 62.44 C ATOM 1207 C SER A 74 -0.249 14.164 -0.777 1.00 2.34 C ATOM 1208 O SER A 74 -1.055 14.365 0.130 1.00 14.25 O ATOM 1209 CB SER A 74 -0.660 11.798 -1.477 1.00 74.33 C ATOM 1210 OG SER A 74 -1.942 12.097 -0.955 1.00 35.42 O ATOM 0 H SER A 74 0.656 11.387 0.566 1.00 23.11 H new ATOM 0 HA SER A 74 1.184 12.879 -1.706 1.00 62.44 H new ATOM 0 HB2 SER A 74 -0.692 11.825 -2.566 1.00 74.33 H new ATOM 0 HB3 SER A 74 -0.375 10.786 -1.191 1.00 74.33 H new ATOM 0 HG SER A 74 -2.495 12.501 -1.656 1.00 35.42 H new ATOM 1216 N ARG A 75 0.122 15.106 -1.639 1.00 14.04 N ATOM 1217 CA ARG A 75 -0.411 16.461 -1.565 1.00 25.23 C ATOM 1218 C ARG A 75 -1.895 16.483 -1.917 1.00 63.33 C ATOM 1219 O ARG A 75 -2.674 17.230 -1.326 1.00 11.13 O ATOM 1220 CB ARG A 75 0.362 17.387 -2.506 1.00 42.31 C ATOM 1221 CG ARG A 75 0.305 16.959 -3.963 1.00 32.42 C ATOM 1222 CD ARG A 75 0.595 18.123 -4.897 1.00 42.43 C ATOM 1223 NE ARG A 75 2.028 18.343 -5.070 1.00 4.21 N ATOM 1224 CZ ARG A 75 2.558 18.940 -6.131 1.00 0.13 C ATOM 1225 NH1 ARG A 75 1.777 19.375 -7.110 1.00 73.10 N ATOM 1226 NH2 ARG A 75 3.872 19.104 -6.215 1.00 22.00 N ATOM 0 H ARG A 75 0.789 14.956 -2.396 1.00 14.04 H new ATOM 0 HA ARG A 75 -0.294 16.815 -0.541 1.00 25.23 H new ATOM 0 HB2 ARG A 75 -0.037 18.397 -2.417 1.00 42.31 H new ATOM 0 HB3 ARG A 75 1.404 17.427 -2.188 1.00 42.31 H new ATOM 0 HG2 ARG A 75 1.028 16.162 -4.138 1.00 32.42 H new ATOM 0 HG3 ARG A 75 -0.681 16.550 -4.185 1.00 32.42 H new ATOM 0 HD2 ARG A 75 0.138 17.931 -5.868 1.00 42.43 H new ATOM 0 HD3 ARG A 75 0.135 19.028 -4.501 1.00 42.43 H new ATOM 0 HE ARG A 75 2.657 18.020 -4.335 1.00 4.21 H new ATOM 0 HH11 ARG A 75 0.766 19.251 -7.049 1.00 73.10 H new ATOM 0 HH12 ARG A 75 2.187 19.833 -7.924 1.00 73.10 H new ATOM 0 HH21 ARG A 75 4.477 18.771 -5.464 1.00 22.00 H new ATOM 0 HH22 ARG A 75 4.278 19.563 -7.031 1.00 22.00 H new ATOM 1240 N PHE A 76 -2.279 15.657 -2.886 1.00 11.23 N ATOM 1241 CA PHE A 76 -3.670 15.582 -3.319 1.00 0.33 C ATOM 1242 C PHE A 76 -4.350 14.340 -2.751 1.00 71.23 C ATOM 1243 O PHE A 76 -3.761 13.260 -2.712 1.00 0.32 O ATOM 1244 CB PHE A 76 -3.750 15.569 -4.847 1.00 1.15 C ATOM 1245 CG PHE A 76 -3.853 16.938 -5.454 1.00 53.11 C ATOM 1246 CD1 PHE A 76 -5.080 17.572 -5.564 1.00 52.10 C ATOM 1247 CD2 PHE A 76 -2.722 17.592 -5.915 1.00 52.42 C ATOM 1248 CE1 PHE A 76 -5.178 18.832 -6.122 1.00 73.34 C ATOM 1249 CE2 PHE A 76 -2.813 18.853 -6.474 1.00 15.01 C ATOM 1250 CZ PHE A 76 -4.044 19.474 -6.578 1.00 24.10 C ATOM 0 H PHE A 76 -1.647 15.031 -3.385 1.00 11.23 H new ATOM 0 HA PHE A 76 -4.190 16.463 -2.943 1.00 0.33 H new ATOM 0 HB2 PHE A 76 -2.866 15.070 -5.245 1.00 1.15 H new ATOM 0 HB3 PHE A 76 -4.614 14.979 -5.152 1.00 1.15 H new ATOM 0 HD1 PHE A 76 -5.971 17.075 -5.209 1.00 52.10 H new ATOM 0 HD2 PHE A 76 -1.758 17.111 -5.837 1.00 52.42 H new ATOM 0 HE1 PHE A 76 -6.141 19.314 -6.201 1.00 73.34 H new ATOM 0 HE2 PHE A 76 -1.924 19.353 -6.829 1.00 15.01 H new ATOM 0 HZ PHE A 76 -4.118 20.459 -7.015 1.00 24.10 H new ATOM 1260 N ARG A 77 -5.594 14.502 -2.312 1.00 61.24 N ATOM 1261 CA ARG A 77 -6.355 13.396 -1.745 1.00 21.43 C ATOM 1262 C ARG A 77 -6.869 12.470 -2.843 1.00 70.51 C ATOM 1263 O ARG A 77 -7.099 12.899 -3.974 1.00 71.03 O ATOM 1264 CB ARG A 77 -7.528 13.925 -0.918 1.00 71.23 C ATOM 1265 CG ARG A 77 -7.109 14.865 0.201 1.00 73.44 C ATOM 1266 CD ARG A 77 -8.304 15.599 0.788 1.00 12.25 C ATOM 1267 NE ARG A 77 -8.599 16.833 0.065 1.00 60.43 N ATOM 1268 CZ ARG A 77 -9.502 17.721 0.463 1.00 20.15 C ATOM 1269 NH1 ARG A 77 -10.195 17.514 1.574 1.00 5.43 N ATOM 1270 NH2 ARG A 77 -9.713 18.820 -0.250 1.00 74.32 N ATOM 0 H ARG A 77 -6.096 15.389 -2.338 1.00 61.24 H new ATOM 0 HA ARG A 77 -5.690 12.827 -1.095 1.00 21.43 H new ATOM 0 HB2 ARG A 77 -8.221 14.446 -1.578 1.00 71.23 H new ATOM 0 HB3 ARG A 77 -8.069 13.081 -0.489 1.00 71.23 H new ATOM 0 HG2 ARG A 77 -6.608 14.298 0.985 1.00 73.44 H new ATOM 0 HG3 ARG A 77 -6.388 15.588 -0.180 1.00 73.44 H new ATOM 0 HD2 ARG A 77 -9.177 14.947 0.763 1.00 12.25 H new ATOM 0 HD3 ARG A 77 -8.108 15.831 1.835 1.00 12.25 H new ATOM 0 HE ARG A 77 -8.082 17.023 -0.794 1.00 60.43 H new ATOM 0 HH11 ARG A 77 -10.035 16.671 2.125 1.00 5.43 H new ATOM 0 HH12 ARG A 77 -10.888 18.198 1.878 1.00 5.43 H new ATOM 0 HH21 ARG A 77 -9.181 18.983 -1.105 1.00 74.32 H new ATOM 0 HH22 ARG A 77 -10.407 19.502 0.057 1.00 74.32 H new ATOM 1284 N VAL A 78 -7.048 11.198 -2.502 1.00 61.44 N ATOM 1285 CA VAL A 78 -7.536 10.212 -3.459 1.00 33.30 C ATOM 1286 C VAL A 78 -8.369 9.139 -2.767 1.00 11.13 C ATOM 1287 O VAL A 78 -8.148 8.801 -1.604 1.00 2.44 O ATOM 1288 CB VAL A 78 -6.375 9.537 -4.212 1.00 61.10 C ATOM 1289 CG1 VAL A 78 -5.283 10.549 -4.527 1.00 22.52 C ATOM 1290 CG2 VAL A 78 -5.818 8.375 -3.402 1.00 75.54 C ATOM 0 H VAL A 78 -6.862 10.826 -1.571 1.00 61.44 H new ATOM 0 HA VAL A 78 -8.160 10.748 -4.174 1.00 33.30 H new ATOM 0 HB VAL A 78 -6.756 9.144 -5.154 1.00 61.10 H new ATOM 0 HG11 VAL A 78 -4.471 10.054 -5.059 1.00 22.52 H new ATOM 0 HG12 VAL A 78 -5.693 11.345 -5.149 1.00 22.52 H new ATOM 0 HG13 VAL A 78 -4.902 10.974 -3.598 1.00 22.52 H new ATOM 0 HG21 VAL A 78 -4.998 7.910 -3.949 1.00 75.54 H new ATOM 0 HG22 VAL A 78 -5.452 8.742 -2.443 1.00 75.54 H new ATOM 0 HG23 VAL A 78 -6.605 7.640 -3.232 1.00 75.54 H new ATOM 1300 N PRO A 79 -9.352 8.589 -3.496 1.00 14.31 N ATOM 1301 CA PRO A 79 -10.238 7.546 -2.972 1.00 22.33 C ATOM 1302 C PRO A 79 -9.514 6.219 -2.768 1.00 44.43 C ATOM 1303 O PRO A 79 -9.139 5.550 -3.732 1.00 70.15 O ATOM 1304 CB PRO A 79 -11.307 7.410 -4.059 1.00 60.11 C ATOM 1305 CG PRO A 79 -10.639 7.871 -5.308 1.00 5.34 C ATOM 1306 CD PRO A 79 -9.672 8.944 -4.889 1.00 14.25 C ATOM 0 HA PRO A 79 -10.638 7.805 -1.992 1.00 22.33 H new ATOM 0 HB2 PRO A 79 -11.649 6.379 -4.151 1.00 60.11 H new ATOM 0 HB3 PRO A 79 -12.183 8.018 -3.831 1.00 60.11 H new ATOM 0 HG2 PRO A 79 -10.120 7.048 -5.799 1.00 5.34 H new ATOM 0 HG3 PRO A 79 -11.368 8.259 -6.020 1.00 5.34 H new ATOM 0 HD2 PRO A 79 -8.781 8.950 -5.517 1.00 14.25 H new ATOM 0 HD3 PRO A 79 -10.118 9.936 -4.959 1.00 14.25 H new ATOM 1314 N LEU A 80 -9.320 5.844 -1.509 1.00 33.11 N ATOM 1315 CA LEU A 80 -8.641 4.596 -1.178 1.00 23.11 C ATOM 1316 C LEU A 80 -9.609 3.599 -0.550 1.00 1.25 C ATOM 1317 O LEU A 80 -10.766 3.927 -0.280 1.00 25.14 O ATOM 1318 CB LEU A 80 -7.476 4.863 -0.223 1.00 41.23 C ATOM 1319 CG LEU A 80 -7.832 5.555 1.093 1.00 33.11 C ATOM 1320 CD1 LEU A 80 -8.947 4.805 1.805 1.00 53.32 C ATOM 1321 CD2 LEU A 80 -6.605 5.665 1.987 1.00 70.25 C ATOM 0 H LEU A 80 -9.623 6.386 -0.700 1.00 33.11 H new ATOM 0 HA LEU A 80 -8.254 4.166 -2.102 1.00 23.11 H new ATOM 0 HB2 LEU A 80 -6.996 3.912 0.008 1.00 41.23 H new ATOM 0 HB3 LEU A 80 -6.738 5.474 -0.744 1.00 41.23 H new ATOM 0 HG LEU A 80 -8.184 6.562 0.869 1.00 33.11 H new ATOM 0 HD11 LEU A 80 -9.187 5.312 2.740 1.00 53.32 H new ATOM 0 HD12 LEU A 80 -9.832 4.778 1.169 1.00 53.32 H new ATOM 0 HD13 LEU A 80 -8.622 3.786 2.018 1.00 53.32 H new ATOM 0 HD21 LEU A 80 -6.877 6.160 2.919 1.00 70.25 H new ATOM 0 HD22 LEU A 80 -6.222 4.668 2.204 1.00 70.25 H new ATOM 0 HD23 LEU A 80 -5.835 6.246 1.479 1.00 70.25 H new ATOM 1333 N LEU A 81 -9.130 2.382 -0.317 1.00 62.13 N ATOM 1334 CA LEU A 81 -9.952 1.338 0.282 1.00 21.32 C ATOM 1335 C LEU A 81 -9.247 0.710 1.480 1.00 32.03 C ATOM 1336 O LEU A 81 -8.026 0.556 1.486 1.00 62.02 O ATOM 1337 CB LEU A 81 -10.277 0.260 -0.754 1.00 1.31 C ATOM 1338 CG LEU A 81 -11.614 -0.460 -0.576 1.00 23.41 C ATOM 1339 CD1 LEU A 81 -11.657 -1.186 0.759 1.00 2.43 C ATOM 1340 CD2 LEU A 81 -12.769 0.525 -0.687 1.00 61.30 C ATOM 0 H LEU A 81 -8.176 2.094 -0.534 1.00 62.13 H new ATOM 0 HA LEU A 81 -10.880 1.794 0.627 1.00 21.32 H new ATOM 0 HB2 LEU A 81 -10.263 0.719 -1.743 1.00 1.31 H new ATOM 0 HB3 LEU A 81 -9.481 -0.484 -0.736 1.00 1.31 H new ATOM 0 HG LEU A 81 -11.715 -1.199 -1.371 1.00 23.41 H new ATOM 0 HD11 LEU A 81 -12.616 -1.692 0.867 1.00 2.43 H new ATOM 0 HD12 LEU A 81 -10.853 -1.920 0.800 1.00 2.43 H new ATOM 0 HD13 LEU A 81 -11.533 -0.467 1.569 1.00 2.43 H new ATOM 0 HD21 LEU A 81 -13.713 -0.005 -0.558 1.00 61.30 H new ATOM 0 HD22 LEU A 81 -12.672 1.288 0.086 1.00 61.30 H new ATOM 0 HD23 LEU A 81 -12.750 0.999 -1.669 1.00 61.30 H new ATOM 1352 N HIS A 82 -10.025 0.347 2.496 1.00 54.22 N ATOM 1353 CA HIS A 82 -9.476 -0.266 3.699 1.00 61.22 C ATOM 1354 C HIS A 82 -10.005 -1.687 3.875 1.00 40.35 C ATOM 1355 O HIS A 82 -11.191 -1.949 3.668 1.00 23.12 O ATOM 1356 CB HIS A 82 -9.821 0.574 4.929 1.00 52.10 C ATOM 1357 CG HIS A 82 -8.788 1.608 5.258 1.00 61.54 C ATOM 1358 ND1 HIS A 82 -7.755 1.384 6.144 1.00 53.12 N ATOM 1359 CD2 HIS A 82 -8.630 2.875 4.810 1.00 14.11 C ATOM 1360 CE1 HIS A 82 -7.009 2.471 6.230 1.00 65.42 C ATOM 1361 NE2 HIS A 82 -7.518 3.391 5.430 1.00 24.40 N ATOM 0 H HIS A 82 -11.038 0.467 2.509 1.00 54.22 H new ATOM 0 HA HIS A 82 -8.392 -0.311 3.591 1.00 61.22 H new ATOM 0 HB2 HIS A 82 -10.778 1.068 4.764 1.00 52.10 H new ATOM 0 HB3 HIS A 82 -9.947 -0.087 5.786 1.00 52.10 H new ATOM 0 HD1 HIS A 82 -7.592 0.515 6.653 1.00 53.12 H new ATOM 0 HD2 HIS A 82 -9.261 3.386 4.097 1.00 14.11 H new ATOM 0 HE1 HIS A 82 -6.132 2.588 6.849 1.00 65.42 H new ATOM 1370 N CYS A 83 -9.119 -2.600 4.256 1.00 23.12 N ATOM 1371 CA CYS A 83 -9.495 -3.994 4.457 1.00 4.24 C ATOM 1372 C CYS A 83 -8.900 -4.536 5.755 1.00 50.44 C ATOM 1373 O CYS A 83 -7.892 -5.242 5.741 1.00 63.15 O ATOM 1374 CB CYS A 83 -9.029 -4.846 3.275 1.00 24.25 C ATOM 1375 SG CYS A 83 -10.135 -4.779 1.830 1.00 63.13 S ATOM 0 H CYS A 83 -8.135 -2.400 4.432 1.00 23.12 H new ATOM 0 HA CYS A 83 -10.582 -4.045 4.526 1.00 4.24 H new ATOM 0 HB2 CYS A 83 -8.034 -4.517 2.974 1.00 24.25 H new ATOM 0 HB3 CYS A 83 -8.937 -5.882 3.601 1.00 24.25 H new ATOM 1380 N ASP A 84 -9.532 -4.199 6.874 1.00 43.11 N ATOM 1381 CA ASP A 84 -9.066 -4.652 8.180 1.00 32.22 C ATOM 1382 C ASP A 84 -9.366 -6.134 8.380 1.00 33.10 C ATOM 1383 O ASP A 84 -10.291 -6.679 7.774 1.00 10.44 O ATOM 1384 CB ASP A 84 -9.723 -3.832 9.291 1.00 33.33 C ATOM 1385 CG ASP A 84 -9.151 -4.148 10.659 1.00 3.20 C ATOM 1386 OD1 ASP A 84 -8.046 -3.655 10.969 1.00 42.24 O ATOM 1387 OD2 ASP A 84 -9.808 -4.888 11.421 1.00 74.12 O ATOM 0 H ASP A 84 -10.367 -3.614 6.903 1.00 43.11 H new ATOM 0 HA ASP A 84 -7.986 -4.509 8.223 1.00 32.22 H new ATOM 0 HB2 ASP A 84 -9.591 -2.770 9.082 1.00 33.33 H new ATOM 0 HB3 ASP A 84 -10.796 -4.025 9.295 1.00 33.33 H new ATOM 1392 N LEU A 85 -8.578 -6.782 9.230 1.00 21.30 N ATOM 1393 CA LEU A 85 -8.758 -8.203 9.509 1.00 31.40 C ATOM 1394 C LEU A 85 -9.922 -8.427 10.470 1.00 54.12 C ATOM 1395 O LEU A 85 -9.839 -8.084 11.649 1.00 35.44 O ATOM 1396 CB LEU A 85 -7.476 -8.794 10.098 1.00 4.21 C ATOM 1397 CG LEU A 85 -7.396 -10.321 10.136 1.00 54.43 C ATOM 1398 CD1 LEU A 85 -7.340 -10.887 8.726 1.00 73.40 C ATOM 1399 CD2 LEU A 85 -6.187 -10.771 10.943 1.00 64.44 C ATOM 0 H LEU A 85 -7.808 -6.347 9.738 1.00 21.30 H new ATOM 0 HA LEU A 85 -8.985 -8.706 8.569 1.00 31.40 H new ATOM 0 HB2 LEU A 85 -6.629 -8.420 9.522 1.00 4.21 H new ATOM 0 HB3 LEU A 85 -7.361 -8.419 11.115 1.00 4.21 H new ATOM 0 HG LEU A 85 -8.294 -10.702 10.622 1.00 54.43 H new ATOM 0 HD11 LEU A 85 -7.283 -11.975 8.772 1.00 73.40 H new ATOM 0 HD12 LEU A 85 -8.237 -10.593 8.180 1.00 73.40 H new ATOM 0 HD13 LEU A 85 -6.460 -10.499 8.213 1.00 73.40 H new ATOM 0 HD21 LEU A 85 -6.146 -11.860 10.960 1.00 64.44 H new ATOM 0 HD22 LEU A 85 -5.278 -10.380 10.485 1.00 64.44 H new ATOM 0 HD23 LEU A 85 -6.270 -10.395 11.963 1.00 64.44 H new ATOM 1411 N ILE A 86 -11.003 -9.003 9.956 1.00 32.34 N ATOM 1412 CA ILE A 86 -12.182 -9.275 10.770 1.00 23.41 C ATOM 1413 C ILE A 86 -12.018 -10.570 11.559 1.00 14.35 C ATOM 1414 O ILE A 86 -12.997 -11.155 12.021 1.00 11.44 O ATOM 1415 CB ILE A 86 -13.452 -9.372 9.905 1.00 72.04 C ATOM 1416 CG1 ILE A 86 -13.465 -8.261 8.852 1.00 33.32 C ATOM 1417 CG2 ILE A 86 -14.695 -9.296 10.778 1.00 70.12 C ATOM 1418 CD1 ILE A 86 -14.400 -8.536 7.695 1.00 54.33 C ATOM 0 H ILE A 86 -11.087 -9.290 8.981 1.00 32.34 H new ATOM 0 HA ILE A 86 -12.287 -8.440 11.463 1.00 23.41 H new ATOM 0 HB ILE A 86 -13.451 -10.333 9.392 1.00 72.04 H new ATOM 0 HG12 ILE A 86 -13.754 -7.324 9.328 1.00 33.32 H new ATOM 0 HG13 ILE A 86 -12.454 -8.124 8.467 1.00 33.32 H new ATOM 0 HG21 ILE A 86 -15.584 -9.366 10.152 1.00 70.12 H new ATOM 0 HG22 ILE A 86 -14.689 -10.119 11.492 1.00 70.12 H new ATOM 0 HG23 ILE A 86 -14.704 -8.348 11.316 1.00 70.12 H new ATOM 0 HD11 ILE A 86 -14.358 -7.707 6.988 1.00 54.33 H new ATOM 0 HD12 ILE A 86 -14.098 -9.456 7.194 1.00 54.33 H new ATOM 0 HD13 ILE A 86 -15.419 -8.643 8.068 1.00 54.33 H new ATOM 1430 N ASN A 87 -10.774 -11.010 11.712 1.00 63.15 N ATOM 1431 CA ASN A 87 -10.482 -12.235 12.447 1.00 21.52 C ATOM 1432 C ASN A 87 -9.323 -12.023 13.417 1.00 22.51 C ATOM 1433 O ASN A 87 -8.154 -12.206 13.076 1.00 72.51 O ATOM 1434 CB ASN A 87 -10.149 -13.370 11.477 1.00 61.23 C ATOM 1435 CG ASN A 87 -10.836 -13.204 10.135 1.00 62.32 C ATOM 1436 OD1 ASN A 87 -10.290 -12.331 9.296 1.00 11.01 O flip ATOM 1437 ND2 ASN A 87 -11.844 -13.853 9.856 1.00 75.54 N flip ATOM 0 H ASN A 87 -9.952 -10.537 11.337 1.00 63.15 H new ATOM 0 HA ASN A 87 -11.369 -12.506 13.021 1.00 21.52 H new ATOM 0 HB2 ASN A 87 -9.070 -13.411 11.327 1.00 61.23 H new ATOM 0 HB3 ASN A 87 -10.446 -14.321 11.919 1.00 61.23 H new ATOM 0 HD21 ASN A 87 -12.229 -14.513 10.532 1.00 75.54 H new ATOM 0 HD22 ASN A 87 -12.294 -13.731 8.949 1.00 75.54 H new ATOM 1444 N PRO A 88 -9.653 -11.631 14.656 1.00 4.41 N ATOM 1445 CA PRO A 88 -8.654 -11.388 15.702 1.00 55.45 C ATOM 1446 C PRO A 88 -7.991 -12.673 16.181 1.00 31.44 C ATOM 1447 O PRO A 88 -8.629 -13.514 16.813 1.00 33.40 O ATOM 1448 CB PRO A 88 -9.470 -10.753 16.831 1.00 71.15 C ATOM 1449 CG PRO A 88 -10.859 -11.249 16.619 1.00 31.54 C ATOM 1450 CD PRO A 88 -11.026 -11.393 15.132 1.00 61.41 C ATOM 0 HA PRO A 88 -7.835 -10.763 15.346 1.00 55.45 H new ATOM 0 HB2 PRO A 88 -9.089 -11.048 17.809 1.00 71.15 H new ATOM 0 HB3 PRO A 88 -9.427 -9.665 16.787 1.00 71.15 H new ATOM 0 HG2 PRO A 88 -11.014 -12.203 17.123 1.00 31.54 H new ATOM 0 HG3 PRO A 88 -11.589 -10.551 17.028 1.00 31.54 H new ATOM 0 HD2 PRO A 88 -11.688 -12.222 14.880 1.00 61.41 H new ATOM 0 HD3 PRO A 88 -11.456 -10.495 14.687 1.00 61.41 H new ATOM 1458 N GLY A 89 -6.706 -12.821 15.876 1.00 44.23 N ATOM 1459 CA GLY A 89 -5.978 -14.008 16.284 1.00 3.21 C ATOM 1460 C GLY A 89 -5.954 -15.073 15.205 1.00 3.35 C ATOM 1461 O GLY A 89 -5.372 -16.141 15.392 1.00 22.33 O ATOM 0 H GLY A 89 -6.156 -12.140 15.353 1.00 44.23 H new ATOM 0 HA2 GLY A 89 -4.955 -13.733 16.541 1.00 3.21 H new ATOM 0 HA3 GLY A 89 -6.434 -14.418 17.185 1.00 3.21 H new ATOM 1465 N ALA A 90 -6.589 -14.783 14.075 1.00 51.41 N ATOM 1466 CA ALA A 90 -6.638 -15.724 12.962 1.00 12.32 C ATOM 1467 C ALA A 90 -5.270 -15.869 12.306 1.00 54.15 C ATOM 1468 O ALA A 90 -4.529 -14.894 12.173 1.00 75.52 O ATOM 1469 CB ALA A 90 -7.673 -15.278 11.939 1.00 2.42 C ATOM 0 H ALA A 90 -7.077 -13.904 13.905 1.00 51.41 H new ATOM 0 HA ALA A 90 -6.928 -16.699 13.354 1.00 12.32 H new ATOM 0 HB1 ALA A 90 -7.699 -15.990 11.114 1.00 2.42 H new ATOM 0 HB2 ALA A 90 -8.655 -15.233 12.410 1.00 2.42 H new ATOM 0 HB3 ALA A 90 -7.408 -14.291 11.559 1.00 2.42 H new ATOM 1475 N GLN A 91 -4.941 -17.089 11.897 1.00 62.30 N ATOM 1476 CA GLN A 91 -3.660 -17.361 11.255 1.00 12.11 C ATOM 1477 C GLN A 91 -3.855 -18.154 9.967 1.00 43.15 C ATOM 1478 O GLN A 91 -3.429 -19.303 9.864 1.00 72.25 O ATOM 1479 CB GLN A 91 -2.742 -18.128 12.207 1.00 64.15 C ATOM 1480 CG GLN A 91 -1.262 -17.911 11.933 1.00 54.23 C ATOM 1481 CD GLN A 91 -0.373 -18.796 12.783 1.00 12.00 C ATOM 1482 OE1 GLN A 91 0.254 -19.730 12.282 1.00 52.21 O ATOM 1483 NE2 GLN A 91 -0.315 -18.508 14.078 1.00 13.23 N ATOM 0 H GLN A 91 -5.544 -17.906 11.998 1.00 62.30 H new ATOM 0 HA GLN A 91 -3.196 -16.407 11.005 1.00 12.11 H new ATOM 0 HB2 GLN A 91 -2.961 -17.827 13.231 1.00 64.15 H new ATOM 0 HB3 GLN A 91 -2.964 -19.193 12.134 1.00 64.15 H new ATOM 0 HG2 GLN A 91 -1.060 -18.105 10.880 1.00 54.23 H new ATOM 0 HG3 GLN A 91 -1.012 -16.866 12.119 1.00 54.23 H new ATOM 0 HE21 GLN A 91 -0.851 -17.725 14.451 1.00 13.23 H new ATOM 0 HE22 GLN A 91 0.266 -19.070 14.700 1.00 13.23 H new ATOM 1492 N ASN A 92 -4.500 -17.531 8.986 1.00 61.13 N ATOM 1493 CA ASN A 92 -4.751 -18.178 7.704 1.00 32.51 C ATOM 1494 C ASN A 92 -5.212 -17.163 6.662 1.00 35.33 C ATOM 1495 O ASN A 92 -5.716 -16.093 7.004 1.00 31.04 O ATOM 1496 CB ASN A 92 -5.804 -19.278 7.862 1.00 71.32 C ATOM 1497 CG ASN A 92 -7.006 -18.816 8.663 1.00 72.54 C ATOM 1498 OD1 ASN A 92 -7.948 -18.242 8.115 1.00 64.42 O ATOM 1499 ND2 ASN A 92 -6.979 -19.065 9.967 1.00 54.23 N ATOM 0 H ASN A 92 -4.858 -16.578 9.055 1.00 61.13 H new ATOM 0 HA ASN A 92 -3.817 -18.624 7.362 1.00 32.51 H new ATOM 0 HB2 ASN A 92 -6.132 -19.607 6.876 1.00 71.32 H new ATOM 0 HB3 ASN A 92 -5.354 -20.141 8.353 1.00 71.32 H new ATOM 0 HD21 ASN A 92 -7.760 -18.778 10.557 1.00 54.23 H new ATOM 0 HD22 ASN A 92 -6.178 -19.543 10.378 1.00 54.23 H new ATOM 1506 N ILE A 93 -5.036 -17.508 5.391 1.00 53.43 N ATOM 1507 CA ILE A 93 -5.436 -16.627 4.300 1.00 64.12 C ATOM 1508 C ILE A 93 -6.642 -17.188 3.555 1.00 72.05 C ATOM 1509 O ILE A 93 -7.539 -16.445 3.156 1.00 4.40 O ATOM 1510 CB ILE A 93 -4.284 -16.412 3.300 1.00 53.20 C ATOM 1511 CG1 ILE A 93 -3.778 -17.756 2.773 1.00 30.14 C ATOM 1512 CG2 ILE A 93 -3.152 -15.633 3.956 1.00 22.51 C ATOM 1513 CD1 ILE A 93 -2.799 -17.626 1.627 1.00 31.33 C ATOM 0 H ILE A 93 -4.620 -18.390 5.091 1.00 53.43 H new ATOM 0 HA ILE A 93 -5.702 -15.670 4.748 1.00 64.12 H new ATOM 0 HB ILE A 93 -4.658 -15.831 2.457 1.00 53.20 H new ATOM 0 HG12 ILE A 93 -3.301 -18.300 3.588 1.00 30.14 H new ATOM 0 HG13 ILE A 93 -4.630 -18.353 2.447 1.00 30.14 H new ATOM 0 HG21 ILE A 93 -2.345 -15.489 3.237 1.00 22.51 H new ATOM 0 HG22 ILE A 93 -3.522 -14.662 4.286 1.00 22.51 H new ATOM 0 HG23 ILE A 93 -2.777 -16.190 4.815 1.00 22.51 H new ATOM 0 HD11 ILE A 93 -2.483 -18.618 1.304 1.00 31.33 H new ATOM 0 HD12 ILE A 93 -3.279 -17.110 0.795 1.00 31.33 H new ATOM 0 HD13 ILE A 93 -1.929 -17.056 1.954 1.00 31.33 H new ATOM 1525 N SER A 94 -6.659 -18.504 3.372 1.00 25.31 N ATOM 1526 CA SER A 94 -7.754 -19.166 2.673 1.00 55.14 C ATOM 1527 C SER A 94 -9.101 -18.745 3.254 1.00 73.03 C ATOM 1528 O SER A 94 -10.116 -18.745 2.559 1.00 72.31 O ATOM 1529 CB SER A 94 -7.600 -20.685 2.760 1.00 73.15 C ATOM 1530 OG SER A 94 -6.571 -21.143 1.900 1.00 61.22 O ATOM 0 H SER A 94 -5.926 -19.134 3.698 1.00 25.31 H new ATOM 0 HA SER A 94 -7.719 -18.865 1.626 1.00 55.14 H new ATOM 0 HB2 SER A 94 -7.375 -20.973 3.787 1.00 73.15 H new ATOM 0 HB3 SER A 94 -8.542 -21.165 2.494 1.00 73.15 H new ATOM 0 HG SER A 94 -6.491 -22.117 1.975 1.00 61.22 H new ATOM 1536 N ASN A 95 -9.101 -18.388 4.533 1.00 4.43 N ATOM 1537 CA ASN A 95 -10.322 -17.966 5.210 1.00 41.11 C ATOM 1538 C ASN A 95 -10.103 -16.658 5.963 1.00 2.01 C ATOM 1539 O ASN A 95 -10.500 -16.521 7.120 1.00 34.12 O ATOM 1540 CB ASN A 95 -10.794 -19.053 6.178 1.00 15.13 C ATOM 1541 CG ASN A 95 -11.086 -20.366 5.478 1.00 43.21 C ATOM 1542 OD1 ASN A 95 -10.230 -20.914 4.784 1.00 4.13 O ATOM 1543 ND2 ASN A 95 -12.298 -20.875 5.656 1.00 35.05 N ATOM 0 H ASN A 95 -8.269 -18.382 5.123 1.00 4.43 H new ATOM 0 HA ASN A 95 -11.090 -17.804 4.454 1.00 41.11 H new ATOM 0 HB2 ASN A 95 -10.031 -19.213 6.940 1.00 15.13 H new ATOM 0 HB3 ASN A 95 -11.692 -18.712 6.693 1.00 15.13 H new ATOM 0 HD21 ASN A 95 -12.552 -21.756 5.209 1.00 35.05 H new ATOM 0 HD22 ASN A 95 -12.976 -20.386 6.240 1.00 35.05 H new ATOM 1550 N CYS A 96 -9.468 -15.699 5.299 1.00 70.05 N ATOM 1551 CA CYS A 96 -9.195 -14.401 5.904 1.00 42.33 C ATOM 1552 C CYS A 96 -10.210 -13.360 5.440 1.00 22.41 C ATOM 1553 O CYS A 96 -10.144 -12.873 4.311 1.00 12.42 O ATOM 1554 CB CYS A 96 -7.779 -13.938 5.553 1.00 23.03 C ATOM 1555 SG CYS A 96 -7.414 -12.222 6.041 1.00 14.13 S ATOM 0 H CYS A 96 -9.132 -15.796 4.341 1.00 70.05 H new ATOM 0 HA CYS A 96 -9.278 -14.508 6.986 1.00 42.33 H new ATOM 0 HB2 CYS A 96 -7.061 -14.602 6.035 1.00 23.03 H new ATOM 0 HB3 CYS A 96 -7.632 -14.037 4.478 1.00 23.03 H new ATOM 1560 N ARG A 97 -11.149 -13.026 6.320 1.00 54.35 N ATOM 1561 CA ARG A 97 -12.179 -12.044 6.001 1.00 54.35 C ATOM 1562 C ARG A 97 -11.646 -10.623 6.162 1.00 44.31 C ATOM 1563 O ARG A 97 -11.152 -10.252 7.227 1.00 45.32 O ATOM 1564 CB ARG A 97 -13.401 -12.246 6.898 1.00 12.04 C ATOM 1565 CG ARG A 97 -14.246 -13.450 6.516 1.00 51.32 C ATOM 1566 CD ARG A 97 -15.660 -13.336 7.064 1.00 44.12 C ATOM 1567 NE ARG A 97 -16.446 -14.540 6.806 1.00 3.31 N ATOM 1568 CZ ARG A 97 -17.523 -14.877 7.506 1.00 60.22 C ATOM 1569 NH1 ARG A 97 -17.941 -14.106 8.500 1.00 4.12 N ATOM 1570 NH2 ARG A 97 -18.185 -15.989 7.211 1.00 12.20 N ATOM 0 H ARG A 97 -11.218 -13.420 7.258 1.00 54.35 H new ATOM 0 HA ARG A 97 -12.472 -12.187 4.961 1.00 54.35 H new ATOM 0 HB2 ARG A 97 -13.069 -12.359 7.930 1.00 12.04 H new ATOM 0 HB3 ARG A 97 -14.021 -11.351 6.859 1.00 12.04 H new ATOM 0 HG2 ARG A 97 -14.282 -13.541 5.430 1.00 51.32 H new ATOM 0 HG3 ARG A 97 -13.779 -14.359 6.897 1.00 51.32 H new ATOM 0 HD2 ARG A 97 -15.619 -13.153 8.138 1.00 44.12 H new ATOM 0 HD3 ARG A 97 -16.155 -12.476 6.613 1.00 44.12 H new ATOM 0 HE ARG A 97 -16.152 -15.155 6.047 1.00 3.31 H new ATOM 0 HH11 ARG A 97 -17.435 -13.251 8.729 1.00 4.12 H new ATOM 0 HH12 ARG A 97 -18.769 -14.368 9.035 1.00 4.12 H new ATOM 0 HH21 ARG A 97 -17.866 -16.585 6.447 1.00 12.20 H new ATOM 0 HH22 ARG A 97 -19.012 -16.248 7.749 1.00 12.20 H new ATOM 1584 N TYR A 98 -11.747 -9.834 5.098 1.00 24.21 N ATOM 1585 CA TYR A 98 -11.272 -8.456 5.120 1.00 31.03 C ATOM 1586 C TYR A 98 -12.442 -7.477 5.125 1.00 11.33 C ATOM 1587 O TYR A 98 -13.253 -7.457 4.201 1.00 74.45 O ATOM 1588 CB TYR A 98 -10.371 -8.186 3.914 1.00 0.43 C ATOM 1589 CG TYR A 98 -8.905 -8.436 4.185 1.00 13.44 C ATOM 1590 CD1 TYR A 98 -8.308 -7.983 5.355 1.00 31.34 C ATOM 1591 CD2 TYR A 98 -8.116 -9.123 3.271 1.00 34.13 C ATOM 1592 CE1 TYR A 98 -6.968 -8.210 5.607 1.00 54.43 C ATOM 1593 CE2 TYR A 98 -6.776 -9.354 3.515 1.00 33.24 C ATOM 1594 CZ TYR A 98 -6.207 -8.896 4.684 1.00 13.21 C ATOM 1595 OH TYR A 98 -4.873 -9.123 4.931 1.00 64.25 O ATOM 0 H TYR A 98 -12.154 -10.126 4.209 1.00 24.21 H new ATOM 0 HA TYR A 98 -10.697 -8.311 6.034 1.00 31.03 H new ATOM 0 HB2 TYR A 98 -10.691 -8.816 3.084 1.00 0.43 H new ATOM 0 HB3 TYR A 98 -10.502 -7.151 3.598 1.00 0.43 H new ATOM 0 HD1 TYR A 98 -8.901 -7.445 6.080 1.00 31.34 H new ATOM 0 HD2 TYR A 98 -8.558 -9.483 2.354 1.00 34.13 H new ATOM 0 HE1 TYR A 98 -6.519 -7.852 6.522 1.00 54.43 H new ATOM 0 HE2 TYR A 98 -6.177 -9.891 2.794 1.00 33.24 H new ATOM 0 HH TYR A 98 -4.687 -10.083 4.868 1.00 64.25 H new ATOM 1605 N ALA A 99 -12.521 -6.665 6.175 1.00 33.34 N ATOM 1606 CA ALA A 99 -13.588 -5.681 6.301 1.00 33.22 C ATOM 1607 C ALA A 99 -13.368 -4.506 5.354 1.00 22.31 C ATOM 1608 O ALA A 99 -12.466 -3.694 5.558 1.00 64.43 O ATOM 1609 CB ALA A 99 -13.688 -5.191 7.739 1.00 40.25 C ATOM 0 H ALA A 99 -11.858 -6.670 6.950 1.00 33.34 H new ATOM 0 HA ALA A 99 -14.526 -6.163 6.027 1.00 33.22 H new ATOM 0 HB1 ALA A 99 -14.489 -4.456 7.818 1.00 40.25 H new ATOM 0 HB2 ALA A 99 -13.902 -6.034 8.396 1.00 40.25 H new ATOM 0 HB3 ALA A 99 -12.744 -4.732 8.033 1.00 40.25 H new ATOM 1615 N ASP A 100 -14.196 -4.424 4.318 1.00 0.20 N ATOM 1616 CA ASP A 100 -14.091 -3.349 3.339 1.00 42.50 C ATOM 1617 C ASP A 100 -14.560 -2.024 3.934 1.00 31.41 C ATOM 1618 O ASP A 100 -15.617 -1.954 4.562 1.00 35.50 O ATOM 1619 CB ASP A 100 -14.913 -3.682 2.093 1.00 24.33 C ATOM 1620 CG ASP A 100 -16.395 -3.800 2.392 1.00 64.14 C ATOM 1621 OD1 ASP A 100 -16.742 -4.226 3.513 1.00 74.13 O ATOM 1622 OD2 ASP A 100 -17.208 -3.466 1.504 1.00 45.41 O ATOM 0 H ASP A 100 -14.947 -5.089 4.135 1.00 0.20 H new ATOM 0 HA ASP A 100 -13.043 -3.249 3.057 1.00 42.50 H new ATOM 0 HB2 ASP A 100 -14.757 -2.908 1.341 1.00 24.33 H new ATOM 0 HB3 ASP A 100 -14.556 -4.619 1.665 1.00 24.33 H new ATOM 1627 N ARG A 101 -13.767 -0.978 3.734 1.00 41.23 N ATOM 1628 CA ARG A 101 -14.101 0.344 4.252 1.00 4.21 C ATOM 1629 C ARG A 101 -13.530 1.439 3.355 1.00 14.23 C ATOM 1630 O ARG A 101 -12.330 1.715 3.356 1.00 10.14 O ATOM 1631 CB ARG A 101 -13.565 0.506 5.677 1.00 70.53 C ATOM 1632 CG ARG A 101 -14.228 1.633 6.452 1.00 74.33 C ATOM 1633 CD ARG A 101 -13.587 2.976 6.140 1.00 74.24 C ATOM 1634 NE ARG A 101 -14.263 4.076 6.821 1.00 1.24 N ATOM 1635 CZ ARG A 101 -14.060 4.387 8.097 1.00 44.12 C ATOM 1636 NH1 ARG A 101 -13.204 3.683 8.825 1.00 2.52 N ATOM 1637 NH2 ARG A 101 -14.714 5.403 8.646 1.00 3.31 N ATOM 0 H ARG A 101 -12.889 -1.019 3.217 1.00 41.23 H new ATOM 0 HA ARG A 101 -15.187 0.439 4.266 1.00 4.21 H new ATOM 0 HB2 ARG A 101 -13.708 -0.429 6.218 1.00 70.53 H new ATOM 0 HB3 ARG A 101 -12.491 0.689 5.634 1.00 70.53 H new ATOM 0 HG2 ARG A 101 -15.289 1.669 6.207 1.00 74.33 H new ATOM 0 HG3 ARG A 101 -14.155 1.433 7.521 1.00 74.33 H new ATOM 0 HD2 ARG A 101 -12.539 2.955 6.437 1.00 74.24 H new ATOM 0 HD3 ARG A 101 -13.610 3.147 5.064 1.00 74.24 H new ATOM 0 HE ARG A 101 -14.928 4.637 6.288 1.00 1.24 H new ATOM 0 HH11 ARG A 101 -12.700 2.901 8.406 1.00 2.52 H new ATOM 0 HH12 ARG A 101 -13.049 3.923 9.804 1.00 2.52 H new ATOM 0 HH21 ARG A 101 -15.373 5.946 8.088 1.00 3.31 H new ATOM 0 HH22 ARG A 101 -14.557 5.641 9.625 1.00 3.31 H new ATOM 1651 N PRO A 102 -14.410 2.079 2.571 1.00 54.52 N ATOM 1652 CA PRO A 102 -14.018 3.154 1.655 1.00 43.12 C ATOM 1653 C PRO A 102 -13.605 4.422 2.394 1.00 41.55 C ATOM 1654 O PRO A 102 -14.044 4.672 3.515 1.00 31.41 O ATOM 1655 CB PRO A 102 -15.286 3.402 0.835 1.00 51.44 C ATOM 1656 CG PRO A 102 -16.401 2.952 1.715 1.00 25.12 C ATOM 1657 CD PRO A 102 -15.855 1.803 2.518 1.00 22.44 C ATOM 0 HA PRO A 102 -13.152 2.881 1.053 1.00 43.12 H new ATOM 0 HB2 PRO A 102 -15.389 4.455 0.574 1.00 51.44 H new ATOM 0 HB3 PRO A 102 -15.269 2.842 -0.100 1.00 51.44 H new ATOM 0 HG2 PRO A 102 -16.735 3.760 2.366 1.00 25.12 H new ATOM 0 HG3 PRO A 102 -17.263 2.641 1.125 1.00 25.12 H new ATOM 0 HD2 PRO A 102 -16.294 1.766 3.515 1.00 22.44 H new ATOM 0 HD3 PRO A 102 -16.064 0.845 2.042 1.00 22.44 H new ATOM 1665 N GLY A 103 -12.756 5.223 1.756 1.00 40.42 N ATOM 1666 CA GLY A 103 -12.298 6.458 2.368 1.00 1.15 C ATOM 1667 C GLY A 103 -11.506 7.322 1.407 1.00 12.10 C ATOM 1668 O GLY A 103 -10.897 6.818 0.465 1.00 64.50 O ATOM 0 H GLY A 103 -12.377 5.039 0.827 1.00 40.42 H new ATOM 0 HA2 GLY A 103 -13.158 7.020 2.733 1.00 1.15 H new ATOM 0 HA3 GLY A 103 -11.680 6.223 3.235 1.00 1.15 H new ATOM 1672 N ARG A 104 -11.518 8.630 1.644 1.00 44.25 N ATOM 1673 CA ARG A 104 -10.798 9.568 0.790 1.00 32.14 C ATOM 1674 C ARG A 104 -9.854 10.438 1.614 1.00 1.12 C ATOM 1675 O ARG A 104 -10.293 11.316 2.357 1.00 41.12 O ATOM 1676 CB ARG A 104 -11.783 10.450 0.022 1.00 52.43 C ATOM 1677 CG ARG A 104 -11.126 11.314 -1.042 1.00 42.12 C ATOM 1678 CD ARG A 104 -12.021 12.473 -1.451 1.00 32.31 C ATOM 1679 NE ARG A 104 -11.411 13.296 -2.491 1.00 14.44 N ATOM 1680 CZ ARG A 104 -11.269 12.902 -3.751 1.00 23.42 C ATOM 1681 NH1 ARG A 104 -11.692 11.702 -4.125 1.00 41.35 N ATOM 1682 NH2 ARG A 104 -10.703 13.708 -4.641 1.00 3.33 N ATOM 0 H ARG A 104 -12.018 9.064 2.420 1.00 44.25 H new ATOM 0 HA ARG A 104 -10.206 8.993 0.079 1.00 32.14 H new ATOM 0 HB2 ARG A 104 -12.534 9.816 -0.450 1.00 52.43 H new ATOM 0 HB3 ARG A 104 -12.308 11.094 0.728 1.00 52.43 H new ATOM 0 HG2 ARG A 104 -10.179 11.700 -0.665 1.00 42.12 H new ATOM 0 HG3 ARG A 104 -10.896 10.705 -1.916 1.00 42.12 H new ATOM 0 HD2 ARG A 104 -12.975 12.085 -1.809 1.00 32.31 H new ATOM 0 HD3 ARG A 104 -12.235 13.091 -0.579 1.00 32.31 H new ATOM 0 HE ARG A 104 -11.075 14.225 -2.236 1.00 14.44 H new ATOM 0 HH11 ARG A 104 -12.127 11.080 -3.444 1.00 41.35 H new ATOM 0 HH12 ARG A 104 -11.582 11.401 -5.093 1.00 41.35 H new ATOM 0 HH21 ARG A 104 -10.376 14.632 -4.357 1.00 3.33 H new ATOM 0 HH22 ARG A 104 -10.595 13.404 -5.608 1.00 3.33 H new ATOM 1696 N ARG A 105 -8.555 10.189 1.476 1.00 35.13 N ATOM 1697 CA ARG A 105 -7.550 10.949 2.209 1.00 25.53 C ATOM 1698 C ARG A 105 -6.163 10.736 1.608 1.00 31.34 C ATOM 1699 O ARG A 105 -6.014 10.063 0.588 1.00 51.22 O ATOM 1700 CB ARG A 105 -7.547 10.542 3.683 1.00 0.31 C ATOM 1701 CG ARG A 105 -8.764 11.030 4.453 1.00 25.11 C ATOM 1702 CD ARG A 105 -8.517 11.015 5.953 1.00 23.41 C ATOM 1703 NE ARG A 105 -9.623 11.612 6.696 1.00 21.41 N ATOM 1704 CZ ARG A 105 -10.824 11.053 6.800 1.00 11.43 C ATOM 1705 NH1 ARG A 105 -11.072 9.890 6.214 1.00 53.12 N ATOM 1706 NH2 ARG A 105 -11.780 11.658 7.494 1.00 41.41 N ATOM 0 H ARG A 105 -8.175 9.467 0.864 1.00 35.13 H new ATOM 0 HA ARG A 105 -7.802 12.007 2.132 1.00 25.53 H new ATOM 0 HB2 ARG A 105 -7.497 9.455 3.751 1.00 0.31 H new ATOM 0 HB3 ARG A 105 -6.647 10.933 4.157 1.00 0.31 H new ATOM 0 HG2 ARG A 105 -9.016 12.042 4.135 1.00 25.11 H new ATOM 0 HG3 ARG A 105 -9.621 10.399 4.218 1.00 25.11 H new ATOM 0 HD2 ARG A 105 -8.370 9.988 6.286 1.00 23.41 H new ATOM 0 HD3 ARG A 105 -7.597 11.557 6.174 1.00 23.41 H new ATOM 0 HE ARG A 105 -9.465 12.506 7.160 1.00 21.41 H new ATOM 0 HH11 ARG A 105 -10.340 9.421 5.681 1.00 53.12 H new ATOM 0 HH12 ARG A 105 -11.995 9.464 6.296 1.00 53.12 H new ATOM 0 HH21 ARG A 105 -11.593 12.552 7.948 1.00 41.41 H new ATOM 0 HH22 ARG A 105 -12.702 11.229 7.574 1.00 41.41 H new ATOM 1720 N PHE A 106 -5.152 11.314 2.248 1.00 32.31 N ATOM 1721 CA PHE A 106 -3.779 11.189 1.776 1.00 43.51 C ATOM 1722 C PHE A 106 -3.191 9.835 2.163 1.00 15.40 C ATOM 1723 O PHE A 106 -3.857 9.014 2.793 1.00 35.14 O ATOM 1724 CB PHE A 106 -2.916 12.314 2.350 1.00 41.41 C ATOM 1725 CG PHE A 106 -3.504 13.682 2.151 1.00 41.31 C ATOM 1726 CD1 PHE A 106 -3.551 14.255 0.891 1.00 43.14 C ATOM 1727 CD2 PHE A 106 -4.010 14.396 3.226 1.00 33.52 C ATOM 1728 CE1 PHE A 106 -4.092 15.513 0.704 1.00 1.33 C ATOM 1729 CE2 PHE A 106 -4.554 15.653 3.046 1.00 40.42 C ATOM 1730 CZ PHE A 106 -4.594 16.213 1.784 1.00 42.34 C ATOM 0 H PHE A 106 -5.258 11.873 3.094 1.00 32.31 H new ATOM 0 HA PHE A 106 -3.787 11.264 0.689 1.00 43.51 H new ATOM 0 HB2 PHE A 106 -2.771 12.141 3.416 1.00 41.41 H new ATOM 0 HB3 PHE A 106 -1.931 12.279 1.884 1.00 41.41 H new ATOM 0 HD1 PHE A 106 -3.160 13.712 0.044 1.00 43.14 H new ATOM 0 HD2 PHE A 106 -3.979 13.965 4.216 1.00 33.52 H new ATOM 0 HE1 PHE A 106 -4.122 15.948 -0.284 1.00 1.33 H new ATOM 0 HE2 PHE A 106 -4.948 16.197 3.891 1.00 40.42 H new ATOM 0 HZ PHE A 106 -5.017 17.196 1.642 1.00 42.34 H new ATOM 1740 N TYR A 107 -1.939 9.609 1.780 1.00 30.32 N ATOM 1741 CA TYR A 107 -1.262 8.354 2.084 1.00 30.01 C ATOM 1742 C TYR A 107 0.239 8.570 2.244 1.00 22.40 C ATOM 1743 O TYR A 107 0.879 9.211 1.411 1.00 52.20 O ATOM 1744 CB TYR A 107 -1.526 7.327 0.982 1.00 72.23 C ATOM 1745 CG TYR A 107 -1.273 7.857 -0.412 1.00 34.22 C ATOM 1746 CD1 TYR A 107 0.021 7.995 -0.899 1.00 74.03 C ATOM 1747 CD2 TYR A 107 -2.328 8.220 -1.241 1.00 3.34 C ATOM 1748 CE1 TYR A 107 0.257 8.480 -2.171 1.00 71.22 C ATOM 1749 CE2 TYR A 107 -2.101 8.703 -2.515 1.00 30.34 C ATOM 1750 CZ TYR A 107 -0.807 8.832 -2.976 1.00 32.12 C ATOM 1751 OH TYR A 107 -0.577 9.314 -4.243 1.00 70.05 O ATOM 0 H TYR A 107 -1.373 10.278 1.259 1.00 30.32 H new ATOM 0 HA TYR A 107 -1.659 7.976 3.026 1.00 30.01 H new ATOM 0 HB2 TYR A 107 -0.894 6.455 1.150 1.00 72.23 H new ATOM 0 HB3 TYR A 107 -2.560 6.990 1.051 1.00 72.23 H new ATOM 0 HD1 TYR A 107 0.856 7.719 -0.273 1.00 74.03 H new ATOM 0 HD2 TYR A 107 -3.342 8.123 -0.883 1.00 3.34 H new ATOM 0 HE1 TYR A 107 1.269 8.583 -2.533 1.00 71.22 H new ATOM 0 HE2 TYR A 107 -2.932 8.978 -3.147 1.00 30.34 H new ATOM 0 HH TYR A 107 -1.433 9.513 -4.677 1.00 70.05 H new ATOM 1761 N VAL A 108 0.797 8.027 3.322 1.00 52.24 N ATOM 1762 CA VAL A 108 2.224 8.158 3.592 1.00 2.30 C ATOM 1763 C VAL A 108 2.982 6.908 3.159 1.00 64.01 C ATOM 1764 O VAL A 108 2.932 5.876 3.826 1.00 5.24 O ATOM 1765 CB VAL A 108 2.491 8.413 5.088 1.00 50.32 C ATOM 1766 CG1 VAL A 108 3.985 8.385 5.376 1.00 34.22 C ATOM 1767 CG2 VAL A 108 1.883 9.740 5.518 1.00 70.54 C ATOM 0 H VAL A 108 0.283 7.493 4.022 1.00 52.24 H new ATOM 0 HA VAL A 108 2.578 9.013 3.016 1.00 2.30 H new ATOM 0 HB VAL A 108 2.018 7.618 5.665 1.00 50.32 H new ATOM 0 HG11 VAL A 108 4.154 8.567 6.437 1.00 34.22 H new ATOM 0 HG12 VAL A 108 4.389 7.409 5.106 1.00 34.22 H new ATOM 0 HG13 VAL A 108 4.483 9.159 4.791 1.00 34.22 H new ATOM 0 HG21 VAL A 108 2.081 9.905 6.577 1.00 70.54 H new ATOM 0 HG22 VAL A 108 2.326 10.549 4.936 1.00 70.54 H new ATOM 0 HG23 VAL A 108 0.806 9.719 5.349 1.00 70.54 H new ATOM 1777 N VAL A 109 3.685 7.010 2.035 1.00 33.12 N ATOM 1778 CA VAL A 109 4.455 5.888 1.512 1.00 43.33 C ATOM 1779 C VAL A 109 5.953 6.167 1.587 1.00 34.40 C ATOM 1780 O VAL A 109 6.410 7.253 1.232 1.00 45.15 O ATOM 1781 CB VAL A 109 4.076 5.578 0.052 1.00 74.33 C ATOM 1782 CG1 VAL A 109 2.621 5.938 -0.209 1.00 0.02 C ATOM 1783 CG2 VAL A 109 4.996 6.317 -0.907 1.00 3.40 C ATOM 0 H VAL A 109 3.737 7.858 1.470 1.00 33.12 H new ATOM 0 HA VAL A 109 4.216 5.025 2.133 1.00 43.33 H new ATOM 0 HB VAL A 109 4.198 4.508 -0.117 1.00 74.33 H new ATOM 0 HG11 VAL A 109 2.371 5.712 -1.246 1.00 0.02 H new ATOM 0 HG12 VAL A 109 1.978 5.359 0.454 1.00 0.02 H new ATOM 0 HG13 VAL A 109 2.470 7.001 -0.023 1.00 0.02 H new ATOM 0 HG21 VAL A 109 4.713 6.086 -1.934 1.00 3.40 H new ATOM 0 HG22 VAL A 109 4.909 7.391 -0.740 1.00 3.40 H new ATOM 0 HG23 VAL A 109 6.026 6.005 -0.736 1.00 3.40 H new ATOM 1793 N ALA A 110 6.711 5.180 2.051 1.00 10.04 N ATOM 1794 CA ALA A 110 8.157 5.317 2.170 1.00 0.54 C ATOM 1795 C ALA A 110 8.848 5.020 0.845 1.00 54.53 C ATOM 1796 O ALA A 110 9.000 3.861 0.458 1.00 44.41 O ATOM 1797 CB ALA A 110 8.687 4.399 3.261 1.00 13.03 C ATOM 0 H ALA A 110 6.347 4.276 2.351 1.00 10.04 H new ATOM 0 HA ALA A 110 8.377 6.350 2.441 1.00 0.54 H new ATOM 0 HB1 ALA A 110 9.768 4.512 3.338 1.00 13.03 H new ATOM 0 HB2 ALA A 110 8.226 4.661 4.213 1.00 13.03 H new ATOM 0 HB3 ALA A 110 8.447 3.365 3.014 1.00 13.03 H new ATOM 1803 N CYS A 111 9.264 6.075 0.151 1.00 45.25 N ATOM 1804 CA CYS A 111 9.939 5.928 -1.134 1.00 20.45 C ATOM 1805 C CYS A 111 11.448 5.807 -0.945 1.00 53.22 C ATOM 1806 O CYS A 111 12.071 6.647 -0.296 1.00 4.22 O ATOM 1807 CB CYS A 111 9.620 7.119 -2.039 1.00 61.43 C ATOM 1808 SG CYS A 111 7.974 7.043 -2.817 1.00 64.13 S ATOM 0 H CYS A 111 9.146 7.041 0.457 1.00 45.25 H new ATOM 0 HA CYS A 111 9.576 5.015 -1.605 1.00 20.45 H new ATOM 0 HB2 CYS A 111 9.691 8.036 -1.454 1.00 61.43 H new ATOM 0 HB3 CYS A 111 10.377 7.180 -2.821 1.00 61.43 H new ATOM 1813 N ASP A 112 12.029 4.758 -1.517 1.00 21.10 N ATOM 1814 CA ASP A 112 13.465 4.528 -1.413 1.00 11.02 C ATOM 1815 C ASP A 112 14.052 4.141 -2.767 1.00 24.35 C ATOM 1816 O ASP A 112 13.353 3.609 -3.628 1.00 33.30 O ATOM 1817 CB ASP A 112 13.755 3.434 -0.384 1.00 74.23 C ATOM 1818 CG ASP A 112 15.118 3.591 0.259 1.00 11.45 C ATOM 1819 OD1 ASP A 112 15.572 4.743 0.413 1.00 51.34 O ATOM 1820 OD2 ASP A 112 15.732 2.561 0.608 1.00 1.03 O ATOM 0 H ASP A 112 11.527 4.053 -2.058 1.00 21.10 H new ATOM 0 HA ASP A 112 13.935 5.456 -1.086 1.00 11.02 H new ATOM 0 HB2 ASP A 112 12.987 3.454 0.389 1.00 74.23 H new ATOM 0 HB3 ASP A 112 13.695 2.459 -0.868 1.00 74.23 H new ATOM 1825 N ASN A 113 15.341 4.410 -2.946 1.00 74.43 N ATOM 1826 CA ASN A 113 16.022 4.091 -4.195 1.00 52.15 C ATOM 1827 C ASN A 113 15.845 2.618 -4.551 1.00 35.21 C ATOM 1828 O ASN A 113 16.449 1.742 -3.931 1.00 75.10 O ATOM 1829 CB ASN A 113 17.511 4.425 -4.089 1.00 14.24 C ATOM 1830 CG ASN A 113 18.065 4.160 -2.702 1.00 52.43 C ATOM 1831 OD1 ASN A 113 18.312 5.089 -1.932 1.00 73.32 O ATOM 1832 ND2 ASN A 113 18.265 2.888 -2.378 1.00 34.20 N ATOM 0 H ASN A 113 15.935 4.848 -2.242 1.00 74.43 H new ATOM 0 HA ASN A 113 15.576 4.694 -4.986 1.00 52.15 H new ATOM 0 HB2 ASN A 113 18.066 3.835 -4.818 1.00 14.24 H new ATOM 0 HB3 ASN A 113 17.665 5.473 -4.345 1.00 14.24 H new ATOM 0 HD21 ASN A 113 18.638 2.648 -1.459 1.00 34.20 H new ATOM 0 HD22 ASN A 113 18.046 2.151 -3.048 1.00 34.20 H new ATOM 1839 N ARG A 114 15.013 2.352 -5.553 1.00 34.12 N ATOM 1840 CA ARG A 114 14.756 0.986 -5.990 1.00 74.53 C ATOM 1841 C ARG A 114 15.559 0.655 -7.244 1.00 55.24 C ATOM 1842 O ARG A 114 16.247 1.515 -7.797 1.00 32.11 O ATOM 1843 CB ARG A 114 13.263 0.787 -6.260 1.00 74.15 C ATOM 1844 CG ARG A 114 12.485 0.294 -5.051 1.00 62.40 C ATOM 1845 CD ARG A 114 12.754 -1.177 -4.778 1.00 62.40 C ATOM 1846 NE ARG A 114 14.050 -1.386 -4.137 1.00 33.31 N ATOM 1847 CZ ARG A 114 14.343 -0.959 -2.914 1.00 31.00 C ATOM 1848 NH1 ARG A 114 13.436 -0.302 -2.203 1.00 22.34 N ATOM 1849 NH2 ARG A 114 15.544 -1.188 -2.399 1.00 62.14 N ATOM 0 H ARG A 114 14.506 3.065 -6.077 1.00 34.12 H new ATOM 0 HA ARG A 114 15.068 0.312 -5.192 1.00 74.53 H new ATOM 0 HB2 ARG A 114 12.835 1.731 -6.597 1.00 74.15 H new ATOM 0 HB3 ARG A 114 13.142 0.073 -7.075 1.00 74.15 H new ATOM 0 HG2 ARG A 114 12.758 0.884 -4.176 1.00 62.40 H new ATOM 0 HG3 ARG A 114 11.418 0.445 -5.217 1.00 62.40 H new ATOM 0 HD2 ARG A 114 11.966 -1.578 -4.141 1.00 62.40 H new ATOM 0 HD3 ARG A 114 12.719 -1.732 -5.715 1.00 62.40 H new ATOM 0 HE ARG A 114 14.770 -1.888 -4.657 1.00 33.31 H new ATOM 0 HH11 ARG A 114 12.511 -0.124 -2.595 1.00 22.34 H new ATOM 0 HH12 ARG A 114 13.663 0.025 -1.264 1.00 22.34 H new ATOM 0 HH21 ARG A 114 16.244 -1.693 -2.942 1.00 62.14 H new ATOM 0 HH22 ARG A 114 15.767 -0.859 -1.460 1.00 62.14 H new ATOM 1863 N ASP A 115 15.466 -0.593 -7.688 1.00 43.10 N ATOM 1864 CA ASP A 115 16.184 -1.037 -8.877 1.00 44.35 C ATOM 1865 C ASP A 115 15.662 -0.328 -10.124 1.00 21.13 C ATOM 1866 O ASP A 115 14.460 -0.125 -10.294 1.00 31.24 O ATOM 1867 CB ASP A 115 16.052 -2.551 -9.044 1.00 5.51 C ATOM 1868 CG ASP A 115 17.264 -3.168 -9.715 1.00 2.24 C ATOM 1869 OD1 ASP A 115 17.328 -3.146 -10.962 1.00 14.54 O ATOM 1870 OD2 ASP A 115 18.149 -3.674 -8.993 1.00 14.51 O ATOM 0 H ASP A 115 14.900 -1.316 -7.243 1.00 43.10 H new ATOM 0 HA ASP A 115 17.237 -0.784 -8.750 1.00 44.35 H new ATOM 0 HB2 ASP A 115 15.909 -3.010 -8.066 1.00 5.51 H new ATOM 0 HB3 ASP A 115 15.162 -2.772 -9.633 1.00 5.51 H new ATOM 1875 N PRO A 116 16.585 0.058 -11.016 1.00 42.31 N ATOM 1876 CA PRO A 116 16.242 0.751 -12.262 1.00 11.34 C ATOM 1877 C PRO A 116 15.524 -0.160 -13.252 1.00 22.52 C ATOM 1878 O PRO A 116 15.213 0.247 -14.372 1.00 11.43 O ATOM 1879 CB PRO A 116 17.603 1.178 -12.818 1.00 11.33 C ATOM 1880 CG PRO A 116 18.571 0.205 -12.238 1.00 32.24 C ATOM 1881 CD PRO A 116 18.036 -0.151 -10.878 1.00 43.14 C ATOM 0 HA PRO A 116 15.557 1.582 -12.091 1.00 11.34 H new ATOM 0 HB2 PRO A 116 17.614 1.145 -13.907 1.00 11.33 H new ATOM 0 HB3 PRO A 116 17.847 2.200 -12.527 1.00 11.33 H new ATOM 0 HG2 PRO A 116 18.658 -0.681 -12.867 1.00 32.24 H new ATOM 0 HG3 PRO A 116 19.567 0.642 -12.163 1.00 32.24 H new ATOM 0 HD2 PRO A 116 18.270 -1.182 -10.612 1.00 43.14 H new ATOM 0 HD3 PRO A 116 18.461 0.484 -10.100 1.00 43.14 H new ATOM 1889 N ARG A 117 15.264 -1.394 -12.832 1.00 41.04 N ATOM 1890 CA ARG A 117 14.585 -2.363 -13.684 1.00 73.40 C ATOM 1891 C ARG A 117 13.080 -2.352 -13.426 1.00 10.32 C ATOM 1892 O ARG A 117 12.300 -2.882 -14.217 1.00 63.10 O ATOM 1893 CB ARG A 117 15.143 -3.766 -13.443 1.00 73.23 C ATOM 1894 CG ARG A 117 14.693 -4.384 -12.130 1.00 22.40 C ATOM 1895 CD ARG A 117 14.599 -5.899 -12.230 1.00 12.34 C ATOM 1896 NE ARG A 117 14.605 -6.536 -10.916 1.00 12.01 N ATOM 1897 CZ ARG A 117 14.290 -7.811 -10.716 1.00 14.42 C ATOM 1898 NH1 ARG A 117 13.944 -8.580 -11.739 1.00 24.13 N ATOM 1899 NH2 ARG A 117 14.319 -8.318 -9.490 1.00 11.33 N ATOM 0 H ARG A 117 15.513 -1.746 -11.908 1.00 41.04 H new ATOM 0 HA ARG A 117 14.762 -2.083 -14.722 1.00 73.40 H new ATOM 0 HB2 ARG A 117 14.837 -4.415 -14.264 1.00 73.23 H new ATOM 0 HB3 ARG A 117 16.232 -3.722 -13.460 1.00 73.23 H new ATOM 0 HG2 ARG A 117 15.394 -4.113 -11.340 1.00 22.40 H new ATOM 0 HG3 ARG A 117 13.722 -3.976 -11.848 1.00 22.40 H new ATOM 0 HD2 ARG A 117 13.687 -6.171 -12.761 1.00 12.34 H new ATOM 0 HD3 ARG A 117 15.435 -6.276 -12.819 1.00 12.34 H new ATOM 0 HE ARG A 117 14.865 -5.971 -10.108 1.00 12.01 H new ATOM 0 HH11 ARG A 117 13.919 -8.193 -12.682 1.00 24.13 H new ATOM 0 HH12 ARG A 117 13.703 -9.559 -11.583 1.00 24.13 H new ATOM 0 HH21 ARG A 117 14.583 -7.729 -8.701 1.00 11.33 H new ATOM 0 HH22 ARG A 117 14.077 -9.297 -9.337 1.00 11.33 H new ATOM 1913 N ASP A 118 12.680 -1.744 -12.314 1.00 45.11 N ATOM 1914 CA ASP A 118 11.271 -1.663 -11.951 1.00 73.24 C ATOM 1915 C ASP A 118 10.756 -0.232 -12.086 1.00 63.22 C ATOM 1916 O ASP A 118 9.606 -0.009 -12.465 1.00 43.31 O ATOM 1917 CB ASP A 118 11.060 -2.161 -10.521 1.00 43.21 C ATOM 1918 CG ASP A 118 10.801 -3.653 -10.461 1.00 4.35 C ATOM 1919 OD1 ASP A 118 11.765 -4.430 -10.625 1.00 64.42 O ATOM 1920 OD2 ASP A 118 9.635 -4.044 -10.246 1.00 62.24 O ATOM 0 H ASP A 118 13.313 -1.300 -11.649 1.00 45.11 H new ATOM 0 HA ASP A 118 10.709 -2.299 -12.635 1.00 73.24 H new ATOM 0 HB2 ASP A 118 11.940 -1.923 -9.923 1.00 43.21 H new ATOM 0 HB3 ASP A 118 10.219 -1.631 -10.075 1.00 43.21 H new ATOM 1925 N SER A 119 11.615 0.732 -11.773 1.00 21.22 N ATOM 1926 CA SER A 119 11.246 2.141 -11.854 1.00 21.22 C ATOM 1927 C SER A 119 12.152 2.884 -12.831 1.00 42.25 C ATOM 1928 O SER A 119 13.059 3.619 -12.440 1.00 1.31 O ATOM 1929 CB SER A 119 11.326 2.790 -10.472 1.00 1.45 C ATOM 1930 OG SER A 119 10.385 3.843 -10.348 1.00 23.33 O ATOM 0 H SER A 119 12.571 0.564 -11.461 1.00 21.22 H new ATOM 0 HA SER A 119 10.220 2.203 -12.218 1.00 21.22 H new ATOM 0 HB2 SER A 119 11.141 2.040 -9.703 1.00 1.45 H new ATOM 0 HB3 SER A 119 12.332 3.175 -10.305 1.00 1.45 H new ATOM 0 HG SER A 119 10.621 4.567 -10.965 1.00 23.33 H new ATOM 1936 N PRO A 120 11.902 2.688 -14.134 1.00 44.40 N ATOM 1937 CA PRO A 120 12.683 3.331 -15.195 1.00 42.04 C ATOM 1938 C PRO A 120 12.431 4.834 -15.272 1.00 31.42 C ATOM 1939 O PRO A 120 13.370 5.630 -15.279 1.00 73.25 O ATOM 1940 CB PRO A 120 12.188 2.641 -16.469 1.00 23.34 C ATOM 1941 CG PRO A 120 10.813 2.172 -16.135 1.00 54.53 C ATOM 1942 CD PRO A 120 10.837 1.825 -14.673 1.00 11.42 C ATOM 0 HA PRO A 120 13.755 3.230 -15.028 1.00 42.04 H new ATOM 0 HB2 PRO A 120 12.177 3.330 -17.314 1.00 23.34 H new ATOM 0 HB3 PRO A 120 12.835 1.808 -16.745 1.00 23.34 H new ATOM 0 HG2 PRO A 120 10.076 2.948 -16.340 1.00 54.53 H new ATOM 0 HG3 PRO A 120 10.539 1.306 -16.737 1.00 54.53 H new ATOM 0 HD2 PRO A 120 9.877 2.026 -14.197 1.00 11.42 H new ATOM 0 HD3 PRO A 120 11.057 0.769 -14.514 1.00 11.42 H new ATOM 1950 N ARG A 121 11.159 5.214 -15.327 1.00 21.32 N ATOM 1951 CA ARG A 121 10.783 6.620 -15.403 1.00 44.20 C ATOM 1952 C ARG A 121 11.080 7.334 -14.087 1.00 3.00 C ATOM 1953 O ARG A 121 11.572 8.462 -14.079 1.00 4.32 O ATOM 1954 CB ARG A 121 9.299 6.757 -15.746 1.00 65.32 C ATOM 1955 CG ARG A 121 8.381 6.025 -14.782 1.00 0.55 C ATOM 1956 CD ARG A 121 7.041 5.701 -15.424 1.00 24.22 C ATOM 1957 NE ARG A 121 7.139 4.579 -16.354 1.00 73.04 N ATOM 1958 CZ ARG A 121 6.294 4.384 -17.361 1.00 52.23 C ATOM 1959 NH1 ARG A 121 5.296 5.232 -17.567 1.00 52.52 N ATOM 1960 NH2 ARG A 121 6.448 3.340 -18.165 1.00 44.31 N ATOM 0 H ARG A 121 10.371 4.567 -15.320 1.00 21.32 H new ATOM 0 HA ARG A 121 11.375 7.085 -16.191 1.00 44.20 H new ATOM 0 HB2 ARG A 121 9.033 7.814 -15.756 1.00 65.32 H new ATOM 0 HB3 ARG A 121 9.131 6.377 -16.754 1.00 65.32 H new ATOM 0 HG2 ARG A 121 8.860 5.103 -14.452 1.00 0.55 H new ATOM 0 HG3 ARG A 121 8.222 6.637 -13.894 1.00 0.55 H new ATOM 0 HD2 ARG A 121 6.314 5.466 -14.647 1.00 24.22 H new ATOM 0 HD3 ARG A 121 6.670 6.579 -15.953 1.00 24.22 H new ATOM 0 HE ARG A 121 7.897 3.909 -16.224 1.00 73.04 H new ATOM 0 HH11 ARG A 121 5.175 6.037 -16.952 1.00 52.52 H new ATOM 0 HH12 ARG A 121 4.649 5.080 -18.341 1.00 52.52 H new ATOM 0 HH21 ARG A 121 7.215 2.686 -18.010 1.00 44.31 H new ATOM 0 HH22 ARG A 121 5.799 3.191 -18.938 1.00 44.31 H new ATOM 1974 N TYR A 122 10.775 6.669 -12.978 1.00 43.32 N ATOM 1975 CA TYR A 122 11.006 7.241 -11.657 1.00 2.11 C ATOM 1976 C TYR A 122 12.159 6.534 -10.951 1.00 21.41 C ATOM 1977 O TYR A 122 12.254 5.306 -10.938 1.00 20.10 O ATOM 1978 CB TYR A 122 9.737 7.143 -10.808 1.00 53.42 C ATOM 1979 CG TYR A 122 8.461 7.255 -11.611 1.00 60.21 C ATOM 1980 CD1 TYR A 122 8.142 8.427 -12.285 1.00 74.53 C ATOM 1981 CD2 TYR A 122 7.575 6.188 -11.695 1.00 64.22 C ATOM 1982 CE1 TYR A 122 6.976 8.534 -13.020 1.00 24.03 C ATOM 1983 CE2 TYR A 122 6.408 6.285 -12.429 1.00 62.11 C ATOM 1984 CZ TYR A 122 6.113 7.460 -13.089 1.00 44.11 C ATOM 1985 OH TYR A 122 4.952 7.562 -13.820 1.00 31.21 O ATOM 0 H TYR A 122 10.368 5.734 -12.968 1.00 43.32 H new ATOM 0 HA TYR A 122 11.271 8.291 -11.784 1.00 2.11 H new ATOM 0 HB2 TYR A 122 9.739 6.192 -10.275 1.00 53.42 H new ATOM 0 HB3 TYR A 122 9.752 7.930 -10.054 1.00 53.42 H new ATOM 0 HD1 TYR A 122 8.816 9.269 -12.234 1.00 74.53 H new ATOM 0 HD2 TYR A 122 7.802 5.267 -11.178 1.00 64.22 H new ATOM 0 HE1 TYR A 122 6.742 9.453 -13.537 1.00 24.03 H new ATOM 0 HE2 TYR A 122 5.731 5.446 -12.486 1.00 62.11 H new ATOM 0 HH TYR A 122 5.170 7.754 -14.756 1.00 31.21 H new ATOM 1995 N PRO A 123 13.058 7.327 -10.348 1.00 32.11 N ATOM 1996 CA PRO A 123 14.221 6.800 -9.628 1.00 12.21 C ATOM 1997 C PRO A 123 13.830 6.094 -8.334 1.00 20.33 C ATOM 1998 O PRO A 123 14.299 4.991 -8.050 1.00 40.24 O ATOM 1999 CB PRO A 123 15.047 8.053 -9.324 1.00 60.45 C ATOM 2000 CG PRO A 123 14.057 9.166 -9.312 1.00 22.03 C ATOM 2001 CD PRO A 123 13.007 8.798 -10.323 1.00 72.43 C ATOM 0 HA PRO A 123 14.756 6.050 -10.211 1.00 12.21 H new ATOM 0 HB2 PRO A 123 15.558 7.967 -8.365 1.00 60.45 H new ATOM 0 HB3 PRO A 123 15.815 8.214 -10.081 1.00 60.45 H new ATOM 0 HG2 PRO A 123 13.619 9.288 -8.321 1.00 22.03 H new ATOM 0 HG3 PRO A 123 14.531 10.113 -9.569 1.00 22.03 H new ATOM 0 HD2 PRO A 123 12.022 9.161 -10.030 1.00 72.43 H new ATOM 0 HD3 PRO A 123 13.225 9.224 -11.302 1.00 72.43 H new ATOM 2009 N VAL A 124 12.967 6.736 -7.552 1.00 24.50 N ATOM 2010 CA VAL A 124 12.512 6.168 -6.289 1.00 11.33 C ATOM 2011 C VAL A 124 11.065 5.699 -6.386 1.00 4.20 C ATOM 2012 O VAL A 124 10.301 6.178 -7.224 1.00 34.14 O ATOM 2013 CB VAL A 124 12.633 7.187 -5.139 1.00 21.20 C ATOM 2014 CG1 VAL A 124 11.358 8.007 -5.016 1.00 53.43 C ATOM 2015 CG2 VAL A 124 12.949 6.479 -3.830 1.00 63.34 C ATOM 0 H VAL A 124 12.569 7.649 -7.771 1.00 24.50 H new ATOM 0 HA VAL A 124 13.155 5.313 -6.077 1.00 11.33 H new ATOM 0 HB VAL A 124 13.454 7.867 -5.365 1.00 21.20 H new ATOM 0 HG11 VAL A 124 11.462 8.721 -4.199 1.00 53.43 H new ATOM 0 HG12 VAL A 124 11.180 8.545 -5.947 1.00 53.43 H new ATOM 0 HG13 VAL A 124 10.517 7.344 -4.813 1.00 53.43 H new ATOM 0 HG21 VAL A 124 13.031 7.214 -3.029 1.00 63.34 H new ATOM 0 HG22 VAL A 124 12.151 5.774 -3.596 1.00 63.34 H new ATOM 0 HG23 VAL A 124 13.892 5.941 -3.926 1.00 63.34 H new ATOM 2025 N VAL A 125 10.695 4.757 -5.525 1.00 14.54 N ATOM 2026 CA VAL A 125 9.338 4.223 -5.513 1.00 2.44 C ATOM 2027 C VAL A 125 8.929 3.794 -4.107 1.00 63.12 C ATOM 2028 O VAL A 125 9.765 3.573 -3.231 1.00 1.44 O ATOM 2029 CB VAL A 125 9.200 3.020 -6.465 1.00 51.03 C ATOM 2030 CG1 VAL A 125 8.787 3.484 -7.854 1.00 1.22 C ATOM 2031 CG2 VAL A 125 10.500 2.234 -6.521 1.00 62.45 C ATOM 0 H VAL A 125 11.316 4.348 -4.827 1.00 14.54 H new ATOM 0 HA VAL A 125 8.680 5.023 -5.852 1.00 2.44 H new ATOM 0 HB VAL A 125 8.421 2.362 -6.081 1.00 51.03 H new ATOM 0 HG11 VAL A 125 8.694 2.621 -8.513 1.00 1.22 H new ATOM 0 HG12 VAL A 125 7.829 4.000 -7.795 1.00 1.22 H new ATOM 0 HG13 VAL A 125 9.542 4.164 -8.250 1.00 1.22 H new ATOM 0 HG21 VAL A 125 10.385 1.388 -7.198 1.00 62.45 H new ATOM 0 HG22 VAL A 125 11.301 2.880 -6.881 1.00 62.45 H new ATOM 0 HG23 VAL A 125 10.748 1.870 -5.524 1.00 62.45 H new ATOM 2041 N PRO A 126 7.612 3.671 -3.887 1.00 63.20 N ATOM 2042 CA PRO A 126 7.061 3.266 -2.590 1.00 71.23 C ATOM 2043 C PRO A 126 7.351 1.803 -2.268 1.00 15.41 C ATOM 2044 O PRO A 126 7.245 0.934 -3.133 1.00 32.21 O ATOM 2045 CB PRO A 126 5.556 3.488 -2.759 1.00 54.33 C ATOM 2046 CG PRO A 126 5.319 3.379 -4.225 1.00 43.53 C ATOM 2047 CD PRO A 126 6.559 3.917 -4.886 1.00 14.35 C ATOM 0 HA PRO A 126 7.499 3.830 -1.767 1.00 71.23 H new ATOM 0 HB2 PRO A 126 4.982 2.743 -2.209 1.00 54.33 H new ATOM 0 HB3 PRO A 126 5.255 4.465 -2.381 1.00 54.33 H new ATOM 0 HG2 PRO A 126 5.140 2.344 -4.515 1.00 43.53 H new ATOM 0 HG3 PRO A 126 4.439 3.950 -4.522 1.00 43.53 H new ATOM 0 HD2 PRO A 126 6.768 3.405 -5.825 1.00 14.35 H new ATOM 0 HD3 PRO A 126 6.464 4.978 -5.116 1.00 14.35 H new ATOM 2055 N VAL A 127 7.717 1.539 -1.018 1.00 51.10 N ATOM 2056 CA VAL A 127 8.021 0.181 -0.582 1.00 12.13 C ATOM 2057 C VAL A 127 7.369 -0.122 0.762 1.00 32.32 C ATOM 2058 O VAL A 127 7.558 -1.200 1.327 1.00 32.31 O ATOM 2059 CB VAL A 127 9.540 -0.045 -0.465 1.00 51.51 C ATOM 2060 CG1 VAL A 127 10.209 0.111 -1.822 1.00 41.13 C ATOM 2061 CG2 VAL A 127 10.145 0.915 0.549 1.00 14.24 C ATOM 0 H VAL A 127 7.810 2.247 -0.290 1.00 51.10 H new ATOM 0 HA VAL A 127 7.619 -0.492 -1.339 1.00 12.13 H new ATOM 0 HB VAL A 127 9.712 -1.063 -0.116 1.00 51.51 H new ATOM 0 HG11 VAL A 127 11.282 -0.052 -1.720 1.00 41.13 H new ATOM 0 HG12 VAL A 127 9.796 -0.619 -2.518 1.00 41.13 H new ATOM 0 HG13 VAL A 127 10.030 1.117 -2.203 1.00 41.13 H new ATOM 0 HG21 VAL A 127 11.219 0.741 0.619 1.00 14.24 H new ATOM 0 HG22 VAL A 127 9.963 1.942 0.231 1.00 14.24 H new ATOM 0 HG23 VAL A 127 9.687 0.751 1.524 1.00 14.24 H new ATOM 2071 N HIS A 128 6.599 0.835 1.270 1.00 32.44 N ATOM 2072 CA HIS A 128 5.916 0.668 2.548 1.00 52.12 C ATOM 2073 C HIS A 128 4.835 1.730 2.729 1.00 53.44 C ATOM 2074 O HIS A 128 5.013 2.885 2.337 1.00 74.23 O ATOM 2075 CB HIS A 128 6.919 0.744 3.699 1.00 31.34 C ATOM 2076 CG HIS A 128 6.325 1.247 4.979 1.00 32.13 C ATOM 2077 ND1 HIS A 128 6.348 0.526 6.154 1.00 21.30 N ATOM 2078 CD2 HIS A 128 5.691 2.408 5.265 1.00 63.25 C ATOM 2079 CE1 HIS A 128 5.752 1.221 7.107 1.00 73.21 C ATOM 2080 NE2 HIS A 128 5.345 2.367 6.593 1.00 74.33 N ATOM 0 H HIS A 128 6.432 1.733 0.817 1.00 32.44 H new ATOM 0 HA HIS A 128 5.441 -0.313 2.553 1.00 52.12 H new ATOM 0 HB2 HIS A 128 7.341 -0.247 3.868 1.00 31.34 H new ATOM 0 HB3 HIS A 128 7.743 1.396 3.410 1.00 31.34 H new ATOM 0 HD1 HIS A 128 6.761 -0.400 6.270 1.00 21.30 H new ATOM 0 HD2 HIS A 128 5.494 3.216 4.577 1.00 63.25 H new ATOM 0 HE1 HIS A 128 5.620 0.905 8.131 1.00 73.21 H new ATOM 2089 N LEU A 129 3.716 1.333 3.323 1.00 11.45 N ATOM 2090 CA LEU A 129 2.605 2.251 3.556 1.00 65.02 C ATOM 2091 C LEU A 129 2.443 2.544 5.044 1.00 62.32 C ATOM 2092 O LEU A 129 1.979 1.696 5.807 1.00 54.44 O ATOM 2093 CB LEU A 129 1.308 1.665 2.996 1.00 73.20 C ATOM 2094 CG LEU A 129 0.273 2.677 2.503 1.00 71.32 C ATOM 2095 CD1 LEU A 129 -0.489 3.275 3.675 1.00 23.33 C ATOM 2096 CD2 LEU A 129 0.944 3.771 1.686 1.00 52.25 C ATOM 0 H LEU A 129 3.553 0.382 3.653 1.00 11.45 H new ATOM 0 HA LEU A 129 2.826 3.187 3.042 1.00 65.02 H new ATOM 0 HB2 LEU A 129 1.560 1.001 2.169 1.00 73.20 H new ATOM 0 HB3 LEU A 129 0.847 1.051 3.769 1.00 73.20 H new ATOM 0 HG LEU A 129 -0.438 2.157 1.861 1.00 71.32 H new ATOM 0 HD11 LEU A 129 -1.221 3.993 3.305 1.00 23.33 H new ATOM 0 HD12 LEU A 129 -1.002 2.481 4.219 1.00 23.33 H new ATOM 0 HD13 LEU A 129 0.209 3.780 4.343 1.00 23.33 H new ATOM 0 HD21 LEU A 129 0.192 4.482 1.343 1.00 52.25 H new ATOM 0 HD22 LEU A 129 1.678 4.288 2.304 1.00 52.25 H new ATOM 0 HD23 LEU A 129 1.443 3.327 0.824 1.00 52.25 H new ATOM 2108 N ASP A 130 2.828 3.749 5.449 1.00 0.21 N ATOM 2109 CA ASP A 130 2.723 4.155 6.846 1.00 2.42 C ATOM 2110 C ASP A 130 1.263 4.242 7.278 1.00 14.12 C ATOM 2111 O ASP A 130 0.845 3.580 8.228 1.00 34.34 O ATOM 2112 CB ASP A 130 3.412 5.504 7.060 1.00 11.14 C ATOM 2113 CG ASP A 130 4.134 5.581 8.391 1.00 62.13 C ATOM 2114 OD1 ASP A 130 3.877 4.718 9.256 1.00 54.24 O ATOM 2115 OD2 ASP A 130 4.958 6.504 8.566 1.00 30.32 O ATOM 0 H ASP A 130 3.215 4.462 4.830 1.00 0.21 H new ATOM 0 HA ASP A 130 3.220 3.401 7.456 1.00 2.42 H new ATOM 0 HB2 ASP A 130 4.124 5.677 6.253 1.00 11.14 H new ATOM 0 HB3 ASP A 130 2.670 6.300 7.006 1.00 11.14 H new ATOM 2120 N THR A 131 0.490 5.064 6.575 1.00 41.24 N ATOM 2121 CA THR A 131 -0.924 5.239 6.887 1.00 44.44 C ATOM 2122 C THR A 131 -1.627 6.053 5.808 1.00 74.13 C ATOM 2123 O THR A 131 -1.000 6.513 4.853 1.00 71.13 O ATOM 2124 CB THR A 131 -1.116 5.935 8.246 1.00 2.34 C ATOM 2125 OG1 THR A 131 -2.501 5.927 8.609 1.00 22.14 O ATOM 2126 CG2 THR A 131 -0.608 7.369 8.198 1.00 31.31 C ATOM 0 H THR A 131 0.819 5.619 5.785 1.00 41.24 H new ATOM 0 HA THR A 131 -1.364 4.243 6.932 1.00 44.44 H new ATOM 0 HB THR A 131 -0.541 5.388 8.993 1.00 2.34 H new ATOM 0 HG1 THR A 131 -2.615 6.370 9.476 1.00 22.14 H new ATOM 0 HG21 THR A 131 -0.755 7.840 9.170 1.00 31.31 H new ATOM 0 HG22 THR A 131 0.454 7.371 7.950 1.00 31.31 H new ATOM 0 HG23 THR A 131 -1.159 7.925 7.439 1.00 31.31 H new ATOM 2134 N THR A 132 -2.936 6.230 5.965 1.00 61.13 N ATOM 2135 CA THR A 132 -3.726 6.989 5.004 1.00 65.03 C ATOM 2136 C THR A 132 -4.604 8.019 5.705 1.00 20.34 C ATOM 2137 O THR A 132 -5.506 7.664 6.464 1.00 52.05 O ATOM 2138 CB THR A 132 -4.617 6.063 4.154 1.00 14.31 C ATOM 2139 OG1 THR A 132 -4.975 4.900 4.909 1.00 35.31 O ATOM 2140 CG2 THR A 132 -3.904 5.647 2.878 1.00 61.42 C ATOM 0 H THR A 132 -3.471 5.857 6.749 1.00 61.13 H new ATOM 0 HA THR A 132 -3.021 7.503 4.350 1.00 65.03 H new ATOM 0 HB THR A 132 -5.519 6.612 3.883 1.00 14.31 H new ATOM 0 HG1 THR A 132 -5.939 4.743 4.831 1.00 35.31 H new ATOM 0 HG21 THR A 132 -4.553 4.994 2.295 1.00 61.42 H new ATOM 0 HG22 THR A 132 -3.660 6.533 2.292 1.00 61.42 H new ATOM 0 HG23 THR A 132 -2.987 5.115 3.131 1.00 61.42 H new ATOM 2148 N ILE A 133 -4.334 9.293 5.445 1.00 10.24 N ATOM 2149 CA ILE A 133 -5.102 10.374 6.051 1.00 42.42 C ATOM 2150 C ILE A 133 -4.783 11.712 5.390 1.00 13.14 C ATOM 2151 O ILE A 133 -3.689 12.251 5.551 1.00 11.24 O ATOM 2152 CB ILE A 133 -4.826 10.483 7.562 1.00 5.23 C ATOM 2153 CG1 ILE A 133 -5.702 11.571 8.187 1.00 60.55 C ATOM 2154 CG2 ILE A 133 -3.353 10.774 7.813 1.00 63.34 C ATOM 2155 CD1 ILE A 133 -5.112 12.178 9.440 1.00 63.11 C ATOM 0 H ILE A 133 -3.590 9.602 4.819 1.00 10.24 H new ATOM 0 HA ILE A 133 -6.155 10.137 5.899 1.00 42.42 H new ATOM 0 HB ILE A 133 -5.074 9.530 8.030 1.00 5.23 H new ATOM 0 HG12 ILE A 133 -5.865 12.360 7.453 1.00 60.55 H new ATOM 0 HG13 ILE A 133 -6.679 11.148 8.423 1.00 60.55 H new ATOM 0 HG21 ILE A 133 -3.174 10.848 8.886 1.00 63.34 H new ATOM 0 HG22 ILE A 133 -2.747 9.968 7.399 1.00 63.34 H new ATOM 0 HG23 ILE A 133 -3.081 11.715 7.334 1.00 63.34 H new ATOM 0 HD11 ILE A 133 -5.787 12.941 9.827 1.00 63.11 H new ATOM 0 HD12 ILE A 133 -4.974 11.400 10.191 1.00 63.11 H new ATOM 0 HD13 ILE A 133 -4.149 12.631 9.206 1.00 63.11 H new TER 2167 ILE A 133