USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1060 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot 19:sc= 0.00398 USER MOD Set 1.2: A 82 HIS : no HE2:sc= -5.95! C(o=-4.8!,f=-13!) USER MOD Set 1.3: A 132 THR OG1 : rot 137:sc= 1.14 USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 50 ASN : amide:sc= -0.226 X(o=-0.23,f=0.073) USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= -2.9! USER MOD Set 3.2: A 38 LYS NZ :NH3+ -142:sc= -0.287 (180deg=-1.77!) USER MOD Set 4.1: A 27 MET CE :methyl -155:sc= -1.32 (180deg=-1.12) USER MOD Set 4.2: A 31 ASN : amide:sc= -5.36! C(o=-6.3!,f=-14!) USER MOD Set 4.3: A 98 TYR OH : rot 28:sc= 0.414 USER MOD Single : A 4 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.0016) USER MOD Single : A 6 THR OG1 : rot -97:sc= 1.16 USER MOD Single : A 9 GLN : amide:sc= -8.12! K(o=-8.1!,f=-3.1) USER MOD Single : A 14 GLN : amide:sc= -4.59! C(o=-4.6!,f=-3.9!) USER MOD Single : A 15 HIS : no HD1:sc= -3.56! K(o=-3.6!,f=-0.56) USER MOD Single : A 17 SER OG : rot 140:sc= -0.731 USER MOD Single : A 19 ASN : amide:sc= -2.49! K(o=-2.5!,f=-0.95) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0.0235 K(o=0.024,f=-0.78) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 41 ASN : amide:sc= -9.02! C(o=-9!,f=-7.3!) USER MOD Single : A 46 THR OG1 : rot -100:sc= -1.19 USER MOD Single : A 53 ASN : amide:sc= -1.2! K(o=-1.2!,f=-0.44) USER MOD Single : A 57 ASN : amide:sc= -6.02! C(o=-6!,f=-12!) USER MOD Single : A 58 GLN : amide:sc= -0.778 K(o=-0.78,f=-0.054) USER MOD Single : A 59 SER OG : rot 180:sc= 0.00385 USER MOD Single : A 64 HIS : no HD1:sc= -5.36! K(o=-5.4!,f=-3.5) USER MOD Single : A 65 ASN : amide:sc= -3.05! K(o=-3.1!,f=-2.2) USER MOD Single : A 67 THR OG1 : rot 69:sc= 1.14 USER MOD Single : A 69 ASN : amide:sc= 0.472 K(o=0.47,f=-4.2!) USER MOD Single : A 70 ASN : amide:sc= -4.99! C(o=-5!,f=-3.3!) USER MOD Single : A 72 HIS : no HE2:sc= -12.4! C(o=-12!,f=-12!) USER MOD Single : A 74 SER OG : rot 170:sc= -0.017 USER MOD Single : A 87 ASN : amide:sc= -5.37! K(o=-5.4!,f=-0.38) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -5.27! C(o=-5.3!,f=-5.4!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 107 TYR OH : rot 180:sc= -0.36 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 140:sc= -0.868 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= -2.88! K(o=-2.9!,f=-1) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0413 USER MOD ----------------------------------------------------------------- ATOM 25 N PRO A 2 6.967 -12.168 -3.705 1.00 33.25 N ATOM 26 CA PRO A 2 7.556 -13.204 -4.557 1.00 64.35 C ATOM 27 C PRO A 2 8.479 -12.623 -5.622 1.00 65.43 C ATOM 28 O PRO A 2 8.532 -11.412 -5.840 1.00 34.24 O ATOM 29 CB PRO A 2 6.337 -13.864 -5.209 1.00 43.41 C ATOM 30 CG PRO A 2 5.282 -12.812 -5.190 1.00 63.35 C ATOM 31 CD PRO A 2 5.522 -12.007 -3.943 1.00 31.53 C ATOM 0 HA PRO A 2 8.178 -13.894 -3.987 1.00 64.35 H new ATOM 0 HB2 PRO A 2 6.558 -14.185 -6.227 1.00 43.41 H new ATOM 0 HB3 PRO A 2 6.023 -14.750 -4.656 1.00 43.41 H new ATOM 0 HG2 PRO A 2 5.342 -12.183 -6.078 1.00 63.35 H new ATOM 0 HG3 PRO A 2 4.287 -13.257 -5.182 1.00 63.35 H new ATOM 0 HD2 PRO A 2 5.252 -10.960 -4.082 1.00 31.53 H new ATOM 0 HD3 PRO A 2 4.933 -12.379 -3.105 1.00 31.53 H new ATOM 39 N PRO A 3 9.227 -13.504 -6.305 1.00 31.34 N ATOM 40 CA PRO A 3 10.161 -13.101 -7.359 1.00 14.40 C ATOM 41 C PRO A 3 9.444 -12.594 -8.606 1.00 63.43 C ATOM 42 O PRO A 3 10.071 -12.048 -9.513 1.00 41.15 O ATOM 43 CB PRO A 3 10.926 -14.391 -7.668 1.00 73.33 C ATOM 44 CG PRO A 3 9.996 -15.485 -7.272 1.00 60.54 C ATOM 45 CD PRO A 3 9.215 -14.963 -6.098 1.00 72.04 C ATOM 0 HA PRO A 3 10.800 -12.276 -7.044 1.00 14.40 H new ATOM 0 HB2 PRO A 3 11.185 -14.454 -8.725 1.00 73.33 H new ATOM 0 HB3 PRO A 3 11.859 -14.442 -7.107 1.00 73.33 H new ATOM 0 HG2 PRO A 3 9.332 -15.749 -8.095 1.00 60.54 H new ATOM 0 HG3 PRO A 3 10.547 -16.387 -7.004 1.00 60.54 H new ATOM 0 HD2 PRO A 3 8.200 -15.359 -6.082 1.00 72.04 H new ATOM 0 HD3 PRO A 3 9.679 -15.239 -5.151 1.00 72.04 H new ATOM 53 N GLN A 4 8.129 -12.780 -8.643 1.00 33.41 N ATOM 54 CA GLN A 4 7.328 -12.342 -9.780 1.00 54.14 C ATOM 55 C GLN A 4 6.985 -10.860 -9.665 1.00 64.34 C ATOM 56 O GLN A 4 6.730 -10.192 -10.668 1.00 14.24 O ATOM 57 CB GLN A 4 6.045 -13.169 -9.877 1.00 11.43 C ATOM 58 CG GLN A 4 6.256 -14.555 -10.464 1.00 51.31 C ATOM 59 CD GLN A 4 5.068 -15.470 -10.242 1.00 3.43 C ATOM 60 OE1 GLN A 4 4.517 -16.031 -11.189 1.00 55.50 O ATOM 61 NE2 GLN A 4 4.668 -15.627 -8.986 1.00 1.31 N ATOM 0 H GLN A 4 7.596 -13.231 -7.899 1.00 33.41 H new ATOM 0 HA GLN A 4 7.916 -12.491 -10.685 1.00 54.14 H new ATOM 0 HB2 GLN A 4 5.610 -13.267 -8.882 1.00 11.43 H new ATOM 0 HB3 GLN A 4 5.321 -12.631 -10.489 1.00 11.43 H new ATOM 0 HG2 GLN A 4 6.447 -14.467 -11.534 1.00 51.31 H new ATOM 0 HG3 GLN A 4 7.143 -15.003 -10.017 1.00 51.31 H new ATOM 0 HE21 GLN A 4 5.154 -15.142 -8.232 1.00 1.31 H new ATOM 0 HE22 GLN A 4 3.874 -16.232 -8.775 1.00 1.31 H new ATOM 70 N PHE A 5 6.980 -10.353 -8.438 1.00 51.50 N ATOM 71 CA PHE A 5 6.668 -8.949 -8.192 1.00 31.14 C ATOM 72 C PHE A 5 7.694 -8.319 -7.255 1.00 43.31 C ATOM 73 O PHE A 5 7.901 -8.787 -6.136 1.00 4.25 O ATOM 74 CB PHE A 5 5.265 -8.815 -7.595 1.00 10.31 C ATOM 75 CG PHE A 5 4.215 -9.576 -8.352 1.00 64.02 C ATOM 76 CD1 PHE A 5 3.953 -9.285 -9.681 1.00 32.04 C ATOM 77 CD2 PHE A 5 3.491 -10.584 -7.736 1.00 11.31 C ATOM 78 CE1 PHE A 5 2.986 -9.983 -10.380 1.00 42.22 C ATOM 79 CE2 PHE A 5 2.524 -11.286 -8.430 1.00 32.35 C ATOM 80 CZ PHE A 5 2.272 -10.987 -9.754 1.00 51.51 C ATOM 0 H PHE A 5 7.188 -10.892 -7.598 1.00 51.50 H new ATOM 0 HA PHE A 5 6.703 -8.422 -9.146 1.00 31.14 H new ATOM 0 HB2 PHE A 5 5.283 -9.166 -6.563 1.00 10.31 H new ATOM 0 HB3 PHE A 5 4.990 -7.761 -7.568 1.00 10.31 H new ATOM 0 HD1 PHE A 5 4.511 -8.504 -10.176 1.00 32.04 H new ATOM 0 HD2 PHE A 5 3.685 -10.824 -6.701 1.00 11.31 H new ATOM 0 HE1 PHE A 5 2.789 -9.744 -11.415 1.00 42.22 H new ATOM 0 HE2 PHE A 5 1.966 -12.068 -7.937 1.00 32.35 H new ATOM 0 HZ PHE A 5 1.519 -11.536 -10.299 1.00 51.51 H new ATOM 90 N THR A 6 8.336 -7.252 -7.723 1.00 0.24 N ATOM 91 CA THR A 6 9.342 -6.558 -6.929 1.00 23.00 C ATOM 92 C THR A 6 8.718 -5.899 -5.704 1.00 73.23 C ATOM 93 O THR A 6 7.497 -5.771 -5.611 1.00 12.01 O ATOM 94 CB THR A 6 10.070 -5.485 -7.760 1.00 40.45 C ATOM 95 OG1 THR A 6 9.193 -4.965 -8.765 1.00 55.30 O ATOM 96 CG2 THR A 6 11.315 -6.060 -8.417 1.00 23.15 C ATOM 0 H THR A 6 8.177 -6.851 -8.647 1.00 0.24 H new ATOM 0 HA THR A 6 10.063 -7.309 -6.606 1.00 23.00 H new ATOM 0 HB THR A 6 10.371 -4.681 -7.088 1.00 40.45 H new ATOM 0 HG1 THR A 6 9.361 -5.423 -9.615 1.00 55.30 H new ATOM 0 HG21 THR A 6 11.812 -5.283 -8.998 1.00 23.15 H new ATOM 0 HG22 THR A 6 11.995 -6.429 -7.649 1.00 23.15 H new ATOM 0 HG23 THR A 6 11.032 -6.881 -9.076 1.00 23.15 H new ATOM 104 N ARG A 7 9.563 -5.482 -4.767 1.00 41.24 N ATOM 105 CA ARG A 7 9.094 -4.837 -3.547 1.00 72.44 C ATOM 106 C ARG A 7 8.283 -3.585 -3.871 1.00 71.14 C ATOM 107 O ARG A 7 7.456 -3.146 -3.074 1.00 53.44 O ATOM 108 CB ARG A 7 10.278 -4.472 -2.650 1.00 14.05 C ATOM 109 CG ARG A 7 10.719 -5.602 -1.735 1.00 23.31 C ATOM 110 CD ARG A 7 11.515 -5.080 -0.549 1.00 20.11 C ATOM 111 NE ARG A 7 12.353 -6.117 0.048 1.00 61.43 N ATOM 112 CZ ARG A 7 12.794 -6.076 1.300 1.00 60.15 C ATOM 113 NH1 ARG A 7 12.479 -5.055 2.084 1.00 14.24 N ATOM 114 NH2 ARG A 7 13.552 -7.059 1.770 1.00 14.31 N ATOM 0 H ARG A 7 10.576 -5.579 -4.830 1.00 41.24 H new ATOM 0 HA ARG A 7 8.450 -5.540 -3.019 1.00 72.44 H new ATOM 0 HB2 ARG A 7 11.119 -4.173 -3.276 1.00 14.05 H new ATOM 0 HB3 ARG A 7 10.010 -3.607 -2.043 1.00 14.05 H new ATOM 0 HG2 ARG A 7 9.844 -6.144 -1.377 1.00 23.31 H new ATOM 0 HG3 ARG A 7 11.326 -6.312 -2.298 1.00 23.31 H new ATOM 0 HD2 ARG A 7 12.142 -4.248 -0.871 1.00 20.11 H new ATOM 0 HD3 ARG A 7 10.830 -4.690 0.204 1.00 20.11 H new ATOM 0 HE ARG A 7 12.614 -6.917 -0.529 1.00 61.43 H new ATOM 0 HH11 ARG A 7 11.896 -4.298 1.726 1.00 14.24 H new ATOM 0 HH12 ARG A 7 12.819 -5.026 3.045 1.00 14.24 H new ATOM 0 HH21 ARG A 7 13.796 -7.847 1.169 1.00 14.31 H new ATOM 0 HH22 ARG A 7 13.890 -7.027 2.732 1.00 14.31 H new ATOM 128 N ALA A 8 8.528 -3.016 -5.047 1.00 64.10 N ATOM 129 CA ALA A 8 7.820 -1.817 -5.478 1.00 4.32 C ATOM 130 C ALA A 8 6.548 -2.173 -6.240 1.00 2.04 C ATOM 131 O ALA A 8 5.442 -1.885 -5.786 1.00 12.24 O ATOM 132 CB ALA A 8 8.727 -0.948 -6.337 1.00 63.22 C ATOM 0 H ALA A 8 9.212 -3.366 -5.718 1.00 64.10 H new ATOM 0 HA ALA A 8 7.533 -1.256 -4.589 1.00 4.32 H new ATOM 0 HB1 ALA A 8 8.185 -0.056 -6.652 1.00 63.22 H new ATOM 0 HB2 ALA A 8 9.604 -0.655 -5.759 1.00 63.22 H new ATOM 0 HB3 ALA A 8 9.043 -1.510 -7.216 1.00 63.22 H new ATOM 138 N GLN A 9 6.715 -2.800 -7.399 1.00 23.24 N ATOM 139 CA GLN A 9 5.579 -3.195 -8.224 1.00 14.31 C ATOM 140 C GLN A 9 4.613 -4.072 -7.436 1.00 35.01 C ATOM 141 O GLN A 9 3.419 -4.121 -7.735 1.00 55.50 O ATOM 142 CB GLN A 9 6.061 -3.939 -9.470 1.00 71.35 C ATOM 143 CG GLN A 9 6.081 -5.450 -9.307 1.00 11.11 C ATOM 144 CD GLN A 9 4.833 -6.114 -9.856 1.00 41.14 C ATOM 145 OE1 GLN A 9 4.730 -6.371 -11.056 1.00 10.01 O ATOM 146 NE2 GLN A 9 3.876 -6.394 -8.979 1.00 5.42 N ATOM 0 H GLN A 9 7.625 -3.046 -7.788 1.00 23.24 H new ATOM 0 HA GLN A 9 5.053 -2.291 -8.530 1.00 14.31 H new ATOM 0 HB2 GLN A 9 5.415 -3.681 -10.309 1.00 71.35 H new ATOM 0 HB3 GLN A 9 7.064 -3.596 -9.722 1.00 71.35 H new ATOM 0 HG2 GLN A 9 6.956 -5.855 -9.815 1.00 11.11 H new ATOM 0 HG3 GLN A 9 6.184 -5.696 -8.250 1.00 11.11 H new ATOM 0 HE21 GLN A 9 4.004 -6.163 -7.994 1.00 5.42 H new ATOM 0 HE22 GLN A 9 3.013 -6.840 -9.291 1.00 5.42 H new ATOM 155 N TRP A 10 5.135 -4.762 -6.429 1.00 13.43 N ATOM 156 CA TRP A 10 4.317 -5.638 -5.597 1.00 21.11 C ATOM 157 C TRP A 10 3.631 -4.850 -4.487 1.00 33.23 C ATOM 158 O TRP A 10 2.565 -5.236 -4.005 1.00 41.05 O ATOM 159 CB TRP A 10 5.176 -6.751 -4.994 1.00 52.20 C ATOM 160 CG TRP A 10 4.373 -7.821 -4.318 1.00 52.32 C ATOM 161 CD1 TRP A 10 4.551 -8.304 -3.054 1.00 1.12 C ATOM 162 CD2 TRP A 10 3.267 -8.542 -4.873 1.00 14.41 C ATOM 163 NE1 TRP A 10 3.622 -9.282 -2.788 1.00 40.35 N ATOM 164 CE2 TRP A 10 2.822 -9.445 -3.889 1.00 14.23 C ATOM 165 CE3 TRP A 10 2.607 -8.509 -6.105 1.00 13.55 C ATOM 166 CZ2 TRP A 10 1.750 -10.308 -4.100 1.00 64.10 C ATOM 167 CZ3 TRP A 10 1.543 -9.366 -6.313 1.00 43.02 C ATOM 168 CH2 TRP A 10 1.123 -10.255 -5.315 1.00 60.11 C ATOM 0 H TRP A 10 6.121 -4.732 -6.168 1.00 13.43 H new ATOM 0 HA TRP A 10 3.548 -6.084 -6.228 1.00 21.11 H new ATOM 0 HB2 TRP A 10 5.779 -7.202 -5.782 1.00 52.20 H new ATOM 0 HB3 TRP A 10 5.868 -6.316 -4.273 1.00 52.20 H new ATOM 0 HD1 TRP A 10 5.310 -7.967 -2.364 1.00 1.12 H new ATOM 0 HE1 TRP A 10 3.541 -9.802 -1.914 1.00 40.35 H new ATOM 0 HE3 TRP A 10 2.923 -7.826 -6.880 1.00 13.55 H new ATOM 0 HZ2 TRP A 10 1.425 -10.995 -3.332 1.00 64.10 H new ATOM 0 HZ3 TRP A 10 1.026 -9.350 -7.261 1.00 43.02 H new ATOM 0 HH2 TRP A 10 0.288 -10.912 -5.509 1.00 60.11 H new ATOM 179 N PHE A 11 4.247 -3.743 -4.085 1.00 2.23 N ATOM 180 CA PHE A 11 3.695 -2.902 -3.030 1.00 54.21 C ATOM 181 C PHE A 11 2.368 -2.286 -3.463 1.00 33.31 C ATOM 182 O PHE A 11 1.368 -2.377 -2.753 1.00 32.44 O ATOM 183 CB PHE A 11 4.686 -1.796 -2.659 1.00 53.15 C ATOM 184 CG PHE A 11 4.025 -0.526 -2.205 1.00 23.24 C ATOM 185 CD1 PHE A 11 3.506 0.369 -3.126 1.00 2.42 C ATOM 186 CD2 PHE A 11 3.921 -0.228 -0.856 1.00 4.33 C ATOM 187 CE1 PHE A 11 2.898 1.539 -2.710 1.00 11.24 C ATOM 188 CE2 PHE A 11 3.314 0.940 -0.434 1.00 4.25 C ATOM 189 CZ PHE A 11 2.801 1.824 -1.362 1.00 45.13 C ATOM 0 H PHE A 11 5.128 -3.408 -4.474 1.00 2.23 H new ATOM 0 HA PHE A 11 3.517 -3.529 -2.157 1.00 54.21 H new ATOM 0 HB2 PHE A 11 5.342 -2.158 -1.867 1.00 53.15 H new ATOM 0 HB3 PHE A 11 5.316 -1.580 -3.522 1.00 53.15 H new ATOM 0 HD1 PHE A 11 3.577 0.150 -4.181 1.00 2.42 H new ATOM 0 HD2 PHE A 11 4.319 -0.917 -0.125 1.00 4.33 H new ATOM 0 HE1 PHE A 11 2.499 2.229 -3.438 1.00 11.24 H new ATOM 0 HE2 PHE A 11 3.241 1.161 0.621 1.00 4.25 H new ATOM 0 HZ PHE A 11 2.325 2.736 -1.035 1.00 45.13 H new ATOM 199 N ALA A 12 2.369 -1.659 -4.635 1.00 33.32 N ATOM 200 CA ALA A 12 1.165 -1.030 -5.165 1.00 13.12 C ATOM 201 C ALA A 12 0.088 -2.067 -5.460 1.00 34.34 C ATOM 202 O ALA A 12 -1.106 -1.771 -5.399 1.00 70.11 O ATOM 203 CB ALA A 12 1.494 -0.235 -6.420 1.00 72.43 C ATOM 0 H ALA A 12 3.189 -1.573 -5.235 1.00 33.32 H new ATOM 0 HA ALA A 12 0.777 -0.348 -4.408 1.00 13.12 H new ATOM 0 HB1 ALA A 12 0.586 0.229 -6.805 1.00 72.43 H new ATOM 0 HB2 ALA A 12 2.223 0.539 -6.180 1.00 72.43 H new ATOM 0 HB3 ALA A 12 1.909 -0.903 -7.175 1.00 72.43 H new ATOM 209 N ILE A 13 0.516 -3.284 -5.780 1.00 54.44 N ATOM 210 CA ILE A 13 -0.414 -4.365 -6.084 1.00 44.24 C ATOM 211 C ILE A 13 -1.477 -4.496 -5.000 1.00 60.41 C ATOM 212 O ILE A 13 -2.658 -4.679 -5.295 1.00 30.10 O ATOM 213 CB ILE A 13 0.319 -5.712 -6.236 1.00 52.51 C ATOM 214 CG1 ILE A 13 0.704 -5.946 -7.697 1.00 64.34 C ATOM 215 CG2 ILE A 13 -0.551 -6.848 -5.722 1.00 32.13 C ATOM 216 CD1 ILE A 13 -0.354 -6.682 -8.489 1.00 70.42 C ATOM 0 H ILE A 13 1.500 -3.546 -5.835 1.00 54.44 H new ATOM 0 HA ILE A 13 -0.893 -4.113 -7.030 1.00 44.24 H new ATOM 0 HB ILE A 13 1.232 -5.682 -5.641 1.00 52.51 H new ATOM 0 HG12 ILE A 13 0.899 -4.984 -8.172 1.00 64.34 H new ATOM 0 HG13 ILE A 13 1.634 -6.513 -7.733 1.00 64.34 H new ATOM 0 HG21 ILE A 13 -0.020 -7.793 -5.836 1.00 32.13 H new ATOM 0 HG22 ILE A 13 -0.778 -6.684 -4.669 1.00 32.13 H new ATOM 0 HG23 ILE A 13 -1.479 -6.882 -6.293 1.00 32.13 H new ATOM 0 HD11 ILE A 13 -0.014 -6.813 -9.516 1.00 70.42 H new ATOM 0 HD12 ILE A 13 -0.532 -7.658 -8.038 1.00 70.42 H new ATOM 0 HD13 ILE A 13 -1.279 -6.106 -8.484 1.00 70.42 H new ATOM 228 N GLN A 14 -1.050 -4.401 -3.745 1.00 32.40 N ATOM 229 CA GLN A 14 -1.968 -4.509 -2.616 1.00 63.43 C ATOM 230 C GLN A 14 -2.228 -3.142 -1.994 1.00 53.11 C ATOM 231 O GLN A 14 -3.272 -2.915 -1.382 1.00 72.24 O ATOM 232 CB GLN A 14 -1.403 -5.463 -1.563 1.00 24.32 C ATOM 233 CG GLN A 14 0.116 -5.502 -1.529 1.00 45.13 C ATOM 234 CD GLN A 14 0.653 -6.470 -0.493 1.00 52.41 C ATOM 235 OE1 GLN A 14 0.251 -6.437 0.671 1.00 52.10 O ATOM 236 NE2 GLN A 14 1.567 -7.337 -0.909 1.00 44.21 N ATOM 0 H GLN A 14 -0.076 -4.250 -3.484 1.00 32.40 H new ATOM 0 HA GLN A 14 -2.914 -4.905 -2.985 1.00 63.43 H new ATOM 0 HB2 GLN A 14 -1.772 -5.167 -0.581 1.00 24.32 H new ATOM 0 HB3 GLN A 14 -1.780 -6.468 -1.756 1.00 24.32 H new ATOM 0 HG2 GLN A 14 0.490 -5.785 -2.513 1.00 45.13 H new ATOM 0 HG3 GLN A 14 0.496 -4.503 -1.318 1.00 45.13 H new ATOM 0 HE21 GLN A 14 1.871 -7.329 -1.882 1.00 44.21 H new ATOM 0 HE22 GLN A 14 1.965 -8.011 -0.255 1.00 44.21 H new ATOM 245 N HIS A 15 -1.272 -2.233 -2.155 1.00 14.41 N ATOM 246 CA HIS A 15 -1.398 -0.886 -1.609 1.00 13.24 C ATOM 247 C HIS A 15 -2.031 0.057 -2.628 1.00 11.00 C ATOM 248 O HIS A 15 -2.287 1.224 -2.333 1.00 3.50 O ATOM 249 CB HIS A 15 -0.029 -0.353 -1.186 1.00 51.23 C ATOM 250 CG HIS A 15 0.486 -0.962 0.082 1.00 60.53 C ATOM 251 ND1 HIS A 15 -0.189 -0.886 1.282 1.00 42.44 N ATOM 252 CD2 HIS A 15 1.616 -1.664 0.332 1.00 44.50 C ATOM 253 CE1 HIS A 15 0.505 -1.511 2.216 1.00 51.11 C ATOM 254 NE2 HIS A 15 1.605 -1.993 1.665 1.00 34.41 N ATOM 0 H HIS A 15 -0.402 -2.404 -2.659 1.00 14.41 H new ATOM 0 HA HIS A 15 -2.046 -0.936 -0.734 1.00 13.24 H new ATOM 0 HB2 HIS A 15 0.687 -0.540 -1.986 1.00 51.23 H new ATOM 0 HB3 HIS A 15 -0.092 0.728 -1.061 1.00 51.23 H new ATOM 0 HD2 HIS A 15 2.384 -1.918 -0.384 1.00 44.50 H new ATOM 0 HE1 HIS A 15 0.222 -1.611 3.253 1.00 51.11 H new ATOM 0 HE2 HIS A 15 2.328 -2.523 2.151 1.00 34.41 H new ATOM 263 N ILE A 16 -2.281 -0.458 -3.827 1.00 45.13 N ATOM 264 CA ILE A 16 -2.883 0.338 -4.889 1.00 33.24 C ATOM 265 C ILE A 16 -3.890 -0.484 -5.689 1.00 3.14 C ATOM 266 O ILE A 16 -3.540 -1.503 -6.284 1.00 32.04 O ATOM 267 CB ILE A 16 -1.817 0.898 -5.848 1.00 31.20 C ATOM 268 CG1 ILE A 16 -1.381 2.295 -5.402 1.00 23.30 C ATOM 269 CG2 ILE A 16 -2.352 0.933 -7.273 1.00 2.13 C ATOM 270 CD1 ILE A 16 -0.425 2.965 -6.364 1.00 61.30 C ATOM 0 H ILE A 16 -2.076 -1.423 -4.087 1.00 45.13 H new ATOM 0 HA ILE A 16 -3.397 1.169 -4.407 1.00 33.24 H new ATOM 0 HB ILE A 16 -0.947 0.242 -5.823 1.00 31.20 H new ATOM 0 HG12 ILE A 16 -2.265 2.922 -5.284 1.00 23.30 H new ATOM 0 HG13 ILE A 16 -0.908 2.224 -4.423 1.00 23.30 H new ATOM 0 HG21 ILE A 16 -1.587 1.331 -7.939 1.00 2.13 H new ATOM 0 HG22 ILE A 16 -2.617 -0.077 -7.587 1.00 2.13 H new ATOM 0 HG23 ILE A 16 -3.236 1.569 -7.314 1.00 2.13 H new ATOM 0 HD11 ILE A 16 -0.158 3.951 -5.984 1.00 61.30 H new ATOM 0 HD12 ILE A 16 0.475 2.359 -6.463 1.00 61.30 H new ATOM 0 HD13 ILE A 16 -0.902 3.068 -7.339 1.00 61.30 H new ATOM 282 N SER A 17 -5.140 -0.033 -5.698 1.00 51.53 N ATOM 283 CA SER A 17 -6.198 -0.727 -6.423 1.00 44.50 C ATOM 284 C SER A 17 -7.308 0.240 -6.821 1.00 40.04 C ATOM 285 O SER A 17 -7.994 0.803 -5.967 1.00 20.12 O ATOM 286 CB SER A 17 -6.773 -1.858 -5.568 1.00 40.32 C ATOM 287 OG SER A 17 -7.198 -2.941 -6.377 1.00 24.45 O ATOM 0 H SER A 17 -5.445 0.810 -5.211 1.00 51.53 H new ATOM 0 HA SER A 17 -5.766 -1.150 -7.330 1.00 44.50 H new ATOM 0 HB2 SER A 17 -6.019 -2.202 -4.860 1.00 40.32 H new ATOM 0 HB3 SER A 17 -7.613 -1.485 -4.983 1.00 40.32 H new ATOM 0 HG SER A 17 -6.958 -3.787 -5.944 1.00 24.45 H new ATOM 293 N LEU A 18 -7.480 0.430 -8.125 1.00 5.31 N ATOM 294 CA LEU A 18 -8.506 1.329 -8.639 1.00 34.12 C ATOM 295 C LEU A 18 -9.902 0.786 -8.345 1.00 41.43 C ATOM 296 O LEU A 18 -10.737 1.478 -7.764 1.00 70.24 O ATOM 297 CB LEU A 18 -8.332 1.527 -10.146 1.00 64.12 C ATOM 298 CG LEU A 18 -6.900 1.425 -10.674 1.00 71.01 C ATOM 299 CD1 LEU A 18 -6.834 1.873 -12.126 1.00 11.52 C ATOM 300 CD2 LEU A 18 -5.954 2.251 -9.815 1.00 54.53 C ATOM 0 H LEU A 18 -6.921 -0.027 -8.846 1.00 5.31 H new ATOM 0 HA LEU A 18 -8.395 2.290 -8.137 1.00 34.12 H new ATOM 0 HB2 LEU A 18 -8.942 0.786 -10.663 1.00 64.12 H new ATOM 0 HB3 LEU A 18 -8.727 2.507 -10.412 1.00 64.12 H new ATOM 0 HG LEU A 18 -6.587 0.382 -10.622 1.00 71.01 H new ATOM 0 HD11 LEU A 18 -5.808 1.794 -12.485 1.00 11.52 H new ATOM 0 HD12 LEU A 18 -7.481 1.239 -12.732 1.00 11.52 H new ATOM 0 HD13 LEU A 18 -7.166 2.908 -12.203 1.00 11.52 H new ATOM 0 HD21 LEU A 18 -4.940 2.166 -10.206 1.00 54.53 H new ATOM 0 HD22 LEU A 18 -6.264 3.296 -9.834 1.00 54.53 H new ATOM 0 HD23 LEU A 18 -5.979 1.883 -8.789 1.00 54.53 H new ATOM 312 N ASN A 19 -10.146 -0.456 -8.748 1.00 43.51 N ATOM 313 CA ASN A 19 -11.439 -1.092 -8.526 1.00 21.13 C ATOM 314 C ASN A 19 -11.272 -2.427 -7.807 1.00 21.33 C ATOM 315 O ASN A 19 -11.596 -3.490 -8.337 1.00 21.31 O ATOM 316 CB ASN A 19 -12.162 -1.303 -9.857 1.00 61.23 C ATOM 317 CG ASN A 19 -11.202 -1.582 -10.999 1.00 33.42 C ATOM 318 OD1 ASN A 19 -11.032 -2.729 -11.415 1.00 74.23 O ATOM 319 ND2 ASN A 19 -10.569 -0.532 -11.509 1.00 60.50 N ATOM 0 H ASN A 19 -9.465 -1.043 -9.230 1.00 43.51 H new ATOM 0 HA ASN A 19 -12.037 -0.433 -7.896 1.00 21.13 H new ATOM 0 HB2 ASN A 19 -12.859 -2.135 -9.761 1.00 61.23 H new ATOM 0 HB3 ASN A 19 -12.753 -0.417 -10.091 1.00 61.23 H new ATOM 0 HD21 ASN A 19 -9.910 -0.657 -12.278 1.00 60.50 H new ATOM 0 HD22 ASN A 19 -10.742 0.400 -11.132 1.00 60.50 H new ATOM 326 N PRO A 20 -10.756 -2.373 -6.571 1.00 10.04 N ATOM 327 CA PRO A 20 -10.535 -3.569 -5.752 1.00 72.10 C ATOM 328 C PRO A 20 -11.842 -4.200 -5.284 1.00 72.43 C ATOM 329 O PRO A 20 -12.706 -3.541 -4.704 1.00 52.14 O ATOM 330 CB PRO A 20 -9.740 -3.038 -4.556 1.00 61.31 C ATOM 331 CG PRO A 20 -10.110 -1.599 -4.463 1.00 71.14 C ATOM 332 CD PRO A 20 -10.348 -1.141 -5.876 1.00 11.42 C ATOM 0 HA PRO A 20 -10.022 -4.354 -6.307 1.00 72.10 H new ATOM 0 HB2 PRO A 20 -9.997 -3.572 -3.641 1.00 61.31 H new ATOM 0 HB3 PRO A 20 -8.668 -3.162 -4.707 1.00 61.31 H new ATOM 0 HG2 PRO A 20 -11.003 -1.464 -3.853 1.00 71.14 H new ATOM 0 HG3 PRO A 20 -9.314 -1.021 -3.994 1.00 71.14 H new ATOM 0 HD2 PRO A 20 -11.123 -0.377 -5.925 1.00 11.42 H new ATOM 0 HD3 PRO A 20 -9.448 -0.711 -6.316 1.00 11.42 H new ATOM 340 N PRO A 21 -11.994 -5.508 -5.541 1.00 42.40 N ATOM 341 CA PRO A 21 -13.193 -6.257 -5.153 1.00 63.34 C ATOM 342 C PRO A 21 -13.299 -6.440 -3.643 1.00 21.03 C ATOM 343 O PRO A 21 -12.693 -5.695 -2.874 1.00 45.12 O ATOM 344 CB PRO A 21 -13.004 -7.610 -5.844 1.00 75.12 C ATOM 345 CG PRO A 21 -11.531 -7.749 -6.010 1.00 73.11 C ATOM 346 CD PRO A 21 -11.006 -6.357 -6.227 1.00 45.55 C ATOM 0 HA PRO A 21 -14.108 -5.740 -5.441 1.00 63.34 H new ATOM 0 HB2 PRO A 21 -13.413 -8.422 -5.243 1.00 75.12 H new ATOM 0 HB3 PRO A 21 -13.515 -7.638 -6.806 1.00 75.12 H new ATOM 0 HG2 PRO A 21 -11.080 -8.203 -5.128 1.00 73.11 H new ATOM 0 HG3 PRO A 21 -11.293 -8.392 -6.857 1.00 73.11 H new ATOM 0 HD2 PRO A 21 -10.009 -6.234 -5.805 1.00 45.55 H new ATOM 0 HD3 PRO A 21 -10.936 -6.115 -7.287 1.00 45.55 H new ATOM 354 N ARG A 22 -14.073 -7.437 -3.226 1.00 1.10 N ATOM 355 CA ARG A 22 -14.260 -7.718 -1.808 1.00 2.53 C ATOM 356 C ARG A 22 -12.933 -8.085 -1.147 1.00 32.10 C ATOM 357 O ARG A 22 -12.285 -9.059 -1.532 1.00 11.21 O ATOM 358 CB ARG A 22 -15.267 -8.852 -1.617 1.00 60.43 C ATOM 359 CG ARG A 22 -16.451 -8.781 -2.569 1.00 23.01 C ATOM 360 CD ARG A 22 -17.705 -9.371 -1.944 1.00 40.31 C ATOM 361 NE ARG A 22 -18.922 -8.841 -2.554 1.00 0.44 N ATOM 362 CZ ARG A 22 -20.128 -8.960 -2.011 1.00 34.05 C ATOM 363 NH1 ARG A 22 -20.278 -9.586 -0.852 1.00 23.21 N ATOM 364 NH2 ARG A 22 -21.188 -8.451 -2.626 1.00 62.33 N ATOM 0 H ARG A 22 -14.581 -8.064 -3.851 1.00 1.10 H new ATOM 0 HA ARG A 22 -14.647 -6.816 -1.334 1.00 2.53 H new ATOM 0 HB2 ARG A 22 -14.758 -9.806 -1.754 1.00 60.43 H new ATOM 0 HB3 ARG A 22 -15.635 -8.831 -0.591 1.00 60.43 H new ATOM 0 HG2 ARG A 22 -16.635 -7.743 -2.846 1.00 23.01 H new ATOM 0 HG3 ARG A 22 -16.214 -9.318 -3.487 1.00 23.01 H new ATOM 0 HD2 ARG A 22 -17.688 -10.456 -2.052 1.00 40.31 H new ATOM 0 HD3 ARG A 22 -17.712 -9.157 -0.875 1.00 40.31 H new ATOM 0 HE ARG A 22 -18.841 -8.353 -3.446 1.00 0.44 H new ATOM 0 HH11 ARG A 22 -19.466 -9.978 -0.375 1.00 23.21 H new ATOM 0 HH12 ARG A 22 -21.206 -9.676 -0.437 1.00 23.21 H new ATOM 0 HH21 ARG A 22 -21.077 -7.967 -3.517 1.00 62.33 H new ATOM 0 HH22 ARG A 22 -22.114 -8.543 -2.208 1.00 62.33 H new ATOM 378 N CYS A 23 -12.536 -7.299 -0.152 1.00 43.15 N ATOM 379 CA CYS A 23 -11.288 -7.540 0.560 1.00 5.20 C ATOM 380 C CYS A 23 -10.894 -9.012 0.486 1.00 24.41 C ATOM 381 O CYS A 23 -9.734 -9.347 0.242 1.00 41.40 O ATOM 382 CB CYS A 23 -11.420 -7.110 2.023 1.00 44.43 C ATOM 383 SG CYS A 23 -11.566 -5.309 2.257 1.00 60.03 S ATOM 0 H CYS A 23 -13.061 -6.490 0.179 1.00 43.15 H new ATOM 0 HA CYS A 23 -10.507 -6.948 0.082 1.00 5.20 H new ATOM 0 HB2 CYS A 23 -12.296 -7.594 2.456 1.00 44.43 H new ATOM 0 HB3 CYS A 23 -10.552 -7.468 2.576 1.00 44.43 H new ATOM 388 N THR A 24 -11.869 -9.892 0.698 1.00 1.50 N ATOM 389 CA THR A 24 -11.625 -11.328 0.656 1.00 74.22 C ATOM 390 C THR A 24 -10.803 -11.711 -0.569 1.00 3.35 C ATOM 391 O THR A 24 -9.746 -12.331 -0.448 1.00 43.30 O ATOM 392 CB THR A 24 -12.946 -12.121 0.642 1.00 32.30 C ATOM 393 OG1 THR A 24 -13.499 -12.177 1.962 1.00 42.34 O ATOM 394 CG2 THR A 24 -12.724 -13.533 0.119 1.00 0.51 C ATOM 0 H THR A 24 -12.835 -9.634 0.900 1.00 1.50 H new ATOM 0 HA THR A 24 -11.067 -11.580 1.558 1.00 74.22 H new ATOM 0 HB THR A 24 -13.644 -11.610 -0.022 1.00 32.30 H new ATOM 0 HG1 THR A 24 -14.339 -12.681 1.944 1.00 42.34 H new ATOM 0 HG21 THR A 24 -13.670 -14.074 0.118 1.00 0.51 H new ATOM 0 HG22 THR A 24 -12.331 -13.487 -0.897 1.00 0.51 H new ATOM 0 HG23 THR A 24 -12.011 -14.051 0.761 1.00 0.51 H new ATOM 402 N ILE A 25 -11.293 -11.338 -1.745 1.00 71.13 N ATOM 403 CA ILE A 25 -10.602 -11.641 -2.992 1.00 3.32 C ATOM 404 C ILE A 25 -9.655 -10.512 -3.385 1.00 11.42 C ATOM 405 O ILE A 25 -8.674 -10.728 -4.094 1.00 5.23 O ATOM 406 CB ILE A 25 -11.595 -11.886 -4.142 1.00 72.33 C ATOM 407 CG1 ILE A 25 -12.873 -12.537 -3.612 1.00 13.05 C ATOM 408 CG2 ILE A 25 -10.958 -12.754 -5.217 1.00 70.35 C ATOM 409 CD1 ILE A 25 -13.931 -12.747 -4.673 1.00 11.53 C ATOM 0 H ILE A 25 -12.167 -10.825 -1.861 1.00 71.13 H new ATOM 0 HA ILE A 25 -10.027 -12.551 -2.820 1.00 3.32 H new ATOM 0 HB ILE A 25 -11.857 -10.926 -4.586 1.00 72.33 H new ATOM 0 HG12 ILE A 25 -12.622 -13.499 -3.165 1.00 13.05 H new ATOM 0 HG13 ILE A 25 -13.285 -11.915 -2.818 1.00 13.05 H new ATOM 0 HG21 ILE A 25 -11.673 -12.918 -6.023 1.00 70.35 H new ATOM 0 HG22 ILE A 25 -10.074 -12.254 -5.612 1.00 70.35 H new ATOM 0 HG23 ILE A 25 -10.670 -13.713 -4.787 1.00 70.35 H new ATOM 0 HD11 ILE A 25 -14.809 -13.213 -4.225 1.00 11.53 H new ATOM 0 HD12 ILE A 25 -14.210 -11.785 -5.104 1.00 11.53 H new ATOM 0 HD13 ILE A 25 -13.537 -13.395 -5.456 1.00 11.53 H new ATOM 421 N ALA A 26 -9.957 -9.304 -2.916 1.00 24.51 N ATOM 422 CA ALA A 26 -9.132 -8.141 -3.215 1.00 4.43 C ATOM 423 C ALA A 26 -7.700 -8.346 -2.730 1.00 54.43 C ATOM 424 O ALA A 26 -6.752 -7.849 -3.339 1.00 31.32 O ATOM 425 CB ALA A 26 -9.730 -6.892 -2.585 1.00 34.43 C ATOM 0 H ALA A 26 -10.767 -9.107 -2.328 1.00 24.51 H new ATOM 0 HA ALA A 26 -9.108 -8.012 -4.297 1.00 4.43 H new ATOM 0 HB1 ALA A 26 -9.103 -6.031 -2.817 1.00 34.43 H new ATOM 0 HB2 ALA A 26 -10.732 -6.728 -2.982 1.00 34.43 H new ATOM 0 HB3 ALA A 26 -9.785 -7.020 -1.504 1.00 34.43 H new ATOM 431 N MET A 27 -7.550 -9.077 -1.632 1.00 61.31 N ATOM 432 CA MET A 27 -6.233 -9.347 -1.067 1.00 23.15 C ATOM 433 C MET A 27 -5.960 -10.847 -1.016 1.00 64.24 C ATOM 434 O MET A 27 -5.228 -11.325 -0.150 1.00 15.11 O ATOM 435 CB MET A 27 -6.125 -8.751 0.337 1.00 13.40 C ATOM 436 CG MET A 27 -6.826 -9.575 1.404 1.00 22.32 C ATOM 437 SD MET A 27 -6.970 -8.703 2.975 1.00 4.23 S ATOM 438 CE MET A 27 -5.414 -7.816 3.014 1.00 41.45 C ATOM 0 H MET A 27 -8.324 -9.494 -1.115 1.00 61.31 H new ATOM 0 HA MET A 27 -5.487 -8.881 -1.711 1.00 23.15 H new ATOM 0 HB2 MET A 27 -5.072 -8.652 0.600 1.00 13.40 H new ATOM 0 HB3 MET A 27 -6.548 -7.746 0.330 1.00 13.40 H new ATOM 0 HG2 MET A 27 -7.821 -9.847 1.052 1.00 22.32 H new ATOM 0 HG3 MET A 27 -6.278 -10.504 1.558 1.00 22.32 H new ATOM 0 HE1 MET A 27 -5.143 -7.601 4.048 1.00 41.45 H new ATOM 0 HE2 MET A 27 -4.636 -8.426 2.554 1.00 41.45 H new ATOM 0 HE3 MET A 27 -5.515 -6.880 2.464 1.00 41.45 H new ATOM 448 N ARG A 28 -6.552 -11.584 -1.951 1.00 52.12 N ATOM 449 CA ARG A 28 -6.372 -13.028 -2.012 1.00 21.43 C ATOM 450 C ARG A 28 -5.187 -13.393 -2.901 1.00 40.30 C ATOM 451 O ARG A 28 -4.413 -14.295 -2.581 1.00 75.11 O ATOM 452 CB ARG A 28 -7.642 -13.700 -2.538 1.00 71.50 C ATOM 453 CG ARG A 28 -7.876 -13.480 -4.025 1.00 13.43 C ATOM 454 CD ARG A 28 -7.217 -14.567 -4.859 1.00 53.22 C ATOM 455 NE ARG A 28 -7.524 -14.427 -6.280 1.00 40.23 N ATOM 456 CZ ARG A 28 -7.479 -15.435 -7.144 1.00 52.03 C ATOM 457 NH1 ARG A 28 -7.144 -16.650 -6.734 1.00 42.42 N ATOM 458 NH2 ARG A 28 -7.772 -15.228 -8.422 1.00 14.32 N ATOM 0 H ARG A 28 -7.160 -11.204 -2.676 1.00 52.12 H new ATOM 0 HA ARG A 28 -6.170 -13.385 -1.002 1.00 21.43 H new ATOM 0 HB2 ARG A 28 -7.584 -14.771 -2.342 1.00 71.50 H new ATOM 0 HB3 ARG A 28 -8.500 -13.320 -1.984 1.00 71.50 H new ATOM 0 HG2 ARG A 28 -8.947 -13.463 -4.227 1.00 13.43 H new ATOM 0 HG3 ARG A 28 -7.481 -12.507 -4.316 1.00 13.43 H new ATOM 0 HD2 ARG A 28 -6.137 -14.529 -4.716 1.00 53.22 H new ATOM 0 HD3 ARG A 28 -7.551 -15.544 -4.510 1.00 53.22 H new ATOM 0 HE ARG A 28 -7.787 -13.505 -6.628 1.00 40.23 H new ATOM 0 HH11 ARG A 28 -6.920 -16.813 -5.752 1.00 42.42 H new ATOM 0 HH12 ARG A 28 -7.110 -17.422 -7.400 1.00 42.42 H new ATOM 0 HH21 ARG A 28 -8.032 -14.295 -8.741 1.00 14.32 H new ATOM 0 HH22 ARG A 28 -7.737 -16.002 -9.085 1.00 14.32 H new ATOM 472 N ALA A 29 -5.051 -12.684 -4.017 1.00 1.11 N ATOM 473 CA ALA A 29 -3.958 -12.931 -4.950 1.00 73.41 C ATOM 474 C ALA A 29 -2.648 -12.357 -4.426 1.00 51.44 C ATOM 475 O ALA A 29 -1.572 -12.891 -4.698 1.00 43.54 O ATOM 476 CB ALA A 29 -4.288 -12.343 -6.315 1.00 20.35 C ATOM 0 H ALA A 29 -5.684 -11.934 -4.297 1.00 1.11 H new ATOM 0 HA ALA A 29 -3.835 -14.009 -5.051 1.00 73.41 H new ATOM 0 HB1 ALA A 29 -3.464 -12.534 -7.002 1.00 20.35 H new ATOM 0 HB2 ALA A 29 -5.197 -12.805 -6.700 1.00 20.35 H new ATOM 0 HB3 ALA A 29 -4.440 -11.268 -6.221 1.00 20.35 H new ATOM 482 N ILE A 30 -2.745 -11.265 -3.675 1.00 3.04 N ATOM 483 CA ILE A 30 -1.565 -10.618 -3.113 1.00 15.32 C ATOM 484 C ILE A 30 -1.061 -11.367 -1.884 1.00 43.22 C ATOM 485 O ILE A 30 0.074 -11.841 -1.857 1.00 23.41 O ATOM 486 CB ILE A 30 -1.856 -9.156 -2.725 1.00 74.32 C ATOM 487 CG1 ILE A 30 -2.420 -8.390 -3.924 1.00 33.02 C ATOM 488 CG2 ILE A 30 -0.593 -8.484 -2.207 1.00 71.13 C ATOM 489 CD1 ILE A 30 -3.865 -8.721 -4.226 1.00 72.03 C ATOM 0 H ILE A 30 -3.628 -10.810 -3.442 1.00 3.04 H new ATOM 0 HA ILE A 30 -0.797 -10.634 -3.886 1.00 15.32 H new ATOM 0 HB ILE A 30 -2.601 -9.148 -1.929 1.00 74.32 H new ATOM 0 HG12 ILE A 30 -2.332 -7.320 -3.735 1.00 33.02 H new ATOM 0 HG13 ILE A 30 -1.814 -8.609 -4.803 1.00 33.02 H new ATOM 0 HG21 ILE A 30 -0.815 -7.452 -1.937 1.00 71.13 H new ATOM 0 HG22 ILE A 30 -0.230 -9.019 -1.329 1.00 71.13 H new ATOM 0 HG23 ILE A 30 0.172 -8.500 -2.983 1.00 71.13 H new ATOM 0 HD11 ILE A 30 -4.199 -8.142 -5.087 1.00 72.03 H new ATOM 0 HD12 ILE A 30 -3.956 -9.785 -4.446 1.00 72.03 H new ATOM 0 HD13 ILE A 30 -4.483 -8.475 -3.362 1.00 72.03 H new ATOM 501 N ASN A 31 -1.913 -11.470 -0.869 1.00 45.21 N ATOM 502 CA ASN A 31 -1.553 -12.163 0.363 1.00 62.12 C ATOM 503 C ASN A 31 -0.874 -13.495 0.059 1.00 24.15 C ATOM 504 O ASN A 31 -0.111 -14.014 0.874 1.00 13.22 O ATOM 505 CB ASN A 31 -2.797 -12.396 1.222 1.00 25.02 C ATOM 506 CG ASN A 31 -3.449 -11.099 1.661 1.00 62.45 C ATOM 507 OD1 ASN A 31 -3.455 -10.115 0.922 1.00 74.11 O ATOM 508 ND2 ASN A 31 -4.001 -11.093 2.869 1.00 41.52 N ATOM 0 H ASN A 31 -2.857 -11.083 -0.875 1.00 45.21 H new ATOM 0 HA ASN A 31 -0.852 -11.535 0.913 1.00 62.12 H new ATOM 0 HB2 ASN A 31 -3.518 -12.989 0.659 1.00 25.02 H new ATOM 0 HB3 ASN A 31 -2.523 -12.978 2.102 1.00 25.02 H new ATOM 0 HD21 ASN A 31 -4.454 -10.249 3.219 1.00 41.52 H new ATOM 0 HD22 ASN A 31 -3.972 -11.933 3.447 1.00 41.52 H new ATOM 515 N ASN A 32 -1.156 -14.043 -1.118 1.00 52.50 N ATOM 516 CA ASN A 32 -0.572 -15.314 -1.529 1.00 73.24 C ATOM 517 C ASN A 32 0.952 -15.235 -1.539 1.00 33.42 C ATOM 518 O ASN A 32 1.635 -16.250 -1.683 1.00 12.41 O ATOM 519 CB ASN A 32 -1.082 -15.708 -2.917 1.00 53.40 C ATOM 520 CG ASN A 32 -1.193 -17.211 -3.087 1.00 53.52 C ATOM 521 OD1 ASN A 32 -0.213 -17.885 -3.407 1.00 55.45 O ATOM 522 ND2 ASN A 32 -2.391 -17.743 -2.874 1.00 70.22 N ATOM 0 H ASN A 32 -1.786 -13.627 -1.804 1.00 52.50 H new ATOM 0 HA ASN A 32 -0.874 -16.074 -0.808 1.00 73.24 H new ATOM 0 HB2 ASN A 32 -2.058 -15.253 -3.085 1.00 53.40 H new ATOM 0 HB3 ASN A 32 -0.409 -15.308 -3.675 1.00 53.40 H new ATOM 0 HD21 ASN A 32 -2.527 -18.749 -2.974 1.00 70.22 H new ATOM 0 HD22 ASN A 32 -3.175 -17.146 -2.610 1.00 70.22 H new ATOM 529 N TYR A 33 1.477 -14.025 -1.383 1.00 72.23 N ATOM 530 CA TYR A 33 2.919 -13.814 -1.375 1.00 42.24 C ATOM 531 C TYR A 33 3.576 -14.581 -0.232 1.00 11.33 C ATOM 532 O TYR A 33 4.765 -14.899 -0.285 1.00 14.12 O ATOM 533 CB TYR A 33 3.236 -12.323 -1.253 1.00 41.05 C ATOM 534 CG TYR A 33 2.633 -11.674 -0.028 1.00 43.42 C ATOM 535 CD1 TYR A 33 2.987 -12.091 1.249 1.00 22.15 C ATOM 536 CD2 TYR A 33 1.709 -10.642 -0.147 1.00 23.54 C ATOM 537 CE1 TYR A 33 2.438 -11.502 2.371 1.00 14.32 C ATOM 538 CE2 TYR A 33 1.155 -10.047 0.969 1.00 3.43 C ATOM 539 CZ TYR A 33 1.523 -10.480 2.226 1.00 51.01 C ATOM 540 OH TYR A 33 0.974 -9.890 3.342 1.00 54.32 O ATOM 0 H TYR A 33 0.926 -13.176 -1.260 1.00 72.23 H new ATOM 0 HA TYR A 33 3.321 -14.188 -2.317 1.00 42.24 H new ATOM 0 HB2 TYR A 33 4.318 -12.191 -1.229 1.00 41.05 H new ATOM 0 HB3 TYR A 33 2.872 -11.809 -2.143 1.00 41.05 H new ATOM 0 HD1 TYR A 33 3.704 -12.890 1.366 1.00 22.15 H new ATOM 0 HD2 TYR A 33 1.420 -10.300 -1.130 1.00 23.54 H new ATOM 0 HE1 TYR A 33 2.723 -11.840 3.356 1.00 14.32 H new ATOM 0 HE2 TYR A 33 0.438 -9.247 0.858 1.00 3.43 H new ATOM 0 HH TYR A 33 0.349 -9.187 3.067 1.00 54.32 H new ATOM 550 N ARG A 34 2.794 -14.873 0.801 1.00 23.41 N ATOM 551 CA ARG A 34 3.298 -15.603 1.959 1.00 43.30 C ATOM 552 C ARG A 34 2.203 -16.469 2.575 1.00 52.00 C ATOM 553 O ARG A 34 1.078 -16.512 2.077 1.00 41.31 O ATOM 554 CB ARG A 34 3.841 -14.628 3.006 1.00 62.55 C ATOM 555 CG ARG A 34 5.245 -14.130 2.702 1.00 72.03 C ATOM 556 CD ARG A 34 6.301 -15.115 3.178 1.00 31.25 C ATOM 557 NE ARG A 34 7.616 -14.490 3.304 1.00 34.44 N ATOM 558 CZ ARG A 34 8.575 -14.953 4.097 1.00 5.41 C ATOM 559 NH1 ARG A 34 8.370 -16.038 4.830 1.00 30.33 N ATOM 560 NH2 ARG A 34 9.745 -14.329 4.157 1.00 31.34 N ATOM 0 H ARG A 34 1.809 -14.616 0.861 1.00 23.41 H new ATOM 0 HA ARG A 34 4.106 -16.253 1.624 1.00 43.30 H new ATOM 0 HB2 ARG A 34 3.169 -13.773 3.078 1.00 62.55 H new ATOM 0 HB3 ARG A 34 3.841 -15.117 3.980 1.00 62.55 H new ATOM 0 HG2 ARG A 34 5.351 -13.971 1.629 1.00 72.03 H new ATOM 0 HG3 ARG A 34 5.402 -13.165 3.184 1.00 72.03 H new ATOM 0 HD2 ARG A 34 6.003 -15.529 4.141 1.00 31.25 H new ATOM 0 HD3 ARG A 34 6.361 -15.948 2.478 1.00 31.25 H new ATOM 0 HE ARG A 34 7.807 -13.653 2.753 1.00 34.44 H new ATOM 0 HH11 ARG A 34 7.473 -16.521 4.786 1.00 30.33 H new ATOM 0 HH12 ARG A 34 9.110 -16.390 5.438 1.00 30.33 H new ATOM 0 HH21 ARG A 34 9.907 -13.494 3.594 1.00 31.34 H new ATOM 0 HH22 ARG A 34 10.482 -14.684 4.766 1.00 31.34 H new ATOM 574 N TRP A 35 2.541 -17.156 3.661 1.00 70.45 N ATOM 575 CA TRP A 35 1.586 -18.021 4.344 1.00 63.03 C ATOM 576 C TRP A 35 0.940 -17.297 5.520 1.00 21.23 C ATOM 577 O TRP A 35 0.357 -17.925 6.403 1.00 70.40 O ATOM 578 CB TRP A 35 2.280 -19.294 4.832 1.00 31.44 C ATOM 579 CG TRP A 35 2.381 -20.357 3.779 1.00 0.35 C ATOM 580 CD1 TRP A 35 3.381 -20.508 2.862 1.00 22.20 C ATOM 581 CD2 TRP A 35 1.446 -21.413 3.536 1.00 71.42 C ATOM 582 NE1 TRP A 35 3.125 -21.596 2.063 1.00 75.33 N ATOM 583 CE2 TRP A 35 1.943 -22.168 2.456 1.00 24.21 C ATOM 584 CE3 TRP A 35 0.239 -21.796 4.125 1.00 31.00 C ATOM 585 CZ2 TRP A 35 1.274 -23.282 1.955 1.00 72.13 C ATOM 586 CZ3 TRP A 35 -0.425 -22.901 3.627 1.00 11.20 C ATOM 587 CH2 TRP A 35 0.094 -23.634 2.552 1.00 72.44 C ATOM 0 H TRP A 35 3.468 -17.131 4.087 1.00 70.45 H new ATOM 0 HA TRP A 35 0.804 -18.290 3.634 1.00 63.03 H new ATOM 0 HB2 TRP A 35 3.281 -19.042 5.181 1.00 31.44 H new ATOM 0 HB3 TRP A 35 1.735 -19.691 5.688 1.00 31.44 H new ATOM 0 HD1 TRP A 35 4.246 -19.867 2.777 1.00 22.20 H new ATOM 0 HE1 TRP A 35 3.718 -21.925 1.301 1.00 75.33 H new ATOM 0 HE3 TRP A 35 -0.168 -21.238 4.955 1.00 31.00 H new ATOM 0 HZ2 TRP A 35 1.672 -23.848 1.125 1.00 72.13 H new ATOM 0 HZ3 TRP A 35 -1.360 -23.205 4.074 1.00 11.20 H new ATOM 0 HH2 TRP A 35 -0.448 -24.494 2.187 1.00 72.44 H new ATOM 598 N ARG A 36 1.047 -15.973 5.524 1.00 40.12 N ATOM 599 CA ARG A 36 0.474 -15.163 6.592 1.00 12.35 C ATOM 600 C ARG A 36 -0.454 -14.092 6.025 1.00 24.14 C ATOM 601 O ARG A 36 -0.287 -13.651 4.888 1.00 33.43 O ATOM 602 CB ARG A 36 1.583 -14.508 7.417 1.00 50.31 C ATOM 603 CG ARG A 36 1.071 -13.524 8.456 1.00 72.02 C ATOM 604 CD ARG A 36 2.006 -13.438 9.651 1.00 12.44 C ATOM 605 NE ARG A 36 3.026 -12.408 9.475 1.00 44.34 N ATOM 606 CZ ARG A 36 2.836 -11.126 9.765 1.00 31.42 C ATOM 607 NH1 ARG A 36 1.669 -10.718 10.245 1.00 33.43 N ATOM 608 NH2 ARG A 36 3.813 -10.249 9.577 1.00 61.01 N ATOM 0 H ARG A 36 1.525 -15.438 4.799 1.00 40.12 H new ATOM 0 HA ARG A 36 -0.109 -15.820 7.238 1.00 12.35 H new ATOM 0 HB2 ARG A 36 2.158 -15.286 7.919 1.00 50.31 H new ATOM 0 HB3 ARG A 36 2.266 -13.990 6.744 1.00 50.31 H new ATOM 0 HG2 ARG A 36 0.966 -12.538 8.004 1.00 72.02 H new ATOM 0 HG3 ARG A 36 0.079 -13.829 8.790 1.00 72.02 H new ATOM 0 HD2 ARG A 36 1.427 -13.225 10.550 1.00 12.44 H new ATOM 0 HD3 ARG A 36 2.488 -14.403 9.804 1.00 12.44 H new ATOM 0 HE ARG A 36 3.936 -12.689 9.109 1.00 44.34 H new ATOM 0 HH11 ARG A 36 0.915 -11.389 10.392 1.00 33.43 H new ATOM 0 HH12 ARG A 36 1.525 -9.733 10.467 1.00 33.43 H new ATOM 0 HH21 ARG A 36 4.712 -10.559 9.209 1.00 61.01 H new ATOM 0 HH22 ARG A 36 3.665 -9.265 9.800 1.00 61.01 H new ATOM 622 N CYS A 37 -1.431 -13.678 6.826 1.00 24.25 N ATOM 623 CA CYS A 37 -2.385 -12.661 6.405 1.00 15.31 C ATOM 624 C CYS A 37 -2.273 -11.415 7.279 1.00 11.32 C ATOM 625 O CYS A 37 -2.292 -11.500 8.507 1.00 43.24 O ATOM 626 CB CYS A 37 -3.811 -13.213 6.465 1.00 10.34 C ATOM 627 SG CYS A 37 -4.637 -12.964 8.071 1.00 63.52 S ATOM 0 H CYS A 37 -1.582 -14.032 7.771 1.00 24.25 H new ATOM 0 HA CYS A 37 -2.153 -12.384 5.377 1.00 15.31 H new ATOM 0 HB2 CYS A 37 -4.406 -12.739 5.685 1.00 10.34 H new ATOM 0 HB3 CYS A 37 -3.786 -14.280 6.243 1.00 10.34 H new ATOM 632 N LYS A 38 -2.157 -10.257 6.637 1.00 62.02 N ATOM 633 CA LYS A 38 -2.043 -8.992 7.353 1.00 25.51 C ATOM 634 C LYS A 38 -3.306 -8.709 8.160 1.00 4.43 C ATOM 635 O LYS A 38 -4.395 -9.157 7.805 1.00 63.51 O ATOM 636 CB LYS A 38 -1.785 -7.848 6.371 1.00 23.22 C ATOM 637 CG LYS A 38 -0.310 -7.569 6.137 1.00 53.43 C ATOM 638 CD LYS A 38 0.441 -8.830 5.749 1.00 45.23 C ATOM 639 CE LYS A 38 0.955 -9.572 6.973 1.00 64.01 C ATOM 640 NZ LYS A 38 2.216 -10.311 6.686 1.00 73.23 N ATOM 0 H LYS A 38 -2.139 -10.169 5.621 1.00 62.02 H new ATOM 0 HA LYS A 38 -1.202 -9.067 8.042 1.00 25.51 H new ATOM 0 HB2 LYS A 38 -2.257 -8.085 5.418 1.00 23.22 H new ATOM 0 HB3 LYS A 38 -2.262 -6.943 6.747 1.00 23.22 H new ATOM 0 HG2 LYS A 38 -0.200 -6.823 5.350 1.00 53.43 H new ATOM 0 HG3 LYS A 38 0.129 -7.146 7.041 1.00 53.43 H new ATOM 0 HD2 LYS A 38 -0.216 -9.484 5.175 1.00 45.23 H new ATOM 0 HD3 LYS A 38 1.278 -8.571 5.101 1.00 45.23 H new ATOM 0 HE2 LYS A 38 1.126 -8.862 7.782 1.00 64.01 H new ATOM 0 HE3 LYS A 38 0.195 -10.272 7.319 1.00 64.01 H new ATOM 0 HZ1 LYS A 38 2.207 -11.221 7.189 1.00 73.23 H new ATOM 0 HZ2 LYS A 38 2.293 -10.482 5.663 1.00 73.23 H new ATOM 0 HZ3 LYS A 38 3.029 -9.747 7.005 1.00 73.23 H new ATOM 654 N ASN A 39 -3.151 -7.959 9.247 1.00 33.44 N ATOM 655 CA ASN A 39 -4.281 -7.615 10.105 1.00 50.14 C ATOM 656 C ASN A 39 -5.052 -6.428 9.536 1.00 11.35 C ATOM 657 O ASN A 39 -6.121 -6.075 10.034 1.00 22.03 O ATOM 658 CB ASN A 39 -3.794 -7.292 11.519 1.00 72.24 C ATOM 659 CG ASN A 39 -2.546 -8.069 11.892 1.00 74.15 C ATOM 660 OD1 ASN A 39 -1.427 -7.639 11.611 1.00 13.01 O ATOM 661 ND2 ASN A 39 -2.733 -9.219 12.529 1.00 73.04 N ATOM 0 H ASN A 39 -2.256 -7.578 9.554 1.00 33.44 H new ATOM 0 HA ASN A 39 -4.950 -8.474 10.147 1.00 50.14 H new ATOM 0 HB2 ASN A 39 -3.590 -6.224 11.595 1.00 72.24 H new ATOM 0 HB3 ASN A 39 -4.586 -7.517 12.233 1.00 72.24 H new ATOM 0 HD21 ASN A 39 -1.931 -9.785 12.806 1.00 73.04 H new ATOM 0 HD22 ASN A 39 -3.679 -9.536 12.741 1.00 73.04 H new ATOM 668 N GLN A 40 -4.502 -5.816 8.492 1.00 23.02 N ATOM 669 CA GLN A 40 -5.139 -4.668 7.857 1.00 5.24 C ATOM 670 C GLN A 40 -4.360 -4.229 6.621 1.00 13.34 C ATOM 671 O GLN A 40 -3.134 -4.314 6.585 1.00 31.14 O ATOM 672 CB GLN A 40 -5.246 -3.506 8.846 1.00 34.13 C ATOM 673 CG GLN A 40 -6.547 -2.727 8.731 1.00 31.42 C ATOM 674 CD GLN A 40 -6.390 -1.269 9.112 1.00 1.50 C ATOM 675 OE1 GLN A 40 -5.685 -0.937 10.066 1.00 2.20 O ATOM 676 NE2 GLN A 40 -7.047 -0.387 8.367 1.00 21.22 N ATOM 0 H GLN A 40 -3.617 -6.096 8.068 1.00 23.02 H new ATOM 0 HA GLN A 40 -6.141 -4.965 7.547 1.00 5.24 H new ATOM 0 HB2 GLN A 40 -5.153 -3.893 9.861 1.00 34.13 H new ATOM 0 HB3 GLN A 40 -4.409 -2.826 8.686 1.00 34.13 H new ATOM 0 HG2 GLN A 40 -6.916 -2.793 7.708 1.00 31.42 H new ATOM 0 HG3 GLN A 40 -7.299 -3.187 9.372 1.00 31.42 H new ATOM 0 HE21 GLN A 40 -7.620 -0.706 7.586 1.00 21.22 H new ATOM 0 HE22 GLN A 40 -6.978 0.609 8.576 1.00 21.22 H new ATOM 685 N ASN A 41 -5.083 -3.759 5.610 1.00 71.32 N ATOM 686 CA ASN A 41 -4.460 -3.306 4.371 1.00 24.34 C ATOM 687 C ASN A 41 -5.057 -1.980 3.914 1.00 13.35 C ATOM 688 O ASN A 41 -6.068 -1.523 4.450 1.00 1.34 O ATOM 689 CB ASN A 41 -4.632 -4.360 3.275 1.00 1.02 C ATOM 690 CG ASN A 41 -3.779 -4.070 2.055 1.00 62.32 C ATOM 691 OD1 ASN A 41 -2.706 -4.648 1.883 1.00 73.34 O ATOM 692 ND2 ASN A 41 -4.254 -3.171 1.202 1.00 14.41 N ATOM 0 H ASN A 41 -6.100 -3.682 5.624 1.00 71.32 H new ATOM 0 HA ASN A 41 -3.397 -3.158 4.561 1.00 24.34 H new ATOM 0 HB2 ASN A 41 -4.370 -5.340 3.673 1.00 1.02 H new ATOM 0 HB3 ASN A 41 -5.680 -4.405 2.980 1.00 1.02 H new ATOM 0 HD21 ASN A 41 -3.724 -2.934 0.363 1.00 14.41 H new ATOM 0 HD22 ASN A 41 -5.149 -2.717 1.385 1.00 14.41 H new ATOM 699 N THR A 42 -4.427 -1.363 2.920 1.00 60.25 N ATOM 700 CA THR A 42 -4.895 -0.089 2.390 1.00 4.53 C ATOM 701 C THR A 42 -4.763 -0.042 0.872 1.00 33.22 C ATOM 702 O THR A 42 -3.657 0.017 0.336 1.00 41.21 O ATOM 703 CB THR A 42 -4.115 1.092 2.998 1.00 13.43 C ATOM 704 OG1 THR A 42 -4.641 1.413 4.290 1.00 2.04 O ATOM 705 CG2 THR A 42 -4.193 2.315 2.096 1.00 21.23 C ATOM 0 H THR A 42 -3.589 -1.726 2.465 1.00 60.25 H new ATOM 0 HA THR A 42 -5.947 -0.001 2.663 1.00 4.53 H new ATOM 0 HB THR A 42 -3.070 0.797 3.094 1.00 13.43 H new ATOM 0 HG1 THR A 42 -5.152 0.651 4.634 1.00 2.04 H new ATOM 0 HG21 THR A 42 -3.635 3.136 2.547 1.00 21.23 H new ATOM 0 HG22 THR A 42 -3.765 2.077 1.122 1.00 21.23 H new ATOM 0 HG23 THR A 42 -5.235 2.610 1.972 1.00 21.23 H new ATOM 713 N PHE A 43 -5.900 -0.068 0.183 1.00 2.31 N ATOM 714 CA PHE A 43 -5.911 -0.029 -1.275 1.00 2.55 C ATOM 715 C PHE A 43 -6.402 1.325 -1.778 1.00 33.22 C ATOM 716 O PHE A 43 -7.593 1.632 -1.705 1.00 71.13 O ATOM 717 CB PHE A 43 -6.799 -1.145 -1.828 1.00 30.51 C ATOM 718 CG PHE A 43 -6.428 -2.511 -1.326 1.00 34.30 C ATOM 719 CD1 PHE A 43 -6.846 -2.941 -0.076 1.00 54.33 C ATOM 720 CD2 PHE A 43 -5.664 -3.366 -2.102 1.00 64.23 C ATOM 721 CE1 PHE A 43 -6.506 -4.197 0.389 1.00 51.12 C ATOM 722 CE2 PHE A 43 -5.320 -4.624 -1.643 1.00 52.32 C ATOM 723 CZ PHE A 43 -5.743 -5.040 -0.396 1.00 71.34 C ATOM 0 H PHE A 43 -6.825 -0.116 0.611 1.00 2.31 H new ATOM 0 HA PHE A 43 -4.890 -0.179 -1.627 1.00 2.55 H new ATOM 0 HB2 PHE A 43 -7.836 -0.938 -1.563 1.00 30.51 H new ATOM 0 HB3 PHE A 43 -6.741 -1.139 -2.916 1.00 30.51 H new ATOM 0 HD1 PHE A 43 -7.444 -2.287 0.541 1.00 54.33 H new ATOM 0 HD2 PHE A 43 -5.332 -3.046 -3.079 1.00 64.23 H new ATOM 0 HE1 PHE A 43 -6.836 -4.520 1.365 1.00 51.12 H new ATOM 0 HE2 PHE A 43 -4.722 -5.280 -2.258 1.00 52.32 H new ATOM 0 HZ PHE A 43 -5.478 -6.023 -0.035 1.00 71.34 H new ATOM 733 N LEU A 44 -5.478 2.130 -2.288 1.00 13.10 N ATOM 734 CA LEU A 44 -5.816 3.452 -2.804 1.00 52.23 C ATOM 735 C LEU A 44 -5.997 3.416 -4.319 1.00 0.11 C ATOM 736 O LEU A 44 -5.079 3.054 -5.054 1.00 73.23 O ATOM 737 CB LEU A 44 -4.726 4.460 -2.434 1.00 3.41 C ATOM 738 CG LEU A 44 -3.322 3.888 -2.236 1.00 22.32 C ATOM 739 CD1 LEU A 44 -2.269 4.953 -2.496 1.00 54.24 C ATOM 740 CD2 LEU A 44 -3.171 3.318 -0.833 1.00 2.14 C ATOM 0 H LEU A 44 -4.489 1.891 -2.356 1.00 13.10 H new ATOM 0 HA LEU A 44 -6.758 3.761 -2.351 1.00 52.23 H new ATOM 0 HB2 LEU A 44 -4.681 5.219 -3.215 1.00 3.41 H new ATOM 0 HB3 LEU A 44 -5.023 4.966 -1.515 1.00 3.41 H new ATOM 0 HG LEU A 44 -3.176 3.080 -2.953 1.00 22.32 H new ATOM 0 HD11 LEU A 44 -1.277 4.527 -2.350 1.00 54.24 H new ATOM 0 HD12 LEU A 44 -2.362 5.314 -3.520 1.00 54.24 H new ATOM 0 HD13 LEU A 44 -2.413 5.783 -1.804 1.00 54.24 H new ATOM 0 HD21 LEU A 44 -2.166 2.915 -0.710 1.00 2.14 H new ATOM 0 HD22 LEU A 44 -3.338 4.107 -0.100 1.00 2.14 H new ATOM 0 HD23 LEU A 44 -3.901 2.523 -0.683 1.00 2.14 H new ATOM 752 N ARG A 45 -7.185 3.796 -4.776 1.00 64.51 N ATOM 753 CA ARG A 45 -7.487 3.807 -6.203 1.00 42.42 C ATOM 754 C ARG A 45 -6.634 4.844 -6.930 1.00 20.44 C ATOM 755 O ARG A 45 -7.107 5.932 -7.261 1.00 22.55 O ATOM 756 CB ARG A 45 -8.970 4.101 -6.430 1.00 43.32 C ATOM 757 CG ARG A 45 -9.898 3.190 -5.645 1.00 75.20 C ATOM 758 CD ARG A 45 -11.359 3.527 -5.903 1.00 63.44 C ATOM 759 NE ARG A 45 -11.633 3.726 -7.324 1.00 64.20 N ATOM 760 CZ ARG A 45 -12.751 4.269 -7.788 1.00 54.21 C ATOM 761 NH1 ARG A 45 -13.697 4.668 -6.947 1.00 60.44 N ATOM 762 NH2 ARG A 45 -12.927 4.418 -9.095 1.00 33.21 N ATOM 0 H ARG A 45 -7.954 4.100 -4.180 1.00 64.51 H new ATOM 0 HA ARG A 45 -7.254 2.822 -6.606 1.00 42.42 H new ATOM 0 HB2 ARG A 45 -9.173 5.136 -6.155 1.00 43.32 H new ATOM 0 HB3 ARG A 45 -9.193 4.004 -7.493 1.00 43.32 H new ATOM 0 HG2 ARG A 45 -9.709 2.152 -5.920 1.00 75.20 H new ATOM 0 HG3 ARG A 45 -9.685 3.282 -4.580 1.00 75.20 H new ATOM 0 HD2 ARG A 45 -11.989 2.723 -5.522 1.00 63.44 H new ATOM 0 HD3 ARG A 45 -11.625 4.429 -5.353 1.00 63.44 H new ATOM 0 HE ARG A 45 -10.925 3.431 -7.997 1.00 64.20 H new ATOM 0 HH11 ARG A 45 -13.565 4.557 -5.942 1.00 60.44 H new ATOM 0 HH12 ARG A 45 -14.556 5.085 -7.306 1.00 60.44 H new ATOM 0 HH21 ARG A 45 -12.202 4.115 -9.745 1.00 33.21 H new ATOM 0 HH22 ARG A 45 -13.787 4.836 -9.449 1.00 33.21 H new ATOM 776 N THR A 46 -5.373 4.499 -7.175 1.00 32.41 N ATOM 777 CA THR A 46 -4.455 5.399 -7.861 1.00 45.32 C ATOM 778 C THR A 46 -3.363 4.622 -8.587 1.00 62.42 C ATOM 779 O THR A 46 -3.103 3.458 -8.277 1.00 72.43 O ATOM 780 CB THR A 46 -3.799 6.387 -6.879 1.00 4.21 C ATOM 781 OG1 THR A 46 -2.775 7.135 -7.545 1.00 62.51 O ATOM 782 CG2 THR A 46 -3.202 5.652 -5.688 1.00 31.54 C ATOM 0 H THR A 46 -4.965 3.603 -6.908 1.00 32.41 H new ATOM 0 HA THR A 46 -5.044 5.958 -8.588 1.00 45.32 H new ATOM 0 HB THR A 46 -4.569 7.068 -6.517 1.00 4.21 H new ATOM 0 HG1 THR A 46 -1.899 6.752 -7.331 1.00 62.51 H new ATOM 0 HG21 THR A 46 -2.744 6.371 -5.009 1.00 31.54 H new ATOM 0 HG22 THR A 46 -3.988 5.108 -5.165 1.00 31.54 H new ATOM 0 HG23 THR A 46 -2.445 4.949 -6.036 1.00 31.54 H new ATOM 790 N THR A 47 -2.725 5.271 -9.555 1.00 61.51 N ATOM 791 CA THR A 47 -1.661 4.640 -10.326 1.00 61.45 C ATOM 792 C THR A 47 -0.316 4.773 -9.619 1.00 52.44 C ATOM 793 O THR A 47 -0.133 5.648 -8.772 1.00 33.23 O ATOM 794 CB THR A 47 -1.550 5.252 -11.736 1.00 64.00 C ATOM 795 OG1 THR A 47 -2.832 5.720 -12.169 1.00 3.10 O ATOM 796 CG2 THR A 47 -1.015 4.230 -12.728 1.00 41.32 C ATOM 0 H THR A 47 -2.927 6.234 -9.824 1.00 61.51 H new ATOM 0 HA THR A 47 -1.919 3.585 -10.415 1.00 61.45 H new ATOM 0 HB THR A 47 -0.854 6.090 -11.691 1.00 64.00 H new ATOM 0 HG1 THR A 47 -2.753 6.109 -13.065 1.00 3.10 H new ATOM 0 HG21 THR A 47 -0.945 4.684 -13.716 1.00 41.32 H new ATOM 0 HG22 THR A 47 -0.027 3.898 -12.411 1.00 41.32 H new ATOM 0 HG23 THR A 47 -1.689 3.375 -12.769 1.00 41.32 H new ATOM 804 N PHE A 48 0.622 3.902 -9.973 1.00 73.51 N ATOM 805 CA PHE A 48 1.950 3.922 -9.372 1.00 52.32 C ATOM 806 C PHE A 48 2.651 5.250 -9.646 1.00 12.33 C ATOM 807 O PHE A 48 3.497 5.690 -8.868 1.00 33.43 O ATOM 808 CB PHE A 48 2.795 2.766 -9.912 1.00 11.43 C ATOM 809 CG PHE A 48 3.856 2.302 -8.955 1.00 23.22 C ATOM 810 CD1 PHE A 48 3.516 1.837 -7.694 1.00 51.44 C ATOM 811 CD2 PHE A 48 5.193 2.329 -9.316 1.00 21.12 C ATOM 812 CE1 PHE A 48 4.490 1.411 -6.812 1.00 25.24 C ATOM 813 CE2 PHE A 48 6.172 1.903 -8.438 1.00 25.01 C ATOM 814 CZ PHE A 48 5.820 1.442 -7.184 1.00 75.24 C ATOM 0 H PHE A 48 0.487 3.173 -10.673 1.00 73.51 H new ATOM 0 HA PHE A 48 1.835 3.807 -8.294 1.00 52.32 H new ATOM 0 HB2 PHE A 48 2.140 1.928 -10.150 1.00 11.43 H new ATOM 0 HB3 PHE A 48 3.268 3.076 -10.844 1.00 11.43 H new ATOM 0 HD1 PHE A 48 2.478 1.807 -7.398 1.00 51.44 H new ATOM 0 HD2 PHE A 48 5.474 2.687 -10.295 1.00 21.12 H new ATOM 0 HE1 PHE A 48 4.212 1.054 -5.832 1.00 25.24 H new ATOM 0 HE2 PHE A 48 7.211 1.930 -8.732 1.00 25.01 H new ATOM 0 HZ PHE A 48 6.583 1.107 -6.497 1.00 75.24 H new ATOM 824 N ALA A 49 2.292 5.882 -10.758 1.00 43.50 N ATOM 825 CA ALA A 49 2.884 7.160 -11.134 1.00 43.01 C ATOM 826 C ALA A 49 2.451 8.268 -10.180 1.00 44.11 C ATOM 827 O ALA A 49 3.278 9.037 -9.691 1.00 64.11 O ATOM 828 CB ALA A 49 2.508 7.515 -12.565 1.00 13.21 C ATOM 0 H ALA A 49 1.595 5.530 -11.414 1.00 43.50 H new ATOM 0 HA ALA A 49 3.968 7.064 -11.068 1.00 43.01 H new ATOM 0 HB1 ALA A 49 2.957 8.472 -12.832 1.00 13.21 H new ATOM 0 HB2 ALA A 49 2.874 6.741 -13.240 1.00 13.21 H new ATOM 0 HB3 ALA A 49 1.424 7.587 -12.649 1.00 13.21 H new ATOM 834 N ASN A 50 1.151 8.345 -9.921 1.00 74.32 N ATOM 835 CA ASN A 50 0.608 9.360 -9.027 1.00 13.55 C ATOM 836 C ASN A 50 1.180 9.208 -7.620 1.00 70.04 C ATOM 837 O ASN A 50 1.310 10.185 -6.882 1.00 50.13 O ATOM 838 CB ASN A 50 -0.919 9.266 -8.980 1.00 62.11 C ATOM 839 CG ASN A 50 -1.559 9.596 -10.315 1.00 11.33 C ATOM 840 OD1 ASN A 50 -1.576 10.751 -10.738 1.00 54.34 O ATOM 841 ND2 ASN A 50 -2.089 8.579 -10.984 1.00 31.35 N ATOM 0 H ASN A 50 0.453 7.716 -10.318 1.00 74.32 H new ATOM 0 HA ASN A 50 0.894 10.338 -9.414 1.00 13.55 H new ATOM 0 HB2 ASN A 50 -1.209 8.259 -8.680 1.00 62.11 H new ATOM 0 HB3 ASN A 50 -1.299 9.948 -8.219 1.00 62.11 H new ATOM 0 HD21 ASN A 50 -2.534 8.739 -11.888 1.00 31.35 H new ATOM 0 HD22 ASN A 50 -2.052 7.637 -10.594 1.00 31.35 H new ATOM 848 N VAL A 51 1.523 7.977 -7.256 1.00 30.12 N ATOM 849 CA VAL A 51 2.083 7.696 -5.939 1.00 41.23 C ATOM 850 C VAL A 51 3.568 8.038 -5.891 1.00 24.23 C ATOM 851 O VAL A 51 4.031 8.714 -4.973 1.00 52.03 O ATOM 852 CB VAL A 51 1.894 6.218 -5.553 1.00 21.15 C ATOM 853 CG1 VAL A 51 2.885 5.818 -4.470 1.00 22.41 C ATOM 854 CG2 VAL A 51 0.464 5.965 -5.097 1.00 45.32 C ATOM 0 H VAL A 51 1.423 7.157 -7.855 1.00 30.12 H new ATOM 0 HA VAL A 51 1.546 8.321 -5.225 1.00 41.23 H new ATOM 0 HB VAL A 51 2.085 5.604 -6.433 1.00 21.15 H new ATOM 0 HG11 VAL A 51 2.736 4.770 -4.210 1.00 22.41 H new ATOM 0 HG12 VAL A 51 3.902 5.960 -4.837 1.00 22.41 H new ATOM 0 HG13 VAL A 51 2.728 6.437 -3.587 1.00 22.41 H new ATOM 0 HG21 VAL A 51 0.348 4.915 -4.828 1.00 45.32 H new ATOM 0 HG22 VAL A 51 0.243 6.588 -4.230 1.00 45.32 H new ATOM 0 HG23 VAL A 51 -0.225 6.210 -5.906 1.00 45.32 H new ATOM 864 N VAL A 52 4.311 7.563 -6.886 1.00 41.51 N ATOM 865 CA VAL A 52 5.745 7.819 -6.958 1.00 41.23 C ATOM 866 C VAL A 52 6.032 9.312 -7.072 1.00 41.44 C ATOM 867 O VAL A 52 7.069 9.791 -6.616 1.00 53.25 O ATOM 868 CB VAL A 52 6.386 7.092 -8.155 1.00 33.31 C ATOM 869 CG1 VAL A 52 7.880 7.369 -8.212 1.00 23.23 C ATOM 870 CG2 VAL A 52 6.115 5.596 -8.076 1.00 42.41 C ATOM 0 H VAL A 52 3.944 6.999 -7.653 1.00 41.51 H new ATOM 0 HA VAL A 52 6.181 7.437 -6.035 1.00 41.23 H new ATOM 0 HB VAL A 52 5.936 7.473 -9.072 1.00 33.31 H new ATOM 0 HG11 VAL A 52 8.315 6.847 -9.064 1.00 23.23 H new ATOM 0 HG12 VAL A 52 8.048 8.441 -8.319 1.00 23.23 H new ATOM 0 HG13 VAL A 52 8.350 7.018 -7.293 1.00 23.23 H new ATOM 0 HG21 VAL A 52 6.575 5.097 -8.929 1.00 42.41 H new ATOM 0 HG22 VAL A 52 6.536 5.198 -7.153 1.00 42.41 H new ATOM 0 HG23 VAL A 52 5.039 5.420 -8.089 1.00 42.41 H new ATOM 880 N ASN A 53 5.105 10.042 -7.684 1.00 3.22 N ATOM 881 CA ASN A 53 5.258 11.482 -7.858 1.00 44.44 C ATOM 882 C ASN A 53 5.101 12.211 -6.527 1.00 43.14 C ATOM 883 O ASN A 53 5.623 13.311 -6.344 1.00 55.32 O ATOM 884 CB ASN A 53 4.232 12.007 -8.864 1.00 11.02 C ATOM 885 CG ASN A 53 3.881 13.463 -8.626 1.00 64.23 C ATOM 886 OD1 ASN A 53 4.377 14.353 -9.317 1.00 40.54 O ATOM 887 ND2 ASN A 53 3.023 13.712 -7.644 1.00 22.54 N ATOM 0 H ASN A 53 4.240 9.660 -8.068 1.00 3.22 H new ATOM 0 HA ASN A 53 6.261 11.672 -8.240 1.00 44.44 H new ATOM 0 HB2 ASN A 53 4.626 11.891 -9.874 1.00 11.02 H new ATOM 0 HB3 ASN A 53 3.326 11.403 -8.804 1.00 11.02 H new ATOM 0 HD21 ASN A 53 2.750 14.673 -7.437 1.00 22.54 H new ATOM 0 HD22 ASN A 53 2.637 12.943 -7.097 1.00 22.54 H new ATOM 894 N VAL A 54 4.380 11.589 -5.600 1.00 34.10 N ATOM 895 CA VAL A 54 4.156 12.177 -4.285 1.00 21.12 C ATOM 896 C VAL A 54 5.448 12.230 -3.478 1.00 42.34 C ATOM 897 O VAL A 54 5.677 13.165 -2.711 1.00 15.33 O ATOM 898 CB VAL A 54 3.100 11.388 -3.489 1.00 71.41 C ATOM 899 CG1 VAL A 54 3.204 11.701 -2.005 1.00 31.42 C ATOM 900 CG2 VAL A 54 1.703 11.693 -4.010 1.00 22.22 C ATOM 0 H VAL A 54 3.941 10.678 -5.735 1.00 34.10 H new ATOM 0 HA VAL A 54 3.793 13.191 -4.451 1.00 21.12 H new ATOM 0 HB VAL A 54 3.290 10.323 -3.625 1.00 71.41 H new ATOM 0 HG11 VAL A 54 2.450 11.134 -1.460 1.00 31.42 H new ATOM 0 HG12 VAL A 54 4.195 11.427 -1.644 1.00 31.42 H new ATOM 0 HG13 VAL A 54 3.042 12.767 -1.846 1.00 31.42 H new ATOM 0 HG21 VAL A 54 0.969 11.127 -3.436 1.00 22.22 H new ATOM 0 HG22 VAL A 54 1.501 12.759 -3.906 1.00 22.22 H new ATOM 0 HG23 VAL A 54 1.637 11.412 -5.061 1.00 22.22 H new ATOM 910 N CYS A 55 6.293 11.220 -3.659 1.00 10.33 N ATOM 911 CA CYS A 55 7.564 11.150 -2.948 1.00 31.44 C ATOM 912 C CYS A 55 8.475 12.307 -3.347 1.00 52.31 C ATOM 913 O CYS A 55 9.422 12.640 -2.636 1.00 22.33 O ATOM 914 CB CYS A 55 8.260 9.818 -3.235 1.00 20.33 C ATOM 915 SG CYS A 55 7.153 8.372 -3.168 1.00 22.52 S ATOM 0 H CYS A 55 6.120 10.439 -4.292 1.00 10.33 H new ATOM 0 HA CYS A 55 7.358 11.223 -1.880 1.00 31.44 H new ATOM 0 HB2 CYS A 55 8.719 9.865 -4.222 1.00 20.33 H new ATOM 0 HB3 CYS A 55 9.066 9.679 -2.515 1.00 20.33 H new ATOM 920 N GLY A 56 8.179 12.918 -4.491 1.00 41.54 N ATOM 921 CA GLY A 56 8.981 14.032 -4.965 1.00 32.43 C ATOM 922 C GLY A 56 8.621 15.337 -4.283 1.00 2.15 C ATOM 923 O GLY A 56 9.197 16.381 -4.583 1.00 53.12 O ATOM 0 H GLY A 56 7.400 12.662 -5.097 1.00 41.54 H new ATOM 0 HA2 GLY A 56 10.035 13.815 -4.794 1.00 32.43 H new ATOM 0 HA3 GLY A 56 8.848 14.139 -6.042 1.00 32.43 H new ATOM 927 N ASN A 57 7.664 15.277 -3.362 1.00 33.13 N ATOM 928 CA ASN A 57 7.226 16.464 -2.636 1.00 1.00 C ATOM 929 C ASN A 57 7.877 16.529 -1.257 1.00 55.45 C ATOM 930 O ASN A 57 8.433 15.543 -0.776 1.00 74.50 O ATOM 931 CB ASN A 57 5.703 16.468 -2.495 1.00 32.45 C ATOM 932 CG ASN A 57 5.212 15.436 -1.497 1.00 45.41 C ATOM 933 OD1 ASN A 57 5.997 14.874 -0.733 1.00 72.20 O ATOM 934 ND2 ASN A 57 3.909 15.184 -1.500 1.00 63.30 N ATOM 0 H ASN A 57 7.177 14.419 -3.101 1.00 33.13 H new ATOM 0 HA ASN A 57 7.533 17.342 -3.205 1.00 1.00 H new ATOM 0 HB2 ASN A 57 5.372 17.458 -2.182 1.00 32.45 H new ATOM 0 HB3 ASN A 57 5.250 16.273 -3.467 1.00 32.45 H new ATOM 0 HD21 ASN A 57 3.520 14.500 -0.851 1.00 63.30 H new ATOM 0 HD22 ASN A 57 3.296 15.674 -2.152 1.00 63.30 H new ATOM 941 N GLN A 58 7.803 17.698 -0.629 1.00 31.03 N ATOM 942 CA GLN A 58 8.384 17.892 0.693 1.00 3.05 C ATOM 943 C GLN A 58 8.016 16.740 1.624 1.00 13.31 C ATOM 944 O GLN A 58 6.871 16.623 2.060 1.00 4.11 O ATOM 945 CB GLN A 58 7.911 19.217 1.293 1.00 5.32 C ATOM 946 CG GLN A 58 8.524 19.524 2.650 1.00 3.22 C ATOM 947 CD GLN A 58 10.037 19.602 2.604 1.00 31.45 C ATOM 948 OE1 GLN A 58 10.610 20.674 2.412 1.00 12.25 O ATOM 949 NE2 GLN A 58 10.694 18.461 2.781 1.00 63.33 N ATOM 0 H GLN A 58 7.346 18.525 -1.015 1.00 31.03 H new ATOM 0 HA GLN A 58 9.468 17.917 0.585 1.00 3.05 H new ATOM 0 HB2 GLN A 58 8.153 20.026 0.603 1.00 5.32 H new ATOM 0 HB3 GLN A 58 6.826 19.195 1.391 1.00 5.32 H new ATOM 0 HG2 GLN A 58 8.127 20.470 3.018 1.00 3.22 H new ATOM 0 HG3 GLN A 58 8.225 18.754 3.362 1.00 3.22 H new ATOM 0 HE21 GLN A 58 10.179 17.595 2.937 1.00 63.33 H new ATOM 0 HE22 GLN A 58 11.714 18.451 2.761 1.00 63.33 H new ATOM 958 N SER A 59 8.994 15.892 1.923 1.00 3.32 N ATOM 959 CA SER A 59 8.773 14.747 2.798 1.00 23.44 C ATOM 960 C SER A 59 8.477 15.202 4.225 1.00 70.41 C ATOM 961 O SER A 59 8.753 16.345 4.592 1.00 32.43 O ATOM 962 CB SER A 59 9.995 13.825 2.788 1.00 14.42 C ATOM 963 OG SER A 59 11.193 14.566 2.943 1.00 40.02 O ATOM 0 H SER A 59 9.948 15.976 1.572 1.00 3.32 H new ATOM 0 HA SER A 59 7.909 14.197 2.423 1.00 23.44 H new ATOM 0 HB2 SER A 59 9.909 13.094 3.592 1.00 14.42 H new ATOM 0 HB3 SER A 59 10.027 13.268 1.852 1.00 14.42 H new ATOM 0 HG SER A 59 11.959 13.955 2.935 1.00 40.02 H new ATOM 969 N ILE A 60 7.915 14.301 5.022 1.00 64.11 N ATOM 970 CA ILE A 60 7.584 14.608 6.407 1.00 14.15 C ATOM 971 C ILE A 60 7.847 13.412 7.315 1.00 31.24 C ATOM 972 O ILE A 60 7.949 12.277 6.849 1.00 44.12 O ATOM 973 CB ILE A 60 6.109 15.033 6.552 1.00 44.50 C ATOM 974 CG1 ILE A 60 5.203 14.081 5.770 1.00 51.33 C ATOM 975 CG2 ILE A 60 5.922 16.465 6.074 1.00 63.15 C ATOM 976 CD1 ILE A 60 3.728 14.361 5.957 1.00 54.21 C ATOM 0 H ILE A 60 7.679 13.352 4.732 1.00 64.11 H new ATOM 0 HA ILE A 60 8.225 15.437 6.708 1.00 14.15 H new ATOM 0 HB ILE A 60 5.833 14.984 7.605 1.00 44.50 H new ATOM 0 HG12 ILE A 60 5.446 14.150 4.710 1.00 51.33 H new ATOM 0 HG13 ILE A 60 5.412 13.057 6.079 1.00 51.33 H new ATOM 0 HG21 ILE A 60 4.876 16.751 6.182 1.00 63.15 H new ATOM 0 HG22 ILE A 60 6.544 17.132 6.671 1.00 63.15 H new ATOM 0 HG23 ILE A 60 6.212 16.539 5.026 1.00 63.15 H new ATOM 0 HD11 ILE A 60 3.145 13.648 5.374 1.00 54.21 H new ATOM 0 HD12 ILE A 60 3.470 14.264 7.012 1.00 54.21 H new ATOM 0 HD13 ILE A 60 3.504 15.373 5.621 1.00 54.21 H new ATOM 988 N ARG A 61 7.954 13.673 8.614 1.00 14.00 N ATOM 989 CA ARG A 61 8.205 12.617 9.587 1.00 24.32 C ATOM 990 C ARG A 61 6.947 11.788 9.827 1.00 54.12 C ATOM 991 O ARG A 61 5.933 12.302 10.300 1.00 12.24 O ATOM 992 CB ARG A 61 8.693 13.216 10.907 1.00 13.40 C ATOM 993 CG ARG A 61 7.721 14.212 11.521 1.00 63.23 C ATOM 994 CD ARG A 61 8.296 14.851 12.775 1.00 34.52 C ATOM 995 NE ARG A 61 7.296 15.636 13.495 1.00 24.13 N ATOM 996 CZ ARG A 61 7.466 16.080 14.736 1.00 41.51 C ATOM 997 NH1 ARG A 61 8.589 15.819 15.389 1.00 3.14 N ATOM 998 NH2 ARG A 61 6.512 16.790 15.324 1.00 34.44 N ATOM 0 H ARG A 61 7.871 14.607 9.017 1.00 14.00 H new ATOM 0 HA ARG A 61 8.979 11.963 9.184 1.00 24.32 H new ATOM 0 HB2 ARG A 61 8.871 12.409 11.618 1.00 13.40 H new ATOM 0 HB3 ARG A 61 9.650 13.711 10.740 1.00 13.40 H new ATOM 0 HG2 ARG A 61 7.484 14.987 10.792 1.00 63.23 H new ATOM 0 HG3 ARG A 61 6.786 13.707 11.765 1.00 63.23 H new ATOM 0 HD2 ARG A 61 8.688 14.074 13.431 1.00 34.52 H new ATOM 0 HD3 ARG A 61 9.134 15.493 12.504 1.00 34.52 H new ATOM 0 HE ARG A 61 6.420 15.855 13.020 1.00 24.13 H new ATOM 0 HH11 ARG A 61 9.326 15.276 14.939 1.00 3.14 H new ATOM 0 HH12 ARG A 61 8.716 16.161 16.341 1.00 3.14 H new ATOM 0 HH21 ARG A 61 5.647 16.995 14.824 1.00 34.44 H new ATOM 0 HH22 ARG A 61 6.643 17.130 16.277 1.00 34.44 H new ATOM 1012 N CYS A 62 7.019 10.504 9.497 1.00 64.30 N ATOM 1013 CA CYS A 62 5.886 9.602 9.675 1.00 53.30 C ATOM 1014 C CYS A 62 5.528 9.464 11.151 1.00 5.11 C ATOM 1015 O CYS A 62 6.388 9.513 12.032 1.00 72.30 O ATOM 1016 CB CYS A 62 6.205 8.227 9.085 1.00 34.20 C ATOM 1017 SG CYS A 62 5.826 8.074 7.309 1.00 41.11 S ATOM 0 H CYS A 62 7.851 10.063 9.104 1.00 64.30 H new ATOM 0 HA CYS A 62 5.030 10.025 9.150 1.00 53.30 H new ATOM 0 HB2 CYS A 62 7.263 8.014 9.240 1.00 34.20 H new ATOM 0 HB3 CYS A 62 5.644 7.470 9.632 1.00 34.20 H new ATOM 1022 N PRO A 63 4.228 9.289 11.431 1.00 31.42 N ATOM 1023 CA PRO A 63 3.725 9.138 12.800 1.00 2.40 C ATOM 1024 C PRO A 63 4.141 7.813 13.428 1.00 13.04 C ATOM 1025 O PRO A 63 4.293 7.712 14.646 1.00 42.13 O ATOM 1026 CB PRO A 63 2.205 9.196 12.629 1.00 43.43 C ATOM 1027 CG PRO A 63 1.965 8.746 11.229 1.00 22.01 C ATOM 1028 CD PRO A 63 3.148 9.221 10.431 1.00 3.14 C ATOM 0 HA PRO A 63 4.122 9.904 13.466 1.00 2.40 H new ATOM 0 HB2 PRO A 63 1.701 8.547 13.345 1.00 43.43 H new ATOM 0 HB3 PRO A 63 1.826 10.205 12.791 1.00 43.43 H new ATOM 0 HG2 PRO A 63 1.871 7.661 11.179 1.00 22.01 H new ATOM 0 HG3 PRO A 63 1.038 9.165 10.838 1.00 22.01 H new ATOM 0 HD2 PRO A 63 3.391 8.531 9.623 1.00 3.14 H new ATOM 0 HD3 PRO A 63 2.961 10.193 9.975 1.00 3.14 H new ATOM 1036 N HIS A 64 4.324 6.797 12.590 1.00 55.11 N ATOM 1037 CA HIS A 64 4.722 5.477 13.064 1.00 65.25 C ATOM 1038 C HIS A 64 6.130 5.513 13.651 1.00 4.12 C ATOM 1039 O HIS A 64 6.544 4.591 14.352 1.00 1.43 O ATOM 1040 CB HIS A 64 4.659 4.462 11.922 1.00 25.44 C ATOM 1041 CG HIS A 64 3.262 4.096 11.523 1.00 4.22 C ATOM 1042 ND1 HIS A 64 2.973 3.063 10.656 1.00 3.35 N ATOM 1043 CD2 HIS A 64 2.072 4.632 11.878 1.00 73.40 C ATOM 1044 CE1 HIS A 64 1.665 2.980 10.495 1.00 61.12 C ATOM 1045 NE2 HIS A 64 1.094 3.921 11.225 1.00 23.54 N ATOM 0 H HIS A 64 4.203 6.863 11.579 1.00 55.11 H new ATOM 0 HA HIS A 64 4.028 5.174 13.848 1.00 65.25 H new ATOM 0 HB2 HIS A 64 5.181 4.869 11.056 1.00 25.44 H new ATOM 0 HB3 HIS A 64 5.192 3.559 12.220 1.00 25.44 H new ATOM 0 HD2 HIS A 64 1.919 5.464 12.550 1.00 73.40 H new ATOM 0 HE1 HIS A 64 1.150 2.264 9.872 1.00 61.12 H new ATOM 0 HE2 HIS A 64 0.091 4.092 11.293 1.00 23.54 H new ATOM 1054 N ASN A 65 6.861 6.583 13.358 1.00 51.42 N ATOM 1055 CA ASN A 65 8.223 6.739 13.856 1.00 60.02 C ATOM 1056 C ASN A 65 8.515 8.198 14.194 1.00 1.14 C ATOM 1057 O ASN A 65 8.412 9.076 13.340 1.00 51.34 O ATOM 1058 CB ASN A 65 9.228 6.233 12.819 1.00 1.31 C ATOM 1059 CG ASN A 65 8.915 4.827 12.348 1.00 63.31 C ATOM 1060 OD1 ASN A 65 9.265 3.847 13.007 1.00 10.01 O ATOM 1061 ND2 ASN A 65 8.252 4.719 11.203 1.00 52.32 N ATOM 0 H ASN A 65 6.533 7.355 12.778 1.00 51.42 H new ATOM 0 HA ASN A 65 8.321 6.147 14.766 1.00 60.02 H new ATOM 0 HB2 ASN A 65 9.233 6.907 11.963 1.00 1.31 H new ATOM 0 HB3 ASN A 65 10.230 6.255 13.247 1.00 1.31 H new ATOM 0 HD21 ASN A 65 8.013 3.797 10.837 1.00 52.32 H new ATOM 0 HD22 ASN A 65 7.981 5.558 10.689 1.00 52.32 H new ATOM 1068 N ARG A 66 8.881 8.446 15.447 1.00 2.13 N ATOM 1069 CA ARG A 66 9.188 9.798 15.901 1.00 74.23 C ATOM 1070 C ARG A 66 10.647 10.147 15.620 1.00 61.25 C ATOM 1071 O ARG A 66 11.094 11.261 15.894 1.00 33.32 O ATOM 1072 CB ARG A 66 8.898 9.936 17.396 1.00 20.43 C ATOM 1073 CG ARG A 66 7.833 8.975 17.901 1.00 41.12 C ATOM 1074 CD ARG A 66 7.064 9.563 19.073 1.00 52.55 C ATOM 1075 NE ARG A 66 6.201 8.574 19.714 1.00 63.31 N ATOM 1076 CZ ARG A 66 5.456 8.831 20.782 1.00 54.00 C ATOM 1077 NH1 ARG A 66 5.466 10.039 21.327 1.00 2.23 N ATOM 1078 NH2 ARG A 66 4.696 7.878 21.307 1.00 23.42 N ATOM 0 H ARG A 66 8.972 7.729 16.166 1.00 2.13 H new ATOM 0 HA ARG A 66 8.553 10.492 15.350 1.00 74.23 H new ATOM 0 HB2 ARG A 66 9.820 9.769 17.953 1.00 20.43 H new ATOM 0 HB3 ARG A 66 8.581 10.958 17.603 1.00 20.43 H new ATOM 0 HG2 ARG A 66 7.141 8.739 17.092 1.00 41.12 H new ATOM 0 HG3 ARG A 66 8.301 8.038 18.204 1.00 41.12 H new ATOM 0 HD2 ARG A 66 7.767 9.959 19.806 1.00 52.55 H new ATOM 0 HD3 ARG A 66 6.459 10.401 18.726 1.00 52.55 H new ATOM 0 HE ARG A 66 6.169 7.634 19.319 1.00 63.31 H new ATOM 0 HH11 ARG A 66 6.047 10.775 20.926 1.00 2.23 H new ATOM 0 HH12 ARG A 66 4.892 10.233 22.148 1.00 2.23 H new ATOM 0 HH21 ARG A 66 4.684 6.947 20.890 1.00 23.42 H new ATOM 0 HH22 ARG A 66 4.124 8.076 22.128 1.00 23.42 H new ATOM 1092 N THR A 67 11.385 9.187 15.071 1.00 1.21 N ATOM 1093 CA THR A 67 12.793 9.392 14.755 1.00 32.24 C ATOM 1094 C THR A 67 13.125 8.868 13.363 1.00 62.03 C ATOM 1095 O THR A 67 14.218 8.350 13.128 1.00 53.14 O ATOM 1096 CB THR A 67 13.706 8.698 15.784 1.00 41.44 C ATOM 1097 OG1 THR A 67 14.000 7.364 15.356 1.00 4.24 O ATOM 1098 CG2 THR A 67 13.048 8.665 17.155 1.00 64.40 C ATOM 0 H THR A 67 11.031 8.260 14.836 1.00 1.21 H new ATOM 0 HA THR A 67 12.972 10.467 14.788 1.00 32.24 H new ATOM 0 HB THR A 67 14.633 9.267 15.858 1.00 41.44 H new ATOM 0 HG1 THR A 67 14.575 7.394 14.563 1.00 4.24 H new ATOM 0 HG21 THR A 67 13.711 8.170 17.865 1.00 64.40 H new ATOM 0 HG22 THR A 67 12.853 9.684 17.490 1.00 64.40 H new ATOM 0 HG23 THR A 67 12.108 8.117 17.094 1.00 64.40 H new ATOM 1106 N LEU A 68 12.179 9.007 12.442 1.00 34.21 N ATOM 1107 CA LEU A 68 12.371 8.549 11.070 1.00 24.03 C ATOM 1108 C LEU A 68 11.502 9.345 10.102 1.00 64.22 C ATOM 1109 O LEU A 68 10.281 9.197 10.084 1.00 52.30 O ATOM 1110 CB LEU A 68 12.044 7.058 10.959 1.00 2.13 C ATOM 1111 CG LEU A 68 11.696 6.551 9.560 1.00 23.45 C ATOM 1112 CD1 LEU A 68 12.922 6.573 8.662 1.00 45.32 C ATOM 1113 CD2 LEU A 68 11.112 5.147 9.633 1.00 62.32 C ATOM 0 H LEU A 68 11.270 9.434 12.620 1.00 34.21 H new ATOM 0 HA LEU A 68 13.416 8.707 10.804 1.00 24.03 H new ATOM 0 HB2 LEU A 68 12.899 6.490 11.327 1.00 2.13 H new ATOM 0 HB3 LEU A 68 11.207 6.840 11.622 1.00 2.13 H new ATOM 0 HG LEU A 68 10.946 7.215 9.131 1.00 23.45 H new ATOM 0 HD11 LEU A 68 12.653 6.208 7.671 1.00 45.32 H new ATOM 0 HD12 LEU A 68 13.298 7.593 8.584 1.00 45.32 H new ATOM 0 HD13 LEU A 68 13.696 5.933 9.087 1.00 45.32 H new ATOM 0 HD21 LEU A 68 10.870 4.801 8.628 1.00 62.32 H new ATOM 0 HD22 LEU A 68 11.841 4.473 10.083 1.00 62.32 H new ATOM 0 HD23 LEU A 68 10.207 5.161 10.240 1.00 62.32 H new ATOM 1125 N ASN A 69 12.141 10.189 9.298 1.00 24.13 N ATOM 1126 CA ASN A 69 11.426 11.007 8.325 1.00 2.15 C ATOM 1127 C ASN A 69 11.886 10.691 6.905 1.00 23.41 C ATOM 1128 O ASN A 69 12.526 11.513 6.252 1.00 71.05 O ATOM 1129 CB ASN A 69 11.639 12.492 8.624 1.00 43.35 C ATOM 1130 CG ASN A 69 13.071 12.805 9.013 1.00 62.02 C ATOM 1131 OD1 ASN A 69 13.983 12.023 8.745 1.00 63.51 O ATOM 1132 ND2 ASN A 69 13.275 13.952 9.647 1.00 0.52 N ATOM 0 H ASN A 69 13.152 10.324 9.301 1.00 24.13 H new ATOM 0 HA ASN A 69 10.364 10.776 8.403 1.00 2.15 H new ATOM 0 HB2 ASN A 69 11.367 13.079 7.747 1.00 43.35 H new ATOM 0 HB3 ASN A 69 10.972 12.797 9.430 1.00 43.35 H new ATOM 0 HD21 ASN A 69 14.218 14.216 9.933 1.00 0.52 H new ATOM 0 HD22 ASN A 69 12.489 14.570 9.849 1.00 0.52 H new ATOM 1139 N ASN A 70 11.555 9.492 6.434 1.00 14.43 N ATOM 1140 CA ASN A 70 11.933 9.067 5.092 1.00 53.51 C ATOM 1141 C ASN A 70 10.699 8.756 4.252 1.00 34.22 C ATOM 1142 O ASN A 70 10.745 7.921 3.348 1.00 35.52 O ATOM 1143 CB ASN A 70 12.840 7.837 5.162 1.00 51.23 C ATOM 1144 CG ASN A 70 12.055 6.540 5.188 1.00 43.32 C ATOM 1145 OD1 ASN A 70 12.195 5.698 4.301 1.00 24.33 O ATOM 1146 ND2 ASN A 70 11.223 6.374 6.209 1.00 15.00 N ATOM 0 H ASN A 70 11.026 8.798 6.963 1.00 14.43 H new ATOM 0 HA ASN A 70 12.476 9.885 4.618 1.00 53.51 H new ATOM 0 HB2 ASN A 70 13.511 7.835 4.303 1.00 51.23 H new ATOM 0 HB3 ASN A 70 13.463 7.899 6.054 1.00 51.23 H new ATOM 0 HD21 ASN A 70 10.668 5.522 6.281 1.00 15.00 H new ATOM 0 HD22 ASN A 70 11.139 7.099 6.922 1.00 15.00 H new ATOM 1153 N CYS A 71 9.597 9.433 4.556 1.00 54.25 N ATOM 1154 CA CYS A 71 8.349 9.230 3.829 1.00 41.02 C ATOM 1155 C CYS A 71 7.790 10.558 3.326 1.00 12.51 C ATOM 1156 O CYS A 71 8.251 11.628 3.725 1.00 72.04 O ATOM 1157 CB CYS A 71 7.320 8.537 4.725 1.00 51.45 C ATOM 1158 SG CYS A 71 7.179 9.258 6.392 1.00 42.52 S ATOM 0 H CYS A 71 9.543 10.127 5.301 1.00 54.25 H new ATOM 0 HA CYS A 71 8.558 8.595 2.968 1.00 41.02 H new ATOM 0 HB2 CYS A 71 6.345 8.578 4.239 1.00 51.45 H new ATOM 0 HB3 CYS A 71 7.586 7.484 4.818 1.00 51.45 H new ATOM 1163 N HIS A 72 6.794 10.481 2.449 1.00 63.04 N ATOM 1164 CA HIS A 72 6.172 11.676 1.892 1.00 43.00 C ATOM 1165 C HIS A 72 4.660 11.501 1.785 1.00 52.32 C ATOM 1166 O HIS A 72 4.177 10.573 1.137 1.00 14.12 O ATOM 1167 CB HIS A 72 6.759 11.989 0.515 1.00 3.32 C ATOM 1168 CG HIS A 72 8.219 11.674 0.402 1.00 63.02 C ATOM 1169 ND1 HIS A 72 9.136 12.544 -0.150 1.00 55.21 N ATOM 1170 CD2 HIS A 72 8.920 10.578 0.773 1.00 22.54 C ATOM 1171 CE1 HIS A 72 10.337 11.996 -0.113 1.00 11.22 C ATOM 1172 NE2 HIS A 72 10.234 10.802 0.443 1.00 31.31 N ATOM 0 H HIS A 72 6.401 9.603 2.109 1.00 63.04 H new ATOM 0 HA HIS A 72 6.378 12.509 2.564 1.00 43.00 H new ATOM 0 HB2 HIS A 72 6.214 11.423 -0.241 1.00 3.32 H new ATOM 0 HB3 HIS A 72 6.605 13.045 0.295 1.00 3.32 H new ATOM 0 HD1 HIS A 72 8.920 13.467 -0.528 1.00 55.21 H new ATOM 0 HD2 HIS A 72 8.520 9.691 1.242 1.00 22.54 H new ATOM 0 HE1 HIS A 72 11.249 12.447 -0.476 1.00 11.22 H new ATOM 1181 N ARG A 73 3.919 12.399 2.426 1.00 51.34 N ATOM 1182 CA ARG A 73 2.462 12.343 2.404 1.00 15.22 C ATOM 1183 C ARG A 73 1.910 13.034 1.162 1.00 71.23 C ATOM 1184 O ARG A 73 2.256 14.179 0.869 1.00 21.25 O ATOM 1185 CB ARG A 73 1.886 12.996 3.662 1.00 3.02 C ATOM 1186 CG ARG A 73 0.368 12.978 3.718 1.00 71.25 C ATOM 1187 CD ARG A 73 -0.173 14.118 4.567 1.00 63.25 C ATOM 1188 NE ARG A 73 -0.168 15.388 3.845 1.00 20.22 N ATOM 1189 CZ ARG A 73 -0.969 16.405 4.143 1.00 64.33 C ATOM 1190 NH1 ARG A 73 -1.833 16.302 5.142 1.00 4.45 N ATOM 1191 NH2 ARG A 73 -0.905 17.528 3.439 1.00 44.43 N ATOM 0 H ARG A 73 4.303 13.174 2.967 1.00 51.34 H new ATOM 0 HA ARG A 73 2.165 11.295 2.378 1.00 15.22 H new ATOM 0 HB2 ARG A 73 2.279 12.483 4.540 1.00 3.02 H new ATOM 0 HB3 ARG A 73 2.231 14.029 3.715 1.00 3.02 H new ATOM 0 HG2 ARG A 73 -0.035 13.052 2.708 1.00 71.25 H new ATOM 0 HG3 ARG A 73 0.029 12.026 4.127 1.00 71.25 H new ATOM 0 HD2 ARG A 73 -1.190 13.884 4.882 1.00 63.25 H new ATOM 0 HD3 ARG A 73 0.427 14.213 5.472 1.00 63.25 H new ATOM 0 HE ARG A 73 0.486 15.500 3.070 1.00 20.22 H new ATOM 0 HH11 ARG A 73 -1.885 15.440 5.685 1.00 4.45 H new ATOM 0 HH12 ARG A 73 -2.447 17.085 5.368 1.00 4.45 H new ATOM 0 HH21 ARG A 73 -0.241 17.610 2.669 1.00 44.43 H new ATOM 0 HH22 ARG A 73 -1.520 18.309 3.668 1.00 44.43 H new ATOM 1205 N SER A 74 1.049 12.331 0.433 1.00 71.23 N ATOM 1206 CA SER A 74 0.452 12.875 -0.781 1.00 70.31 C ATOM 1207 C SER A 74 -0.220 14.216 -0.503 1.00 4.30 C ATOM 1208 O SER A 74 -0.954 14.363 0.474 1.00 34.21 O ATOM 1209 CB SER A 74 -0.568 11.891 -1.358 1.00 73.55 C ATOM 1210 OG SER A 74 -1.448 11.420 -0.353 1.00 1.34 O ATOM 0 H SER A 74 0.749 11.383 0.662 1.00 71.23 H new ATOM 0 HA SER A 74 1.248 13.031 -1.509 1.00 70.31 H new ATOM 0 HB2 SER A 74 -1.140 12.377 -2.148 1.00 73.55 H new ATOM 0 HB3 SER A 74 -0.048 11.049 -1.814 1.00 73.55 H new ATOM 0 HG SER A 74 -2.183 10.923 -0.769 1.00 1.34 H new ATOM 1216 N ARG A 75 0.038 15.191 -1.368 1.00 44.34 N ATOM 1217 CA ARG A 75 -0.539 16.521 -1.215 1.00 61.42 C ATOM 1218 C ARG A 75 -1.965 16.559 -1.756 1.00 74.44 C ATOM 1219 O ARG A 75 -2.763 17.415 -1.373 1.00 13.12 O ATOM 1220 CB ARG A 75 0.321 17.559 -1.939 1.00 75.41 C ATOM 1221 CG ARG A 75 0.393 17.348 -3.442 1.00 61.25 C ATOM 1222 CD ARG A 75 1.089 18.510 -4.135 1.00 34.25 C ATOM 1223 NE ARG A 75 0.365 19.766 -3.956 1.00 11.41 N ATOM 1224 CZ ARG A 75 0.896 20.960 -4.195 1.00 53.42 C ATOM 1225 NH1 ARG A 75 2.147 21.060 -4.621 1.00 60.23 N ATOM 1226 NH2 ARG A 75 0.173 22.057 -4.008 1.00 2.42 N ATOM 0 H ARG A 75 0.643 15.085 -2.182 1.00 44.34 H new ATOM 0 HA ARG A 75 -0.565 16.759 -0.152 1.00 61.42 H new ATOM 0 HB2 ARG A 75 -0.079 18.553 -1.739 1.00 75.41 H new ATOM 0 HB3 ARG A 75 1.330 17.533 -1.528 1.00 75.41 H new ATOM 0 HG2 ARG A 75 0.928 16.423 -3.655 1.00 61.25 H new ATOM 0 HG3 ARG A 75 -0.614 17.234 -3.843 1.00 61.25 H new ATOM 0 HD2 ARG A 75 2.100 18.615 -3.741 1.00 34.25 H new ATOM 0 HD3 ARG A 75 1.183 18.294 -5.199 1.00 34.25 H new ATOM 0 HE ARG A 75 -0.601 19.724 -3.630 1.00 11.41 H new ATOM 0 HH11 ARG A 75 2.705 20.219 -4.766 1.00 60.23 H new ATOM 0 HH12 ARG A 75 2.552 21.978 -4.804 1.00 60.23 H new ATOM 0 HH21 ARG A 75 -0.790 21.983 -3.681 1.00 2.42 H new ATOM 0 HH22 ARG A 75 0.581 22.974 -4.191 1.00 2.42 H new ATOM 1240 N PHE A 76 -2.280 15.626 -2.649 1.00 64.20 N ATOM 1241 CA PHE A 76 -3.610 15.554 -3.244 1.00 4.41 C ATOM 1242 C PHE A 76 -4.442 14.459 -2.583 1.00 40.42 C ATOM 1243 O PHE A 76 -3.903 13.473 -2.080 1.00 34.52 O ATOM 1244 CB PHE A 76 -3.505 15.294 -4.748 1.00 13.42 C ATOM 1245 CG PHE A 76 -3.422 16.549 -5.569 1.00 23.42 C ATOM 1246 CD1 PHE A 76 -4.561 17.287 -5.847 1.00 10.35 C ATOM 1247 CD2 PHE A 76 -2.206 16.990 -6.062 1.00 44.14 C ATOM 1248 CE1 PHE A 76 -4.488 18.443 -6.602 1.00 32.41 C ATOM 1249 CE2 PHE A 76 -2.126 18.145 -6.818 1.00 22.15 C ATOM 1250 CZ PHE A 76 -3.269 18.872 -7.089 1.00 25.21 C ATOM 0 H PHE A 76 -1.632 14.909 -2.977 1.00 64.20 H new ATOM 0 HA PHE A 76 -4.107 16.511 -3.082 1.00 4.41 H new ATOM 0 HB2 PHE A 76 -2.623 14.683 -4.942 1.00 13.42 H new ATOM 0 HB3 PHE A 76 -4.371 14.715 -5.070 1.00 13.42 H new ATOM 0 HD1 PHE A 76 -5.517 16.956 -5.470 1.00 10.35 H new ATOM 0 HD2 PHE A 76 -1.309 16.425 -5.854 1.00 44.14 H new ATOM 0 HE1 PHE A 76 -5.383 19.010 -6.811 1.00 32.41 H new ATOM 0 HE2 PHE A 76 -1.171 18.478 -7.196 1.00 22.15 H new ATOM 0 HZ PHE A 76 -3.209 19.774 -7.680 1.00 25.21 H new ATOM 1260 N ARG A 77 -5.759 14.641 -2.588 1.00 24.30 N ATOM 1261 CA ARG A 77 -6.666 13.670 -1.988 1.00 74.11 C ATOM 1262 C ARG A 77 -7.190 12.695 -3.038 1.00 72.50 C ATOM 1263 O ARG A 77 -7.325 13.042 -4.212 1.00 2.44 O ATOM 1264 CB ARG A 77 -7.837 14.385 -1.312 1.00 4.41 C ATOM 1265 CG ARG A 77 -7.414 15.316 -0.187 1.00 64.34 C ATOM 1266 CD ARG A 77 -7.164 16.727 -0.696 1.00 70.14 C ATOM 1267 NE ARG A 77 -8.370 17.550 -0.644 1.00 5.23 N ATOM 1268 CZ ARG A 77 -8.979 17.889 0.487 1.00 65.15 C ATOM 1269 NH1 ARG A 77 -8.496 17.480 1.652 1.00 30.31 N ATOM 1270 NH2 ARG A 77 -10.072 18.641 0.453 1.00 41.33 N ATOM 0 H ARG A 77 -6.221 15.451 -3.001 1.00 24.30 H new ATOM 0 HA ARG A 77 -6.111 13.106 -1.238 1.00 74.11 H new ATOM 0 HB2 ARG A 77 -8.383 14.959 -2.061 1.00 4.41 H new ATOM 0 HB3 ARG A 77 -8.527 13.640 -0.916 1.00 4.41 H new ATOM 0 HG2 ARG A 77 -8.188 15.337 0.580 1.00 64.34 H new ATOM 0 HG3 ARG A 77 -6.509 14.932 0.284 1.00 64.34 H new ATOM 0 HD2 ARG A 77 -6.381 17.194 -0.099 1.00 70.14 H new ATOM 0 HD3 ARG A 77 -6.799 16.683 -1.722 1.00 70.14 H new ATOM 0 HE ARG A 77 -8.766 17.882 -1.523 1.00 5.23 H new ATOM 0 HH11 ARG A 77 -7.655 16.904 1.681 1.00 30.31 H new ATOM 0 HH12 ARG A 77 -8.965 17.742 2.519 1.00 30.31 H new ATOM 0 HH21 ARG A 77 -10.445 18.959 -0.442 1.00 41.33 H new ATOM 0 HH22 ARG A 77 -10.539 18.901 1.322 1.00 41.33 H new ATOM 1284 N VAL A 78 -7.484 11.472 -2.608 1.00 61.04 N ATOM 1285 CA VAL A 78 -7.993 10.446 -3.511 1.00 34.31 C ATOM 1286 C VAL A 78 -8.770 9.379 -2.747 1.00 42.31 C ATOM 1287 O VAL A 78 -8.518 9.114 -1.572 1.00 5.21 O ATOM 1288 CB VAL A 78 -6.853 9.772 -4.297 1.00 15.24 C ATOM 1289 CG1 VAL A 78 -5.808 10.799 -4.707 1.00 74.23 C ATOM 1290 CG2 VAL A 78 -6.224 8.660 -3.472 1.00 4.14 C ATOM 0 H VAL A 78 -7.379 11.168 -1.640 1.00 61.04 H new ATOM 0 HA VAL A 78 -8.661 10.946 -4.213 1.00 34.31 H new ATOM 0 HB VAL A 78 -7.269 9.331 -5.203 1.00 15.24 H new ATOM 0 HG11 VAL A 78 -5.010 10.305 -5.261 1.00 74.23 H new ATOM 0 HG12 VAL A 78 -6.271 11.558 -5.337 1.00 74.23 H new ATOM 0 HG13 VAL A 78 -5.393 11.271 -3.817 1.00 74.23 H new ATOM 0 HG21 VAL A 78 -5.420 8.194 -4.042 1.00 4.14 H new ATOM 0 HG22 VAL A 78 -5.820 9.076 -2.549 1.00 4.14 H new ATOM 0 HG23 VAL A 78 -6.980 7.912 -3.233 1.00 4.14 H new ATOM 1300 N PRO A 79 -9.738 8.750 -3.429 1.00 52.04 N ATOM 1301 CA PRO A 79 -10.571 7.700 -2.836 1.00 13.33 C ATOM 1302 C PRO A 79 -9.788 6.418 -2.573 1.00 14.45 C ATOM 1303 O PRO A 79 -9.303 5.773 -3.503 1.00 31.30 O ATOM 1304 CB PRO A 79 -11.649 7.460 -3.895 1.00 51.03 C ATOM 1305 CG PRO A 79 -11.020 7.880 -5.178 1.00 4.21 C ATOM 1306 CD PRO A 79 -10.095 9.015 -4.834 1.00 25.11 C ATOM 0 HA PRO A 79 -10.967 7.995 -1.865 1.00 13.33 H new ATOM 0 HB2 PRO A 79 -11.948 6.412 -3.925 1.00 51.03 H new ATOM 0 HB3 PRO A 79 -12.547 8.042 -3.685 1.00 51.03 H new ATOM 0 HG2 PRO A 79 -10.472 7.054 -5.633 1.00 4.21 H new ATOM 0 HG3 PRO A 79 -11.775 8.196 -5.898 1.00 4.21 H new ATOM 0 HD2 PRO A 79 -9.215 9.025 -5.477 1.00 25.11 H new ATOM 0 HD3 PRO A 79 -10.585 9.982 -4.949 1.00 25.11 H new ATOM 1314 N LEU A 80 -9.669 6.053 -1.302 1.00 3.45 N ATOM 1315 CA LEU A 80 -8.944 4.847 -0.916 1.00 33.04 C ATOM 1316 C LEU A 80 -9.872 3.852 -0.227 1.00 30.44 C ATOM 1317 O LEU A 80 -11.035 4.155 0.043 1.00 15.35 O ATOM 1318 CB LEU A 80 -7.780 5.202 0.011 1.00 65.53 C ATOM 1319 CG LEU A 80 -8.117 6.108 1.195 1.00 31.12 C ATOM 1320 CD1 LEU A 80 -8.447 5.278 2.426 1.00 4.13 C ATOM 1321 CD2 LEU A 80 -6.964 7.059 1.483 1.00 1.14 C ATOM 0 H LEU A 80 -10.065 6.575 -0.520 1.00 3.45 H new ATOM 0 HA LEU A 80 -8.551 4.384 -1.821 1.00 33.04 H new ATOM 0 HB2 LEU A 80 -7.354 4.276 0.398 1.00 65.53 H new ATOM 0 HB3 LEU A 80 -7.004 5.686 -0.582 1.00 65.53 H new ATOM 0 HG LEU A 80 -8.995 6.700 0.937 1.00 31.12 H new ATOM 0 HD11 LEU A 80 -8.684 5.940 3.259 1.00 4.13 H new ATOM 0 HD12 LEU A 80 -9.305 4.639 2.215 1.00 4.13 H new ATOM 0 HD13 LEU A 80 -7.589 4.659 2.688 1.00 4.13 H new ATOM 0 HD21 LEU A 80 -7.221 7.697 2.329 1.00 1.14 H new ATOM 0 HD22 LEU A 80 -6.069 6.484 1.721 1.00 1.14 H new ATOM 0 HD23 LEU A 80 -6.775 7.678 0.606 1.00 1.14 H new ATOM 1333 N LEU A 81 -9.351 2.663 0.055 1.00 35.33 N ATOM 1334 CA LEU A 81 -10.132 1.622 0.714 1.00 12.03 C ATOM 1335 C LEU A 81 -9.345 0.994 1.860 1.00 24.30 C ATOM 1336 O LEU A 81 -8.137 0.776 1.751 1.00 52.20 O ATOM 1337 CB LEU A 81 -10.537 0.545 -0.293 1.00 22.02 C ATOM 1338 CG LEU A 81 -11.864 -0.163 -0.021 1.00 34.42 C ATOM 1339 CD1 LEU A 81 -11.870 -0.772 1.373 1.00 54.12 C ATOM 1340 CD2 LEU A 81 -13.028 0.802 -0.188 1.00 74.15 C ATOM 0 H LEU A 81 -8.391 2.396 -0.162 1.00 35.33 H new ATOM 0 HA LEU A 81 -11.031 2.082 1.124 1.00 12.03 H new ATOM 0 HB2 LEU A 81 -10.587 1.001 -1.282 1.00 22.02 H new ATOM 0 HB3 LEU A 81 -9.748 -0.206 -0.328 1.00 22.02 H new ATOM 0 HG LEU A 81 -11.978 -0.968 -0.747 1.00 34.42 H new ATOM 0 HD11 LEU A 81 -12.823 -1.271 1.548 1.00 54.12 H new ATOM 0 HD12 LEU A 81 -11.060 -1.496 1.457 1.00 54.12 H new ATOM 0 HD13 LEU A 81 -11.731 0.015 2.114 1.00 54.12 H new ATOM 0 HD21 LEU A 81 -13.964 0.280 0.010 1.00 74.15 H new ATOM 0 HD22 LEU A 81 -12.918 1.629 0.513 1.00 74.15 H new ATOM 0 HD23 LEU A 81 -13.036 1.189 -1.207 1.00 74.15 H new ATOM 1352 N HIS A 82 -10.037 0.702 2.956 1.00 25.43 N ATOM 1353 CA HIS A 82 -9.402 0.094 4.121 1.00 20.24 C ATOM 1354 C HIS A 82 -9.883 -1.341 4.316 1.00 42.23 C ATOM 1355 O HIS A 82 -11.081 -1.592 4.448 1.00 21.31 O ATOM 1356 CB HIS A 82 -9.697 0.917 5.375 1.00 4.51 C ATOM 1357 CG HIS A 82 -9.052 2.269 5.369 1.00 3.45 C ATOM 1358 ND1 HIS A 82 -8.738 2.958 6.523 1.00 63.44 N ATOM 1359 CD2 HIS A 82 -8.659 3.059 4.342 1.00 12.14 C ATOM 1360 CE1 HIS A 82 -8.182 4.114 6.205 1.00 61.13 C ATOM 1361 NE2 HIS A 82 -8.123 4.199 4.887 1.00 41.41 N ATOM 0 H HIS A 82 -11.036 0.876 3.063 1.00 25.43 H new ATOM 0 HA HIS A 82 -8.326 0.077 3.950 1.00 20.24 H new ATOM 0 HB2 HIS A 82 -10.776 1.038 5.475 1.00 4.51 H new ATOM 0 HB3 HIS A 82 -9.356 0.365 6.251 1.00 4.51 H new ATOM 0 HD1 HIS A 82 -8.908 2.627 7.473 1.00 63.44 H new ATOM 0 HD2 HIS A 82 -8.750 2.834 3.290 1.00 12.14 H new ATOM 0 HE1 HIS A 82 -7.835 4.862 6.903 1.00 61.13 H new ATOM 1370 N CYS A 83 -8.941 -2.278 4.332 1.00 61.32 N ATOM 1371 CA CYS A 83 -9.267 -3.688 4.508 1.00 71.14 C ATOM 1372 C CYS A 83 -8.744 -4.203 5.845 1.00 25.51 C ATOM 1373 O CYS A 83 -7.596 -4.638 5.948 1.00 11.35 O ATOM 1374 CB CYS A 83 -8.679 -4.516 3.364 1.00 34.22 C ATOM 1375 SG CYS A 83 -9.675 -4.488 1.838 1.00 10.13 S ATOM 0 H CYS A 83 -7.945 -2.086 4.225 1.00 61.32 H new ATOM 0 HA CYS A 83 -10.352 -3.789 4.499 1.00 71.14 H new ATOM 0 HB2 CYS A 83 -7.679 -4.147 3.139 1.00 34.22 H new ATOM 0 HB3 CYS A 83 -8.570 -5.549 3.696 1.00 34.22 H new ATOM 1380 N ASP A 84 -9.593 -4.154 6.866 1.00 63.23 N ATOM 1381 CA ASP A 84 -9.217 -4.618 8.197 1.00 71.12 C ATOM 1382 C ASP A 84 -9.694 -6.049 8.428 1.00 40.33 C ATOM 1383 O ASP A 84 -10.887 -6.340 8.336 1.00 13.41 O ATOM 1384 CB ASP A 84 -9.802 -3.693 9.265 1.00 12.42 C ATOM 1385 CG ASP A 84 -9.416 -4.115 10.670 1.00 41.12 C ATOM 1386 OD1 ASP A 84 -8.302 -4.654 10.843 1.00 73.33 O ATOM 1387 OD2 ASP A 84 -10.227 -3.905 11.596 1.00 42.42 O ATOM 0 H ASP A 84 -10.546 -3.798 6.798 1.00 63.23 H new ATOM 0 HA ASP A 84 -8.129 -4.601 8.268 1.00 71.12 H new ATOM 0 HB2 ASP A 84 -9.458 -2.674 9.087 1.00 12.42 H new ATOM 0 HB3 ASP A 84 -10.888 -3.683 9.177 1.00 12.42 H new ATOM 1392 N LEU A 85 -8.754 -6.937 8.728 1.00 0.04 N ATOM 1393 CA LEU A 85 -9.076 -8.339 8.972 1.00 33.45 C ATOM 1394 C LEU A 85 -10.168 -8.470 10.030 1.00 74.01 C ATOM 1395 O LEU A 85 -9.956 -8.148 11.199 1.00 64.43 O ATOM 1396 CB LEU A 85 -7.827 -9.101 9.418 1.00 62.04 C ATOM 1397 CG LEU A 85 -7.939 -10.625 9.428 1.00 25.24 C ATOM 1398 CD1 LEU A 85 -7.858 -11.178 8.013 1.00 11.21 C ATOM 1399 CD2 LEU A 85 -6.852 -11.234 10.303 1.00 50.22 C ATOM 0 H LEU A 85 -7.762 -6.712 8.808 1.00 0.04 H new ATOM 0 HA LEU A 85 -9.443 -8.769 8.040 1.00 33.45 H new ATOM 0 HB2 LEU A 85 -7.002 -8.822 8.763 1.00 62.04 H new ATOM 0 HB3 LEU A 85 -7.563 -8.769 10.422 1.00 62.04 H new ATOM 0 HG LEU A 85 -8.909 -10.895 9.846 1.00 25.24 H new ATOM 0 HD11 LEU A 85 -7.940 -12.265 8.042 1.00 11.21 H new ATOM 0 HD12 LEU A 85 -8.672 -10.769 7.415 1.00 11.21 H new ATOM 0 HD13 LEU A 85 -6.904 -10.898 7.567 1.00 11.21 H new ATOM 0 HD21 LEU A 85 -6.947 -12.320 10.298 1.00 50.22 H new ATOM 0 HD22 LEU A 85 -5.873 -10.954 9.915 1.00 50.22 H new ATOM 0 HD23 LEU A 85 -6.957 -10.865 11.323 1.00 50.22 H new ATOM 1411 N ILE A 86 -11.336 -8.946 9.610 1.00 52.32 N ATOM 1412 CA ILE A 86 -12.460 -9.122 10.521 1.00 32.52 C ATOM 1413 C ILE A 86 -12.100 -10.068 11.662 1.00 12.44 C ATOM 1414 O ILE A 86 -12.338 -9.766 12.831 1.00 51.24 O ATOM 1415 CB ILE A 86 -13.699 -9.670 9.788 1.00 20.13 C ATOM 1416 CG1 ILE A 86 -14.200 -8.655 8.758 1.00 21.13 C ATOM 1417 CG2 ILE A 86 -14.798 -10.008 10.784 1.00 21.21 C ATOM 1418 CD1 ILE A 86 -15.234 -9.218 7.809 1.00 34.32 C ATOM 0 H ILE A 86 -11.528 -9.216 8.645 1.00 52.32 H new ATOM 0 HA ILE A 86 -12.693 -8.138 10.927 1.00 32.52 H new ATOM 0 HB ILE A 86 -13.418 -10.583 9.264 1.00 20.13 H new ATOM 0 HG12 ILE A 86 -14.626 -7.799 9.281 1.00 21.13 H new ATOM 0 HG13 ILE A 86 -13.352 -8.286 8.181 1.00 21.13 H new ATOM 0 HG21 ILE A 86 -15.667 -10.394 10.250 1.00 21.21 H new ATOM 0 HG22 ILE A 86 -14.436 -10.763 11.483 1.00 21.21 H new ATOM 0 HG23 ILE A 86 -15.080 -9.110 11.334 1.00 21.21 H new ATOM 0 HD11 ILE A 86 -15.544 -8.444 7.107 1.00 34.32 H new ATOM 0 HD12 ILE A 86 -14.805 -10.056 7.259 1.00 34.32 H new ATOM 0 HD13 ILE A 86 -16.099 -9.561 8.376 1.00 34.32 H new ATOM 1430 N ASN A 87 -11.521 -11.212 11.315 1.00 62.20 N ATOM 1431 CA ASN A 87 -11.125 -12.202 12.311 1.00 13.20 C ATOM 1432 C ASN A 87 -10.042 -11.647 13.229 1.00 41.11 C ATOM 1433 O ASN A 87 -8.901 -11.426 12.822 1.00 21.01 O ATOM 1434 CB ASN A 87 -10.625 -13.475 11.624 1.00 50.21 C ATOM 1435 CG ASN A 87 -11.642 -14.048 10.656 1.00 32.13 C ATOM 1436 OD1 ASN A 87 -12.850 -13.928 10.865 1.00 5.01 O ATOM 1437 ND2 ASN A 87 -11.157 -14.675 9.591 1.00 2.04 N ATOM 0 H ASN A 87 -11.315 -11.477 10.352 1.00 62.20 H new ATOM 0 HA ASN A 87 -12.000 -12.443 12.915 1.00 13.20 H new ATOM 0 HB2 ASN A 87 -9.701 -13.257 11.089 1.00 50.21 H new ATOM 0 HB3 ASN A 87 -10.386 -14.223 12.380 1.00 50.21 H new ATOM 0 HD21 ASN A 87 -11.793 -15.081 8.905 1.00 2.04 H new ATOM 0 HD22 ASN A 87 -10.148 -14.750 9.459 1.00 2.04 H new ATOM 1444 N PRO A 88 -10.404 -11.414 14.500 1.00 64.41 N ATOM 1445 CA PRO A 88 -9.477 -10.884 15.503 1.00 52.52 C ATOM 1446 C PRO A 88 -8.401 -11.892 15.891 1.00 71.41 C ATOM 1447 O PRO A 88 -8.693 -12.922 16.498 1.00 41.24 O ATOM 1448 CB PRO A 88 -10.384 -10.581 16.699 1.00 24.21 C ATOM 1449 CG PRO A 88 -11.544 -11.502 16.537 1.00 61.12 C ATOM 1450 CD PRO A 88 -11.747 -11.654 15.055 1.00 62.32 C ATOM 0 HA PRO A 88 -8.931 -10.016 15.134 1.00 52.52 H new ATOM 0 HB2 PRO A 88 -9.867 -10.757 17.642 1.00 24.21 H new ATOM 0 HB3 PRO A 88 -10.703 -9.539 16.700 1.00 24.21 H new ATOM 0 HG2 PRO A 88 -11.345 -12.466 17.005 1.00 61.12 H new ATOM 0 HG3 PRO A 88 -12.436 -11.094 17.013 1.00 61.12 H new ATOM 0 HD2 PRO A 88 -12.116 -12.648 14.800 1.00 62.32 H new ATOM 0 HD3 PRO A 88 -12.474 -10.937 14.673 1.00 62.32 H new ATOM 1458 N GLY A 89 -7.156 -11.590 15.536 1.00 13.30 N ATOM 1459 CA GLY A 89 -6.056 -12.480 15.856 1.00 21.22 C ATOM 1460 C GLY A 89 -5.883 -13.579 14.828 1.00 64.41 C ATOM 1461 O GLY A 89 -5.161 -14.549 15.061 1.00 11.22 O ATOM 0 H GLY A 89 -6.890 -10.744 15.032 1.00 13.30 H new ATOM 0 HA2 GLY A 89 -5.134 -11.903 15.925 1.00 21.22 H new ATOM 0 HA3 GLY A 89 -6.227 -12.926 16.836 1.00 21.22 H new ATOM 1465 N ALA A 90 -6.548 -13.431 13.687 1.00 0.22 N ATOM 1466 CA ALA A 90 -6.463 -14.419 12.619 1.00 11.05 C ATOM 1467 C ALA A 90 -5.117 -14.345 11.908 1.00 64.44 C ATOM 1468 O ALA A 90 -4.800 -13.345 11.263 1.00 14.42 O ATOM 1469 CB ALA A 90 -7.599 -14.222 11.625 1.00 12.35 C ATOM 0 H ALA A 90 -7.152 -12.636 13.479 1.00 0.22 H new ATOM 0 HA ALA A 90 -6.554 -15.409 13.066 1.00 11.05 H new ATOM 0 HB1 ALA A 90 -7.523 -14.967 10.833 1.00 12.35 H new ATOM 0 HB2 ALA A 90 -8.554 -14.334 12.138 1.00 12.35 H new ATOM 0 HB3 ALA A 90 -7.534 -13.224 11.192 1.00 12.35 H new ATOM 1475 N GLN A 91 -4.329 -15.409 12.028 1.00 2.31 N ATOM 1476 CA GLN A 91 -3.016 -15.462 11.396 1.00 0.12 C ATOM 1477 C GLN A 91 -2.945 -16.599 10.383 1.00 52.14 C ATOM 1478 O GLN A 91 -2.134 -17.514 10.517 1.00 42.10 O ATOM 1479 CB GLN A 91 -1.925 -15.637 12.454 1.00 1.15 C ATOM 1480 CG GLN A 91 -0.522 -15.374 11.931 1.00 2.22 C ATOM 1481 CD GLN A 91 0.539 -15.522 13.005 1.00 73.33 C ATOM 1482 OE1 GLN A 91 1.054 -14.532 13.525 1.00 34.43 O ATOM 1483 NE2 GLN A 91 0.871 -16.762 13.342 1.00 73.21 N ATOM 0 H GLN A 91 -4.577 -16.245 12.557 1.00 2.31 H new ATOM 0 HA GLN A 91 -2.855 -14.521 10.870 1.00 0.12 H new ATOM 0 HB2 GLN A 91 -2.126 -14.962 13.286 1.00 1.15 H new ATOM 0 HB3 GLN A 91 -1.972 -16.652 12.848 1.00 1.15 H new ATOM 0 HG2 GLN A 91 -0.307 -16.065 11.116 1.00 2.22 H new ATOM 0 HG3 GLN A 91 -0.476 -14.367 11.516 1.00 2.22 H new ATOM 0 HE21 GLN A 91 0.418 -17.553 12.885 1.00 73.21 H new ATOM 0 HE22 GLN A 91 1.579 -16.924 14.058 1.00 73.21 H new ATOM 1492 N ASN A 92 -3.800 -16.533 9.367 1.00 31.12 N ATOM 1493 CA ASN A 92 -3.835 -17.558 8.330 1.00 73.02 C ATOM 1494 C ASN A 92 -4.640 -17.083 7.124 1.00 21.41 C ATOM 1495 O ASN A 92 -5.865 -16.980 7.184 1.00 54.22 O ATOM 1496 CB ASN A 92 -4.438 -18.852 8.882 1.00 41.11 C ATOM 1497 CG ASN A 92 -4.178 -19.022 10.366 1.00 63.41 C ATOM 1498 OD1 ASN A 92 -4.880 -18.451 11.201 1.00 21.41 O ATOM 1499 ND2 ASN A 92 -3.164 -19.812 10.702 1.00 71.24 N ATOM 0 H ASN A 92 -4.477 -15.781 9.240 1.00 31.12 H new ATOM 0 HA ASN A 92 -2.811 -17.750 8.009 1.00 73.02 H new ATOM 0 HB2 ASN A 92 -5.513 -18.855 8.701 1.00 41.11 H new ATOM 0 HB3 ASN A 92 -4.022 -19.703 8.343 1.00 41.11 H new ATOM 0 HD21 ASN A 92 -2.941 -19.965 11.685 1.00 71.24 H new ATOM 0 HD22 ASN A 92 -2.609 -20.265 9.976 1.00 71.24 H new ATOM 1506 N ILE A 93 -3.943 -16.798 6.030 1.00 61.13 N ATOM 1507 CA ILE A 93 -4.592 -16.337 4.809 1.00 41.25 C ATOM 1508 C ILE A 93 -5.629 -17.343 4.324 1.00 62.02 C ATOM 1509 O ILE A 93 -6.435 -17.044 3.442 1.00 41.14 O ATOM 1510 CB ILE A 93 -3.568 -16.089 3.685 1.00 11.23 C ATOM 1511 CG1 ILE A 93 -2.955 -17.413 3.224 1.00 51.01 C ATOM 1512 CG2 ILE A 93 -2.483 -15.133 4.158 1.00 52.20 C ATOM 1513 CD1 ILE A 93 -2.030 -17.268 2.035 1.00 14.12 C ATOM 0 H ILE A 93 -2.928 -16.878 5.964 1.00 61.13 H new ATOM 0 HA ILE A 93 -5.087 -15.397 5.051 1.00 41.25 H new ATOM 0 HB ILE A 93 -4.082 -15.633 2.839 1.00 11.23 H new ATOM 0 HG12 ILE A 93 -2.402 -17.856 4.052 1.00 51.01 H new ATOM 0 HG13 ILE A 93 -3.757 -18.106 2.968 1.00 51.01 H new ATOM 0 HG21 ILE A 93 -1.767 -14.968 3.353 1.00 52.20 H new ATOM 0 HG22 ILE A 93 -2.934 -14.183 4.443 1.00 52.20 H new ATOM 0 HG23 ILE A 93 -1.969 -15.563 5.018 1.00 52.20 H new ATOM 0 HD11 ILE A 93 -1.632 -18.245 1.763 1.00 14.12 H new ATOM 0 HD12 ILE A 93 -2.583 -16.854 1.192 1.00 14.12 H new ATOM 0 HD13 ILE A 93 -1.208 -16.600 2.293 1.00 14.12 H new ATOM 1525 N SER A 94 -5.604 -18.537 4.906 1.00 33.14 N ATOM 1526 CA SER A 94 -6.541 -19.590 4.533 1.00 71.51 C ATOM 1527 C SER A 94 -7.983 -19.120 4.701 1.00 14.24 C ATOM 1528 O SER A 94 -8.773 -19.154 3.759 1.00 11.24 O ATOM 1529 CB SER A 94 -6.299 -20.843 5.378 1.00 54.32 C ATOM 1530 OG SER A 94 -7.302 -21.815 5.147 1.00 21.41 O ATOM 0 H SER A 94 -4.945 -18.800 5.638 1.00 33.14 H new ATOM 0 HA SER A 94 -6.376 -19.832 3.483 1.00 71.51 H new ATOM 0 HB2 SER A 94 -5.321 -21.262 5.141 1.00 54.32 H new ATOM 0 HB3 SER A 94 -6.284 -20.576 6.435 1.00 54.32 H new ATOM 0 HG SER A 94 -7.124 -22.606 5.697 1.00 21.41 H new ATOM 1536 N ASN A 95 -8.318 -18.681 5.911 1.00 65.13 N ATOM 1537 CA ASN A 95 -9.664 -18.204 6.205 1.00 2.35 C ATOM 1538 C ASN A 95 -9.619 -16.853 6.913 1.00 14.21 C ATOM 1539 O ASN A 95 -10.328 -16.630 7.894 1.00 13.45 O ATOM 1540 CB ASN A 95 -10.410 -19.221 7.072 1.00 44.11 C ATOM 1541 CG ASN A 95 -11.133 -20.265 6.243 1.00 14.34 C ATOM 1542 OD1 ASN A 95 -12.036 -19.943 5.470 1.00 45.04 O ATOM 1543 ND2 ASN A 95 -10.740 -21.523 6.403 1.00 74.13 N ATOM 0 H ASN A 95 -7.676 -18.646 6.703 1.00 65.13 H new ATOM 0 HA ASN A 95 -10.194 -18.083 5.260 1.00 2.35 H new ATOM 0 HB2 ASN A 95 -9.703 -19.715 7.738 1.00 44.11 H new ATOM 0 HB3 ASN A 95 -11.130 -18.699 7.702 1.00 44.11 H new ATOM 0 HD21 ASN A 95 -11.191 -22.269 5.874 1.00 74.13 H new ATOM 0 HD22 ASN A 95 -9.987 -21.743 7.055 1.00 74.13 H new ATOM 1550 N CYS A 96 -8.781 -15.953 6.407 1.00 11.11 N ATOM 1551 CA CYS A 96 -8.644 -14.624 6.990 1.00 60.02 C ATOM 1552 C CYS A 96 -9.678 -13.665 6.406 1.00 1.34 C ATOM 1553 O CYS A 96 -9.542 -13.205 5.272 1.00 74.21 O ATOM 1554 CB CYS A 96 -7.234 -14.081 6.746 1.00 63.42 C ATOM 1555 SG CYS A 96 -6.087 -14.339 8.137 1.00 54.51 S ATOM 0 H CYS A 96 -8.187 -16.121 5.595 1.00 11.11 H new ATOM 0 HA CYS A 96 -8.815 -14.705 8.063 1.00 60.02 H new ATOM 0 HB2 CYS A 96 -6.822 -14.557 5.856 1.00 63.42 H new ATOM 0 HB3 CYS A 96 -7.299 -13.013 6.536 1.00 63.42 H new ATOM 1560 N ARG A 97 -10.709 -13.368 7.190 1.00 74.34 N ATOM 1561 CA ARG A 97 -11.767 -12.465 6.751 1.00 2.42 C ATOM 1562 C ARG A 97 -11.308 -11.011 6.831 1.00 21.24 C ATOM 1563 O ARG A 97 -10.505 -10.650 7.691 1.00 21.30 O ATOM 1564 CB ARG A 97 -13.021 -12.663 7.604 1.00 0.35 C ATOM 1565 CG ARG A 97 -13.827 -13.895 7.227 1.00 43.43 C ATOM 1566 CD ARG A 97 -14.373 -13.791 5.811 1.00 21.05 C ATOM 1567 NE ARG A 97 -15.292 -14.883 5.498 1.00 40.31 N ATOM 1568 CZ ARG A 97 -14.896 -16.079 5.077 1.00 4.02 C ATOM 1569 NH1 ARG A 97 -13.605 -16.336 4.922 1.00 63.52 N ATOM 1570 NH2 ARG A 97 -15.792 -17.021 4.813 1.00 72.13 N ATOM 0 H ARG A 97 -10.835 -13.739 8.132 1.00 74.34 H new ATOM 0 HA ARG A 97 -12.002 -12.697 5.712 1.00 2.42 H new ATOM 0 HB2 ARG A 97 -12.729 -12.737 8.652 1.00 0.35 H new ATOM 0 HB3 ARG A 97 -13.656 -11.782 7.511 1.00 0.35 H new ATOM 0 HG2 ARG A 97 -13.199 -14.782 7.312 1.00 43.43 H new ATOM 0 HG3 ARG A 97 -14.652 -14.020 7.928 1.00 43.43 H new ATOM 0 HD2 ARG A 97 -14.888 -12.838 5.690 1.00 21.05 H new ATOM 0 HD3 ARG A 97 -13.545 -13.799 5.102 1.00 21.05 H new ATOM 0 HE ARG A 97 -16.292 -14.718 5.609 1.00 40.31 H new ATOM 0 HH11 ARG A 97 -12.913 -15.615 5.126 1.00 63.52 H new ATOM 0 HH12 ARG A 97 -13.303 -17.255 4.599 1.00 63.52 H new ATOM 0 HH21 ARG A 97 -16.786 -16.827 4.933 1.00 72.13 H new ATOM 0 HH22 ARG A 97 -15.487 -17.939 4.490 1.00 72.13 H new ATOM 1584 N TYR A 98 -11.823 -10.185 5.929 1.00 73.14 N ATOM 1585 CA TYR A 98 -11.465 -8.772 5.895 1.00 52.24 C ATOM 1586 C TYR A 98 -12.701 -7.900 5.694 1.00 64.14 C ATOM 1587 O TYR A 98 -13.632 -8.279 4.983 1.00 1.24 O ATOM 1588 CB TYR A 98 -10.454 -8.507 4.778 1.00 63.14 C ATOM 1589 CG TYR A 98 -9.084 -9.086 5.051 1.00 14.10 C ATOM 1590 CD1 TYR A 98 -8.122 -8.351 5.733 1.00 2.31 C ATOM 1591 CD2 TYR A 98 -8.752 -10.366 4.627 1.00 63.15 C ATOM 1592 CE1 TYR A 98 -6.868 -8.875 5.985 1.00 72.53 C ATOM 1593 CE2 TYR A 98 -7.502 -10.900 4.876 1.00 41.55 C ATOM 1594 CZ TYR A 98 -6.563 -10.150 5.554 1.00 33.14 C ATOM 1595 OH TYR A 98 -5.317 -10.677 5.803 1.00 63.45 O ATOM 0 H TYR A 98 -12.490 -10.469 5.211 1.00 73.14 H new ATOM 0 HA TYR A 98 -11.014 -8.515 6.854 1.00 52.24 H new ATOM 0 HB2 TYR A 98 -10.837 -8.924 3.847 1.00 63.14 H new ATOM 0 HB3 TYR A 98 -10.362 -7.431 4.631 1.00 63.14 H new ATOM 0 HD1 TYR A 98 -8.358 -7.353 6.072 1.00 2.31 H new ATOM 0 HD2 TYR A 98 -9.484 -10.954 4.093 1.00 63.15 H new ATOM 0 HE1 TYR A 98 -6.131 -8.290 6.516 1.00 72.53 H new ATOM 0 HE2 TYR A 98 -7.261 -11.898 4.542 1.00 41.55 H new ATOM 0 HH TYR A 98 -4.950 -10.278 6.620 1.00 63.45 H new ATOM 1605 N ALA A 99 -12.701 -6.730 6.323 1.00 21.34 N ATOM 1606 CA ALA A 99 -13.821 -5.803 6.212 1.00 3.41 C ATOM 1607 C ALA A 99 -13.546 -4.735 5.159 1.00 12.13 C ATOM 1608 O ALA A 99 -12.395 -4.485 4.800 1.00 32.32 O ATOM 1609 CB ALA A 99 -14.106 -5.158 7.560 1.00 54.01 C ATOM 0 H ALA A 99 -11.938 -6.401 6.915 1.00 21.34 H new ATOM 0 HA ALA A 99 -14.699 -6.367 5.898 1.00 3.41 H new ATOM 0 HB1 ALA A 99 -14.944 -4.468 7.463 1.00 54.01 H new ATOM 0 HB2 ALA A 99 -14.354 -5.931 8.288 1.00 54.01 H new ATOM 0 HB3 ALA A 99 -13.224 -4.612 7.896 1.00 54.01 H new ATOM 1615 N ASP A 100 -14.609 -4.107 4.669 1.00 32.43 N ATOM 1616 CA ASP A 100 -14.483 -3.065 3.657 1.00 41.40 C ATOM 1617 C ASP A 100 -14.976 -1.724 4.193 1.00 4.04 C ATOM 1618 O ASP A 100 -16.053 -1.639 4.784 1.00 45.13 O ATOM 1619 CB ASP A 100 -15.268 -3.446 2.402 1.00 73.34 C ATOM 1620 CG ASP A 100 -14.783 -4.744 1.787 1.00 72.12 C ATOM 1621 OD1 ASP A 100 -14.992 -5.808 2.406 1.00 14.51 O ATOM 1622 OD2 ASP A 100 -14.195 -4.696 0.686 1.00 2.15 O ATOM 0 H ASP A 100 -15.568 -4.302 4.956 1.00 32.43 H new ATOM 0 HA ASP A 100 -13.428 -2.968 3.401 1.00 41.40 H new ATOM 0 HB2 ASP A 100 -16.325 -3.539 2.652 1.00 73.34 H new ATOM 0 HB3 ASP A 100 -15.183 -2.645 1.667 1.00 73.34 H new ATOM 1627 N ARG A 101 -14.180 -0.681 3.985 1.00 2.31 N ATOM 1628 CA ARG A 101 -14.534 0.656 4.449 1.00 22.22 C ATOM 1629 C ARG A 101 -13.950 1.723 3.528 1.00 22.05 C ATOM 1630 O ARG A 101 -12.752 2.004 3.545 1.00 24.22 O ATOM 1631 CB ARG A 101 -14.033 0.870 5.879 1.00 13.11 C ATOM 1632 CG ARG A 101 -14.617 2.104 6.549 1.00 44.32 C ATOM 1633 CD ARG A 101 -13.755 3.333 6.298 1.00 74.44 C ATOM 1634 NE ARG A 101 -14.340 4.538 6.879 1.00 1.45 N ATOM 1635 CZ ARG A 101 -13.796 5.745 6.770 1.00 2.23 C ATOM 1636 NH1 ARG A 101 -12.661 5.907 6.103 1.00 32.23 N ATOM 1637 NH2 ARG A 101 -14.387 6.793 7.328 1.00 54.22 N ATOM 0 H ARG A 101 -13.285 -0.735 3.498 1.00 2.31 H new ATOM 0 HA ARG A 101 -15.620 0.744 4.434 1.00 22.22 H new ATOM 0 HB2 ARG A 101 -14.278 -0.008 6.476 1.00 13.11 H new ATOM 0 HB3 ARG A 101 -12.946 0.954 5.866 1.00 13.11 H new ATOM 0 HG2 ARG A 101 -15.625 2.282 6.173 1.00 44.32 H new ATOM 0 HG3 ARG A 101 -14.703 1.931 7.622 1.00 44.32 H new ATOM 0 HD2 ARG A 101 -12.763 3.172 6.719 1.00 74.44 H new ATOM 0 HD3 ARG A 101 -13.627 3.473 5.225 1.00 74.44 H new ATOM 0 HE ARG A 101 -15.214 4.448 7.397 1.00 1.45 H new ATOM 0 HH11 ARG A 101 -12.204 5.104 5.672 1.00 32.23 H new ATOM 0 HH12 ARG A 101 -12.246 6.835 6.021 1.00 32.23 H new ATOM 0 HH21 ARG A 101 -15.260 6.673 7.841 1.00 54.22 H new ATOM 0 HH22 ARG A 101 -13.968 7.719 7.244 1.00 54.22 H new ATOM 1651 N PRO A 102 -14.815 2.333 2.706 1.00 72.53 N ATOM 1652 CA PRO A 102 -14.410 3.379 1.763 1.00 43.25 C ATOM 1653 C PRO A 102 -14.017 4.673 2.467 1.00 45.11 C ATOM 1654 O PRO A 102 -14.331 4.873 3.640 1.00 44.53 O ATOM 1655 CB PRO A 102 -15.661 3.594 0.909 1.00 13.24 C ATOM 1656 CG PRO A 102 -16.791 3.168 1.781 1.00 35.13 C ATOM 1657 CD PRO A 102 -16.258 2.048 2.633 1.00 34.21 C ATOM 0 HA PRO A 102 -13.531 3.089 1.188 1.00 43.25 H new ATOM 0 HB2 PRO A 102 -15.762 4.637 0.611 1.00 13.24 H new ATOM 0 HB3 PRO A 102 -15.622 3.003 -0.006 1.00 13.24 H new ATOM 0 HG2 PRO A 102 -17.141 3.995 2.398 1.00 35.13 H new ATOM 0 HG3 PRO A 102 -17.640 2.834 1.184 1.00 35.13 H new ATOM 0 HD2 PRO A 102 -16.717 2.042 3.622 1.00 34.21 H new ATOM 0 HD3 PRO A 102 -16.453 1.074 2.185 1.00 34.21 H new ATOM 1665 N GLY A 103 -13.327 5.550 1.743 1.00 5.25 N ATOM 1666 CA GLY A 103 -12.903 6.814 2.316 1.00 5.22 C ATOM 1667 C GLY A 103 -12.076 7.640 1.351 1.00 72.44 C ATOM 1668 O GLY A 103 -11.428 7.097 0.456 1.00 31.30 O ATOM 0 H GLY A 103 -13.054 5.407 0.770 1.00 5.25 H new ATOM 0 HA2 GLY A 103 -13.781 7.385 2.618 1.00 5.22 H new ATOM 0 HA3 GLY A 103 -12.321 6.624 3.218 1.00 5.22 H new ATOM 1672 N ARG A 104 -12.099 8.957 1.530 1.00 4.14 N ATOM 1673 CA ARG A 104 -11.348 9.859 0.666 1.00 53.15 C ATOM 1674 C ARG A 104 -10.355 10.687 1.475 1.00 3.11 C ATOM 1675 O ARG A 104 -10.745 11.584 2.223 1.00 5.54 O ATOM 1676 CB ARG A 104 -12.302 10.784 -0.093 1.00 3.54 C ATOM 1677 CG ARG A 104 -11.638 11.546 -1.228 1.00 41.13 C ATOM 1678 CD ARG A 104 -12.651 12.347 -2.030 1.00 14.41 C ATOM 1679 NE ARG A 104 -12.009 13.211 -3.017 1.00 4.13 N ATOM 1680 CZ ARG A 104 -12.638 14.189 -3.657 1.00 61.00 C ATOM 1681 NH1 ARG A 104 -13.920 14.429 -3.414 1.00 61.42 N ATOM 1682 NH2 ARG A 104 -11.986 14.932 -4.542 1.00 44.20 N ATOM 0 H ARG A 104 -12.630 9.423 2.266 1.00 4.14 H new ATOM 0 HA ARG A 104 -10.791 9.255 -0.051 1.00 53.15 H new ATOM 0 HB2 ARG A 104 -13.124 10.192 -0.496 1.00 3.54 H new ATOM 0 HB3 ARG A 104 -12.736 11.498 0.607 1.00 3.54 H new ATOM 0 HG2 ARG A 104 -10.881 12.217 -0.823 1.00 41.13 H new ATOM 0 HG3 ARG A 104 -11.124 10.845 -1.886 1.00 41.13 H new ATOM 0 HD2 ARG A 104 -13.334 11.664 -2.536 1.00 14.41 H new ATOM 0 HD3 ARG A 104 -13.251 12.954 -1.352 1.00 14.41 H new ATOM 0 HE ARG A 104 -11.023 13.054 -3.226 1.00 4.13 H new ATOM 0 HH11 ARG A 104 -14.425 13.861 -2.734 1.00 61.42 H new ATOM 0 HH12 ARG A 104 -14.400 15.181 -3.907 1.00 61.42 H new ATOM 0 HH21 ARG A 104 -11.000 14.752 -4.731 1.00 44.20 H new ATOM 0 HH22 ARG A 104 -12.471 15.683 -5.033 1.00 44.20 H new ATOM 1696 N ARG A 105 -9.071 10.380 1.321 1.00 33.42 N ATOM 1697 CA ARG A 105 -8.023 11.094 2.039 1.00 2.20 C ATOM 1698 C ARG A 105 -6.658 10.837 1.406 1.00 51.21 C ATOM 1699 O ARG A 105 -6.551 10.133 0.401 1.00 21.03 O ATOM 1700 CB ARG A 105 -8.002 10.670 3.509 1.00 73.35 C ATOM 1701 CG ARG A 105 -8.710 11.646 4.434 1.00 43.13 C ATOM 1702 CD ARG A 105 -9.345 10.932 5.617 1.00 12.33 C ATOM 1703 NE ARG A 105 -10.134 11.840 6.446 1.00 65.04 N ATOM 1704 CZ ARG A 105 -10.799 11.456 7.529 1.00 53.02 C ATOM 1705 NH1 ARG A 105 -10.772 10.187 7.912 1.00 4.22 N ATOM 1706 NH2 ARG A 105 -11.496 12.342 8.231 1.00 62.53 N ATOM 0 H ARG A 105 -8.732 9.641 0.705 1.00 33.42 H new ATOM 0 HA ARG A 105 -8.238 12.161 1.978 1.00 2.20 H new ATOM 0 HB2 ARG A 105 -8.469 9.690 3.602 1.00 73.35 H new ATOM 0 HB3 ARG A 105 -6.967 10.562 3.832 1.00 73.35 H new ATOM 0 HG2 ARG A 105 -7.998 12.388 4.795 1.00 43.13 H new ATOM 0 HG3 ARG A 105 -9.477 12.184 3.878 1.00 43.13 H new ATOM 0 HD2 ARG A 105 -9.983 10.126 5.254 1.00 12.33 H new ATOM 0 HD3 ARG A 105 -8.565 10.472 6.224 1.00 12.33 H new ATOM 0 HE ARG A 105 -10.176 12.823 6.178 1.00 65.04 H new ATOM 0 HH11 ARG A 105 -10.239 9.503 7.374 1.00 4.22 H new ATOM 0 HH12 ARG A 105 -11.284 9.895 8.744 1.00 4.22 H new ATOM 0 HH21 ARG A 105 -11.521 13.319 7.938 1.00 62.53 H new ATOM 0 HH22 ARG A 105 -12.007 12.046 9.063 1.00 62.53 H new ATOM 1720 N PHE A 106 -5.619 11.415 1.999 1.00 62.11 N ATOM 1721 CA PHE A 106 -4.261 11.250 1.492 1.00 34.21 C ATOM 1722 C PHE A 106 -3.673 9.914 1.935 1.00 35.02 C ATOM 1723 O PHE A 106 -4.329 9.133 2.626 1.00 73.34 O ATOM 1724 CB PHE A 106 -3.371 12.397 1.976 1.00 73.23 C ATOM 1725 CG PHE A 106 -4.045 13.739 1.929 1.00 62.23 C ATOM 1726 CD1 PHE A 106 -4.916 14.127 2.933 1.00 33.14 C ATOM 1727 CD2 PHE A 106 -3.806 14.613 0.880 1.00 20.45 C ATOM 1728 CE1 PHE A 106 -5.537 15.360 2.893 1.00 53.52 C ATOM 1729 CE2 PHE A 106 -4.424 15.848 0.834 1.00 23.21 C ATOM 1730 CZ PHE A 106 -5.290 16.223 1.842 1.00 35.54 C ATOM 0 H PHE A 106 -5.691 12.001 2.830 1.00 62.11 H new ATOM 0 HA PHE A 106 -4.302 11.265 0.403 1.00 34.21 H new ATOM 0 HB2 PHE A 106 -3.054 12.194 2.999 1.00 73.23 H new ATOM 0 HB3 PHE A 106 -2.470 12.430 1.364 1.00 73.23 H new ATOM 0 HD1 PHE A 106 -5.112 13.457 3.757 1.00 33.14 H new ATOM 0 HD2 PHE A 106 -3.129 14.325 0.089 1.00 20.45 H new ATOM 0 HE1 PHE A 106 -6.215 15.650 3.682 1.00 53.52 H new ATOM 0 HE2 PHE A 106 -4.230 16.519 0.011 1.00 23.21 H new ATOM 0 HZ PHE A 106 -5.773 17.188 1.809 1.00 35.54 H new ATOM 1740 N TYR A 107 -2.433 9.657 1.533 1.00 11.23 N ATOM 1741 CA TYR A 107 -1.757 8.415 1.886 1.00 1.02 C ATOM 1742 C TYR A 107 -0.284 8.664 2.192 1.00 50.32 C ATOM 1743 O TYR A 107 0.382 9.444 1.511 1.00 74.44 O ATOM 1744 CB TYR A 107 -1.888 7.398 0.751 1.00 75.12 C ATOM 1745 CG TYR A 107 -1.516 7.954 -0.605 1.00 60.12 C ATOM 1746 CD1 TYR A 107 -0.192 8.228 -0.926 1.00 40.41 C ATOM 1747 CD2 TYR A 107 -2.487 8.205 -1.566 1.00 75.15 C ATOM 1748 CE1 TYR A 107 0.154 8.736 -2.163 1.00 12.22 C ATOM 1749 CE2 TYR A 107 -2.152 8.712 -2.806 1.00 44.22 C ATOM 1750 CZ TYR A 107 -0.830 8.976 -3.100 1.00 22.35 C ATOM 1751 OH TYR A 107 -0.491 9.482 -4.334 1.00 72.25 O ATOM 0 H TYR A 107 -1.876 10.293 0.962 1.00 11.23 H new ATOM 0 HA TYR A 107 -2.233 8.014 2.781 1.00 1.02 H new ATOM 0 HB2 TYR A 107 -1.253 6.539 0.969 1.00 75.12 H new ATOM 0 HB3 TYR A 107 -2.915 7.035 0.716 1.00 75.12 H new ATOM 0 HD1 TYR A 107 0.581 8.040 -0.195 1.00 40.41 H new ATOM 0 HD2 TYR A 107 -3.523 8.000 -1.339 1.00 75.15 H new ATOM 0 HE1 TYR A 107 1.188 8.944 -2.395 1.00 12.22 H new ATOM 0 HE2 TYR A 107 -2.920 8.901 -3.541 1.00 44.22 H new ATOM 0 HH TYR A 107 -1.300 9.592 -4.876 1.00 72.25 H new ATOM 1761 N VAL A 108 0.221 7.995 3.224 1.00 1.34 N ATOM 1762 CA VAL A 108 1.616 8.142 3.621 1.00 4.42 C ATOM 1763 C VAL A 108 2.447 6.948 3.164 1.00 34.30 C ATOM 1764 O VAL A 108 2.363 5.863 3.741 1.00 62.23 O ATOM 1765 CB VAL A 108 1.753 8.293 5.148 1.00 33.21 C ATOM 1766 CG1 VAL A 108 3.218 8.338 5.552 1.00 22.01 C ATOM 1767 CG2 VAL A 108 1.020 9.537 5.627 1.00 12.20 C ATOM 0 H VAL A 108 -0.315 7.346 3.800 1.00 1.34 H new ATOM 0 HA VAL A 108 1.988 9.046 3.139 1.00 4.42 H new ATOM 0 HB VAL A 108 1.298 7.424 5.624 1.00 33.21 H new ATOM 0 HG11 VAL A 108 3.294 8.445 6.634 1.00 22.01 H new ATOM 0 HG12 VAL A 108 3.709 7.415 5.243 1.00 22.01 H new ATOM 0 HG13 VAL A 108 3.703 9.186 5.069 1.00 22.01 H new ATOM 0 HG21 VAL A 108 1.127 9.629 6.708 1.00 12.20 H new ATOM 0 HG22 VAL A 108 1.444 10.418 5.144 1.00 12.20 H new ATOM 0 HG23 VAL A 108 -0.037 9.457 5.372 1.00 12.20 H new ATOM 1777 N VAL A 109 3.248 7.155 2.125 1.00 70.54 N ATOM 1778 CA VAL A 109 4.095 6.096 1.590 1.00 24.21 C ATOM 1779 C VAL A 109 5.566 6.493 1.634 1.00 44.31 C ATOM 1780 O VAL A 109 5.921 7.634 1.340 1.00 62.43 O ATOM 1781 CB VAL A 109 3.712 5.749 0.138 1.00 42.41 C ATOM 1782 CG1 VAL A 109 2.231 5.998 -0.098 1.00 13.52 C ATOM 1783 CG2 VAL A 109 4.559 6.548 -0.841 1.00 52.23 C ATOM 0 H VAL A 109 3.329 8.047 1.636 1.00 70.54 H new ATOM 0 HA VAL A 109 3.939 5.219 2.219 1.00 24.21 H new ATOM 0 HB VAL A 109 3.908 4.690 -0.028 1.00 42.41 H new ATOM 0 HG11 VAL A 109 1.980 5.747 -1.129 1.00 13.52 H new ATOM 0 HG12 VAL A 109 1.645 5.377 0.580 1.00 13.52 H new ATOM 0 HG13 VAL A 109 2.005 7.048 0.085 1.00 13.52 H new ATOM 0 HG21 VAL A 109 4.276 6.291 -1.862 1.00 52.23 H new ATOM 0 HG22 VAL A 109 4.397 7.613 -0.677 1.00 52.23 H new ATOM 0 HG23 VAL A 109 5.612 6.313 -0.687 1.00 52.23 H new ATOM 1793 N ALA A 110 6.420 5.544 2.005 1.00 34.43 N ATOM 1794 CA ALA A 110 7.853 5.794 2.086 1.00 1.44 C ATOM 1795 C ALA A 110 8.572 5.281 0.843 1.00 32.53 C ATOM 1796 O ALA A 110 8.630 4.075 0.602 1.00 45.03 O ATOM 1797 CB ALA A 110 8.432 5.148 3.337 1.00 21.53 C ATOM 0 H ALA A 110 6.143 4.594 2.254 1.00 34.43 H new ATOM 0 HA ALA A 110 8.005 6.872 2.143 1.00 1.44 H new ATOM 0 HB1 ALA A 110 9.503 5.343 3.385 1.00 21.53 H new ATOM 0 HB2 ALA A 110 7.948 5.566 4.220 1.00 21.53 H new ATOM 0 HB3 ALA A 110 8.260 4.072 3.304 1.00 21.53 H new ATOM 1803 N CYS A 111 9.115 6.203 0.056 1.00 13.01 N ATOM 1804 CA CYS A 111 9.828 5.845 -1.164 1.00 12.11 C ATOM 1805 C CYS A 111 11.314 5.637 -0.884 1.00 33.32 C ATOM 1806 O CYS A 111 11.950 6.451 -0.213 1.00 54.22 O ATOM 1807 CB CYS A 111 9.645 6.932 -2.225 1.00 14.32 C ATOM 1808 SG CYS A 111 8.207 6.673 -3.313 1.00 52.44 S ATOM 0 H CYS A 111 9.075 7.205 0.242 1.00 13.01 H new ATOM 0 HA CYS A 111 9.412 4.909 -1.537 1.00 12.11 H new ATOM 0 HB2 CYS A 111 9.542 7.897 -1.728 1.00 14.32 H new ATOM 0 HB3 CYS A 111 10.546 6.983 -2.837 1.00 14.32 H new ATOM 1813 N ASP A 112 11.860 4.543 -1.401 1.00 30.41 N ATOM 1814 CA ASP A 112 13.271 4.228 -1.209 1.00 25.23 C ATOM 1815 C ASP A 112 13.919 3.813 -2.527 1.00 4.44 C ATOM 1816 O ASP A 112 13.232 3.478 -3.489 1.00 73.11 O ATOM 1817 CB ASP A 112 13.430 3.112 -0.174 1.00 73.04 C ATOM 1818 CG ASP A 112 14.733 3.217 0.594 1.00 61.30 C ATOM 1819 OD1 ASP A 112 15.179 4.354 0.852 1.00 22.00 O ATOM 1820 OD2 ASP A 112 15.306 2.162 0.937 1.00 20.43 O ATOM 0 H ASP A 112 11.347 3.859 -1.957 1.00 30.41 H new ATOM 0 HA ASP A 112 13.772 5.125 -0.845 1.00 25.23 H new ATOM 0 HB2 ASP A 112 12.595 3.148 0.526 1.00 73.04 H new ATOM 0 HB3 ASP A 112 13.384 2.146 -0.676 1.00 73.04 H new ATOM 1825 N ASN A 113 15.248 3.841 -2.560 1.00 22.24 N ATOM 1826 CA ASN A 113 15.991 3.469 -3.759 1.00 35.04 C ATOM 1827 C ASN A 113 15.591 2.077 -4.237 1.00 22.43 C ATOM 1828 O ASN A 113 15.666 1.105 -3.483 1.00 73.12 O ATOM 1829 CB ASN A 113 17.495 3.515 -3.488 1.00 10.42 C ATOM 1830 CG ASN A 113 18.050 4.926 -3.543 1.00 74.20 C ATOM 1831 OD1 ASN A 113 18.109 5.621 -2.529 1.00 2.35 O ATOM 1832 ND2 ASN A 113 18.458 5.355 -4.732 1.00 20.13 N ATOM 0 H ASN A 113 15.832 4.117 -1.771 1.00 22.24 H new ATOM 0 HA ASN A 113 15.749 4.186 -4.543 1.00 35.04 H new ATOM 0 HB2 ASN A 113 17.698 3.086 -2.507 1.00 10.42 H new ATOM 0 HB3 ASN A 113 18.012 2.895 -4.220 1.00 10.42 H new ATOM 0 HD21 ASN A 113 18.839 6.296 -4.831 1.00 20.13 H new ATOM 0 HD22 ASN A 113 18.390 4.744 -5.546 1.00 20.13 H new ATOM 1839 N ARG A 114 15.166 1.987 -5.493 1.00 64.24 N ATOM 1840 CA ARG A 114 14.755 0.713 -6.071 1.00 3.02 C ATOM 1841 C ARG A 114 15.727 0.270 -7.161 1.00 40.52 C ATOM 1842 O ARG A 114 16.669 0.991 -7.496 1.00 31.32 O ATOM 1843 CB ARG A 114 13.342 0.823 -6.648 1.00 5.53 C ATOM 1844 CG ARG A 114 13.198 1.906 -7.704 1.00 3.40 C ATOM 1845 CD ARG A 114 13.518 1.376 -9.093 1.00 0.11 C ATOM 1846 NE ARG A 114 13.771 2.453 -10.046 1.00 2.43 N ATOM 1847 CZ ARG A 114 14.963 3.013 -10.223 1.00 33.33 C ATOM 1848 NH1 ARG A 114 16.005 2.598 -9.516 1.00 10.30 N ATOM 1849 NH2 ARG A 114 15.114 3.988 -11.109 1.00 74.23 N ATOM 0 H ARG A 114 15.097 2.781 -6.130 1.00 64.24 H new ATOM 0 HA ARG A 114 14.760 -0.035 -5.278 1.00 3.02 H new ATOM 0 HB2 ARG A 114 13.061 -0.136 -7.083 1.00 5.53 H new ATOM 0 HB3 ARG A 114 12.642 1.023 -5.837 1.00 5.53 H new ATOM 0 HG2 ARG A 114 12.181 2.298 -7.688 1.00 3.40 H new ATOM 0 HG3 ARG A 114 13.863 2.736 -7.468 1.00 3.40 H new ATOM 0 HD2 ARG A 114 14.392 0.726 -9.040 1.00 0.11 H new ATOM 0 HD3 ARG A 114 12.688 0.766 -9.448 1.00 0.11 H new ATOM 0 HE ARG A 114 12.990 2.794 -10.606 1.00 2.43 H new ATOM 0 HH11 ARG A 114 15.893 1.847 -8.835 1.00 10.30 H new ATOM 0 HH12 ARG A 114 16.919 3.029 -9.654 1.00 10.30 H new ATOM 0 HH21 ARG A 114 14.315 4.309 -11.655 1.00 74.23 H new ATOM 0 HH22 ARG A 114 16.029 4.417 -11.244 1.00 74.23 H new ATOM 1863 N ASP A 115 15.493 -0.917 -7.709 1.00 2.21 N ATOM 1864 CA ASP A 115 16.348 -1.455 -8.761 1.00 14.24 C ATOM 1865 C ASP A 115 15.926 -0.925 -10.128 1.00 32.41 C ATOM 1866 O ASP A 115 14.744 -0.899 -10.473 1.00 21.03 O ATOM 1867 CB ASP A 115 16.299 -2.983 -8.754 1.00 70.33 C ATOM 1868 CG ASP A 115 17.600 -3.606 -9.224 1.00 52.04 C ATOM 1869 OD1 ASP A 115 17.898 -3.512 -10.434 1.00 4.04 O ATOM 1870 OD2 ASP A 115 18.317 -4.188 -8.384 1.00 41.41 O ATOM 0 H ASP A 115 14.719 -1.525 -7.442 1.00 2.21 H new ATOM 0 HA ASP A 115 17.371 -1.131 -8.567 1.00 14.24 H new ATOM 0 HB2 ASP A 115 16.076 -3.332 -7.746 1.00 70.33 H new ATOM 0 HB3 ASP A 115 15.485 -3.321 -9.396 1.00 70.33 H new ATOM 1875 N PRO A 116 16.912 -0.492 -10.926 1.00 3.54 N ATOM 1876 CA PRO A 116 16.668 0.045 -12.267 1.00 75.22 C ATOM 1877 C PRO A 116 16.214 -1.030 -13.248 1.00 64.44 C ATOM 1878 O PRO A 116 16.030 -0.762 -14.437 1.00 2.15 O ATOM 1879 CB PRO A 116 18.031 0.605 -12.680 1.00 5.14 C ATOM 1880 CG PRO A 116 19.019 -0.180 -11.886 1.00 70.15 C ATOM 1881 CD PRO A 116 18.344 -0.494 -10.579 1.00 53.25 C ATOM 0 HA PRO A 116 15.870 0.787 -12.269 1.00 75.22 H new ATOM 0 HB2 PRO A 116 18.200 0.487 -13.750 1.00 5.14 H new ATOM 0 HB3 PRO A 116 18.104 1.670 -12.461 1.00 5.14 H new ATOM 0 HG2 PRO A 116 19.302 -1.094 -12.409 1.00 70.15 H new ATOM 0 HG3 PRO A 116 19.933 0.392 -11.726 1.00 70.15 H new ATOM 0 HD2 PRO A 116 18.661 -1.460 -10.185 1.00 53.25 H new ATOM 0 HD3 PRO A 116 18.574 0.252 -9.818 1.00 53.25 H new ATOM 1889 N ARG A 117 16.036 -2.247 -12.745 1.00 45.22 N ATOM 1890 CA ARG A 117 15.605 -3.363 -13.578 1.00 44.42 C ATOM 1891 C ARG A 117 14.087 -3.506 -13.552 1.00 33.11 C ATOM 1892 O ARG A 117 13.513 -4.284 -14.315 1.00 14.35 O ATOM 1893 CB ARG A 117 16.259 -4.663 -13.105 1.00 75.21 C ATOM 1894 CG ARG A 117 15.665 -5.208 -11.816 1.00 32.32 C ATOM 1895 CD ARG A 117 15.739 -6.726 -11.768 1.00 24.12 C ATOM 1896 NE ARG A 117 15.546 -7.241 -10.415 1.00 13.14 N ATOM 1897 CZ ARG A 117 15.714 -8.516 -10.082 1.00 41.33 C ATOM 1898 NH1 ARG A 117 16.079 -9.401 -10.999 1.00 44.32 N ATOM 1899 NH2 ARG A 117 15.519 -8.907 -8.830 1.00 2.11 N ATOM 0 H ARG A 117 16.184 -2.485 -11.764 1.00 45.22 H new ATOM 0 HA ARG A 117 15.916 -3.160 -14.603 1.00 44.42 H new ATOM 0 HB2 ARG A 117 16.160 -5.415 -13.887 1.00 75.21 H new ATOM 0 HB3 ARG A 117 17.326 -4.492 -12.960 1.00 75.21 H new ATOM 0 HG2 ARG A 117 16.198 -4.789 -10.963 1.00 32.32 H new ATOM 0 HG3 ARG A 117 14.626 -4.890 -11.730 1.00 32.32 H new ATOM 0 HD2 ARG A 117 14.980 -7.147 -12.428 1.00 24.12 H new ATOM 0 HD3 ARG A 117 16.707 -7.054 -12.146 1.00 24.12 H new ATOM 0 HE ARG A 117 15.267 -6.585 -9.685 1.00 13.14 H new ATOM 0 HH11 ARG A 117 16.231 -9.104 -11.963 1.00 44.32 H new ATOM 0 HH12 ARG A 117 16.207 -10.379 -10.741 1.00 44.32 H new ATOM 0 HH21 ARG A 117 15.240 -8.229 -8.121 1.00 2.11 H new ATOM 0 HH22 ARG A 117 15.648 -9.886 -8.576 1.00 2.11 H new ATOM 1913 N ASP A 118 13.441 -2.750 -12.670 1.00 4.31 N ATOM 1914 CA ASP A 118 11.989 -2.791 -12.545 1.00 30.25 C ATOM 1915 C ASP A 118 11.370 -1.456 -12.945 1.00 44.15 C ATOM 1916 O ASP A 118 10.414 -1.411 -13.720 1.00 15.41 O ATOM 1917 CB ASP A 118 11.589 -3.143 -11.111 1.00 22.33 C ATOM 1918 CG ASP A 118 11.434 -4.636 -10.903 1.00 72.51 C ATOM 1919 OD1 ASP A 118 12.460 -5.316 -10.691 1.00 72.15 O ATOM 1920 OD2 ASP A 118 10.286 -5.126 -10.951 1.00 74.23 O ATOM 0 H ASP A 118 13.901 -2.101 -12.031 1.00 4.31 H new ATOM 0 HA ASP A 118 11.613 -3.561 -13.219 1.00 30.25 H new ATOM 0 HB2 ASP A 118 12.342 -2.759 -10.422 1.00 22.33 H new ATOM 0 HB3 ASP A 118 10.650 -2.646 -10.866 1.00 22.33 H new ATOM 1925 N SER A 119 11.923 -0.370 -12.413 1.00 62.31 N ATOM 1926 CA SER A 119 11.422 0.966 -12.712 1.00 53.43 C ATOM 1927 C SER A 119 12.556 1.883 -13.159 1.00 51.51 C ATOM 1928 O SER A 119 13.103 2.662 -12.377 1.00 54.45 O ATOM 1929 CB SER A 119 10.725 1.558 -11.485 1.00 0.20 C ATOM 1930 OG SER A 119 10.106 2.795 -11.798 1.00 23.55 O ATOM 0 H SER A 119 12.717 -0.390 -11.773 1.00 62.31 H new ATOM 0 HA SER A 119 10.702 0.884 -13.526 1.00 53.43 H new ATOM 0 HB2 SER A 119 9.977 0.857 -11.114 1.00 0.20 H new ATOM 0 HB3 SER A 119 11.451 1.703 -10.685 1.00 0.20 H new ATOM 0 HG SER A 119 9.237 2.849 -11.348 1.00 23.55 H new ATOM 1936 N PRO A 120 12.919 1.791 -14.447 1.00 12.42 N ATOM 1937 CA PRO A 120 13.990 2.605 -15.028 1.00 64.32 C ATOM 1938 C PRO A 120 13.604 4.076 -15.141 1.00 4.32 C ATOM 1939 O PRO A 120 14.453 4.961 -15.024 1.00 30.23 O ATOM 1940 CB PRO A 120 14.185 1.995 -16.418 1.00 75.53 C ATOM 1941 CG PRO A 120 12.873 1.366 -16.743 1.00 0.03 C ATOM 1942 CD PRO A 120 12.310 0.884 -15.435 1.00 54.52 C ATOM 0 HA PRO A 120 14.890 2.594 -14.413 1.00 64.32 H new ATOM 0 HB2 PRO A 120 14.451 2.757 -17.151 1.00 75.53 H new ATOM 0 HB3 PRO A 120 14.988 1.258 -16.418 1.00 75.53 H new ATOM 0 HG2 PRO A 120 12.203 2.084 -17.216 1.00 0.03 H new ATOM 0 HG3 PRO A 120 12.999 0.539 -17.442 1.00 0.03 H new ATOM 0 HD2 PRO A 120 11.222 0.945 -15.419 1.00 54.52 H new ATOM 0 HD3 PRO A 120 12.574 -0.156 -15.242 1.00 54.52 H new ATOM 1950 N ARG A 121 12.320 4.330 -15.369 1.00 4.23 N ATOM 1951 CA ARG A 121 11.823 5.694 -15.498 1.00 3.40 C ATOM 1952 C ARG A 121 11.820 6.402 -14.147 1.00 14.11 C ATOM 1953 O ARG A 121 12.330 7.515 -14.016 1.00 3.23 O ATOM 1954 CB ARG A 121 10.411 5.692 -16.088 1.00 65.40 C ATOM 1955 CG ARG A 121 9.609 4.449 -15.741 1.00 15.33 C ATOM 1956 CD ARG A 121 9.781 3.362 -16.790 1.00 1.32 C ATOM 1957 NE ARG A 121 8.779 3.459 -17.847 1.00 33.44 N ATOM 1958 CZ ARG A 121 8.560 2.502 -18.742 1.00 25.11 C ATOM 1959 NH1 ARG A 121 9.270 1.382 -18.707 1.00 12.14 N ATOM 1960 NH2 ARG A 121 7.630 2.663 -19.674 1.00 20.40 N ATOM 0 H ARG A 121 11.605 3.609 -15.468 1.00 4.23 H new ATOM 0 HA ARG A 121 12.490 6.234 -16.170 1.00 3.40 H new ATOM 0 HB2 ARG A 121 9.875 6.571 -15.730 1.00 65.40 H new ATOM 0 HB3 ARG A 121 10.479 5.779 -17.172 1.00 65.40 H new ATOM 0 HG2 ARG A 121 9.925 4.071 -14.769 1.00 15.33 H new ATOM 0 HG3 ARG A 121 8.554 4.708 -15.654 1.00 15.33 H new ATOM 0 HD2 ARG A 121 10.777 3.434 -17.227 1.00 1.32 H new ATOM 0 HD3 ARG A 121 9.712 2.384 -16.314 1.00 1.32 H new ATOM 0 HE ARG A 121 8.216 4.308 -17.901 1.00 33.44 H new ATOM 0 HH11 ARG A 121 9.986 1.254 -17.992 1.00 12.14 H new ATOM 0 HH12 ARG A 121 9.100 0.649 -19.395 1.00 12.14 H new ATOM 0 HH21 ARG A 121 7.082 3.523 -19.704 1.00 20.40 H new ATOM 0 HH22 ARG A 121 7.463 1.927 -20.360 1.00 20.40 H new ATOM 1974 N TYR A 122 11.241 5.751 -13.145 1.00 31.32 N ATOM 1975 CA TYR A 122 11.168 6.319 -11.804 1.00 72.20 C ATOM 1976 C TYR A 122 12.356 5.872 -10.957 1.00 71.04 C ATOM 1977 O TYR A 122 12.665 4.684 -10.852 1.00 51.41 O ATOM 1978 CB TYR A 122 9.860 5.908 -11.124 1.00 62.01 C ATOM 1979 CG TYR A 122 8.643 6.064 -12.007 1.00 50.54 C ATOM 1980 CD1 TYR A 122 8.321 5.102 -12.956 1.00 60.42 C ATOM 1981 CD2 TYR A 122 7.816 7.175 -11.893 1.00 42.35 C ATOM 1982 CE1 TYR A 122 7.211 5.241 -13.766 1.00 31.42 C ATOM 1983 CE2 TYR A 122 6.703 7.321 -12.698 1.00 73.13 C ATOM 1984 CZ TYR A 122 6.404 6.352 -13.633 1.00 5.51 C ATOM 1985 OH TYR A 122 5.297 6.495 -14.437 1.00 51.21 O ATOM 0 H TYR A 122 10.815 4.829 -13.236 1.00 31.32 H new ATOM 0 HA TYR A 122 11.198 7.405 -11.895 1.00 72.20 H new ATOM 0 HB2 TYR A 122 9.937 4.868 -10.806 1.00 62.01 H new ATOM 0 HB3 TYR A 122 9.724 6.507 -10.224 1.00 62.01 H new ATOM 0 HD1 TYR A 122 8.950 4.230 -13.062 1.00 60.42 H new ATOM 0 HD2 TYR A 122 8.047 7.937 -11.163 1.00 42.35 H new ATOM 0 HE1 TYR A 122 6.976 4.484 -14.500 1.00 31.42 H new ATOM 0 HE2 TYR A 122 6.070 8.190 -12.596 1.00 73.13 H new ATOM 0 HH TYR A 122 4.837 7.331 -14.215 1.00 51.21 H new ATOM 1995 N PRO A 123 13.040 6.846 -10.339 1.00 2.21 N ATOM 1996 CA PRO A 123 14.205 6.579 -9.489 1.00 74.31 C ATOM 1997 C PRO A 123 13.825 5.884 -8.187 1.00 21.52 C ATOM 1998 O PRO A 123 14.403 4.858 -7.827 1.00 50.21 O ATOM 1999 CB PRO A 123 14.765 7.975 -9.206 1.00 60.15 C ATOM 2000 CG PRO A 123 13.597 8.889 -9.353 1.00 10.14 C ATOM 2001 CD PRO A 123 12.728 8.282 -10.420 1.00 53.41 C ATOM 0 HA PRO A 123 14.917 5.909 -9.972 1.00 74.31 H new ATOM 0 HB2 PRO A 123 15.191 8.035 -8.205 1.00 60.15 H new ATOM 0 HB3 PRO A 123 15.560 8.232 -9.906 1.00 60.15 H new ATOM 0 HG2 PRO A 123 13.053 8.982 -8.413 1.00 10.14 H new ATOM 0 HG3 PRO A 123 13.919 9.891 -9.635 1.00 10.14 H new ATOM 0 HD2 PRO A 123 11.671 8.474 -10.235 1.00 53.41 H new ATOM 0 HD3 PRO A 123 12.958 8.688 -11.405 1.00 53.41 H new ATOM 2009 N VAL A 124 12.849 6.447 -7.483 1.00 34.04 N ATOM 2010 CA VAL A 124 12.390 5.880 -6.221 1.00 21.22 C ATOM 2011 C VAL A 124 10.973 5.332 -6.346 1.00 64.05 C ATOM 2012 O VAL A 124 10.229 5.708 -7.252 1.00 15.13 O ATOM 2013 CB VAL A 124 12.426 6.925 -5.090 1.00 4.44 C ATOM 2014 CG1 VAL A 124 11.127 7.715 -5.051 1.00 51.34 C ATOM 2015 CG2 VAL A 124 12.691 6.253 -3.751 1.00 35.32 C ATOM 0 H VAL A 124 12.360 7.296 -7.766 1.00 34.04 H new ATOM 0 HA VAL A 124 13.071 5.065 -5.975 1.00 21.22 H new ATOM 0 HB VAL A 124 13.241 7.621 -5.289 1.00 4.44 H new ATOM 0 HG11 VAL A 124 11.171 8.448 -4.246 1.00 51.34 H new ATOM 0 HG12 VAL A 124 10.985 8.228 -6.002 1.00 51.34 H new ATOM 0 HG13 VAL A 124 10.293 7.035 -4.877 1.00 51.34 H new ATOM 0 HG21 VAL A 124 12.713 7.007 -2.964 1.00 35.32 H new ATOM 0 HG22 VAL A 124 11.900 5.533 -3.542 1.00 35.32 H new ATOM 0 HG23 VAL A 124 13.651 5.737 -3.786 1.00 35.32 H new ATOM 2025 N VAL A 125 10.606 4.440 -5.432 1.00 31.14 N ATOM 2026 CA VAL A 125 9.277 3.841 -5.438 1.00 62.41 C ATOM 2027 C VAL A 125 8.799 3.545 -4.021 1.00 42.54 C ATOM 2028 O VAL A 125 9.593 3.353 -3.100 1.00 20.04 O ATOM 2029 CB VAL A 125 9.254 2.536 -6.258 1.00 0.21 C ATOM 2030 CG1 VAL A 125 9.403 2.836 -7.742 1.00 34.32 C ATOM 2031 CG2 VAL A 125 10.347 1.591 -5.784 1.00 70.03 C ATOM 0 H VAL A 125 11.211 4.116 -4.677 1.00 31.14 H new ATOM 0 HA VAL A 125 8.606 4.565 -5.900 1.00 62.41 H new ATOM 0 HB VAL A 125 8.292 2.047 -6.106 1.00 0.21 H new ATOM 0 HG11 VAL A 125 9.385 1.903 -8.305 1.00 34.32 H new ATOM 0 HG12 VAL A 125 8.581 3.473 -8.069 1.00 34.32 H new ATOM 0 HG13 VAL A 125 10.350 3.347 -7.917 1.00 34.32 H new ATOM 0 HG21 VAL A 125 10.317 0.675 -6.373 1.00 70.03 H new ATOM 0 HG22 VAL A 125 11.319 2.069 -5.906 1.00 70.03 H new ATOM 0 HG23 VAL A 125 10.190 1.351 -4.732 1.00 70.03 H new ATOM 2041 N PRO A 126 7.472 3.509 -3.840 1.00 34.23 N ATOM 2042 CA PRO A 126 6.857 3.236 -2.537 1.00 43.21 C ATOM 2043 C PRO A 126 7.057 1.791 -2.092 1.00 41.34 C ATOM 2044 O PRO A 126 6.664 0.857 -2.790 1.00 33.02 O ATOM 2045 CB PRO A 126 5.373 3.521 -2.777 1.00 50.23 C ATOM 2046 CG PRO A 126 5.179 3.309 -4.240 1.00 12.45 C ATOM 2047 CD PRO A 126 6.466 3.728 -4.893 1.00 72.15 C ATOM 0 HA PRO A 126 7.298 3.841 -1.745 1.00 43.21 H new ATOM 0 HB2 PRO A 126 4.742 2.852 -2.193 1.00 50.23 H new ATOM 0 HB3 PRO A 126 5.113 4.539 -2.486 1.00 50.23 H new ATOM 0 HG2 PRO A 126 4.953 2.265 -4.456 1.00 12.45 H new ATOM 0 HG3 PRO A 126 4.342 3.900 -4.612 1.00 12.45 H new ATOM 0 HD2 PRO A 126 6.678 3.133 -5.781 1.00 72.15 H new ATOM 0 HD3 PRO A 126 6.435 4.771 -5.208 1.00 72.15 H new ATOM 2055 N VAL A 127 7.670 1.615 -0.926 1.00 24.30 N ATOM 2056 CA VAL A 127 7.921 0.284 -0.388 1.00 63.11 C ATOM 2057 C VAL A 127 7.393 0.159 1.037 1.00 60.41 C ATOM 2058 O VAL A 127 7.706 -0.800 1.744 1.00 73.51 O ATOM 2059 CB VAL A 127 9.424 -0.052 -0.398 1.00 63.32 C ATOM 2060 CG1 VAL A 127 9.956 -0.081 -1.822 1.00 70.33 C ATOM 2061 CG2 VAL A 127 10.198 0.947 0.449 1.00 64.04 C ATOM 0 H VAL A 127 8.002 2.378 -0.336 1.00 24.30 H new ATOM 0 HA VAL A 127 7.395 -0.421 -1.031 1.00 63.11 H new ATOM 0 HB VAL A 127 9.560 -1.043 0.034 1.00 63.32 H new ATOM 0 HG11 VAL A 127 11.019 -0.320 -1.808 1.00 70.33 H new ATOM 0 HG12 VAL A 127 9.421 -0.839 -2.395 1.00 70.33 H new ATOM 0 HG13 VAL A 127 9.809 0.895 -2.285 1.00 70.33 H new ATOM 0 HG21 VAL A 127 11.258 0.695 0.431 1.00 64.04 H new ATOM 0 HG22 VAL A 127 10.057 1.951 0.048 1.00 64.04 H new ATOM 0 HG23 VAL A 127 9.834 0.912 1.476 1.00 64.04 H new ATOM 2071 N HIS A 128 6.591 1.133 1.452 1.00 34.21 N ATOM 2072 CA HIS A 128 6.017 1.132 2.794 1.00 45.11 C ATOM 2073 C HIS A 128 4.874 2.137 2.896 1.00 24.42 C ATOM 2074 O HIS A 128 4.964 3.251 2.379 1.00 11.21 O ATOM 2075 CB HIS A 128 7.092 1.457 3.831 1.00 23.21 C ATOM 2076 CG HIS A 128 6.538 1.904 5.149 1.00 74.25 C ATOM 2077 ND1 HIS A 128 6.748 1.217 6.325 1.00 31.12 N ATOM 2078 CD2 HIS A 128 5.779 2.977 5.471 1.00 51.33 C ATOM 2079 CE1 HIS A 128 6.140 1.847 7.314 1.00 12.53 C ATOM 2080 NE2 HIS A 128 5.544 2.919 6.822 1.00 3.44 N ATOM 0 H HIS A 128 6.323 1.933 0.879 1.00 34.21 H new ATOM 0 HA HIS A 128 5.621 0.136 2.993 1.00 45.11 H new ATOM 0 HB2 HIS A 128 7.713 0.575 3.988 1.00 23.21 H new ATOM 0 HB3 HIS A 128 7.742 2.238 3.436 1.00 23.21 H new ATOM 0 HD2 HIS A 128 5.424 3.738 4.791 1.00 51.33 H new ATOM 0 HE1 HIS A 128 6.131 1.538 8.349 1.00 12.53 H new ATOM 0 HE2 HIS A 128 4.998 3.593 7.359 1.00 3.44 H new ATOM 2089 N LEU A 129 3.799 1.736 3.567 1.00 61.43 N ATOM 2090 CA LEU A 129 2.637 2.601 3.737 1.00 43.20 C ATOM 2091 C LEU A 129 2.315 2.794 5.215 1.00 11.51 C ATOM 2092 O LEU A 129 1.915 1.855 5.901 1.00 33.15 O ATOM 2093 CB LEU A 129 1.426 2.010 3.011 1.00 1.55 C ATOM 2094 CG LEU A 129 0.309 2.993 2.661 1.00 40.12 C ATOM 2095 CD1 LEU A 129 -0.286 3.598 3.923 1.00 34.54 C ATOM 2096 CD2 LEU A 129 0.830 4.086 1.739 1.00 33.33 C ATOM 0 H LEU A 129 3.708 0.818 4.002 1.00 61.43 H new ATOM 0 HA LEU A 129 2.872 3.574 3.305 1.00 43.20 H new ATOM 0 HB2 LEU A 129 1.773 1.542 2.090 1.00 1.55 H new ATOM 0 HB3 LEU A 129 1.005 1.219 3.632 1.00 1.55 H new ATOM 0 HG LEU A 129 -0.477 2.448 2.139 1.00 40.12 H new ATOM 0 HD11 LEU A 129 -1.079 4.295 3.653 1.00 34.54 H new ATOM 0 HD12 LEU A 129 -0.697 2.805 4.548 1.00 34.54 H new ATOM 0 HD13 LEU A 129 0.491 4.128 4.474 1.00 34.54 H new ATOM 0 HD21 LEU A 129 0.021 4.777 1.500 1.00 33.33 H new ATOM 0 HD22 LEU A 129 1.635 4.628 2.235 1.00 33.33 H new ATOM 0 HD23 LEU A 129 1.207 3.638 0.820 1.00 33.33 H new ATOM 2108 N ASP A 130 2.489 4.020 5.698 1.00 50.14 N ATOM 2109 CA ASP A 130 2.214 4.339 7.093 1.00 21.23 C ATOM 2110 C ASP A 130 0.716 4.281 7.379 1.00 3.24 C ATOM 2111 O ASP A 130 0.267 3.535 8.250 1.00 12.31 O ATOM 2112 CB ASP A 130 2.758 5.725 7.440 1.00 23.12 C ATOM 2113 CG ASP A 130 3.194 5.831 8.888 1.00 63.33 C ATOM 2114 OD1 ASP A 130 2.326 6.067 9.754 1.00 23.23 O ATOM 2115 OD2 ASP A 130 4.404 5.677 9.155 1.00 21.23 O ATOM 0 H ASP A 130 2.820 4.809 5.143 1.00 50.14 H new ATOM 0 HA ASP A 130 2.714 3.596 7.714 1.00 21.23 H new ATOM 0 HB2 ASP A 130 3.604 5.953 6.791 1.00 23.12 H new ATOM 0 HB3 ASP A 130 1.992 6.474 7.239 1.00 23.12 H new ATOM 2120 N THR A 131 -0.053 5.074 6.640 1.00 63.02 N ATOM 2121 CA THR A 131 -1.499 5.115 6.814 1.00 1.20 C ATOM 2122 C THR A 131 -2.163 5.932 5.711 1.00 32.45 C ATOM 2123 O THR A 131 -1.503 6.386 4.777 1.00 23.12 O ATOM 2124 CB THR A 131 -1.883 5.712 8.182 1.00 74.45 C ATOM 2125 OG1 THR A 131 -3.287 5.550 8.410 1.00 75.43 O ATOM 2126 CG2 THR A 131 -1.520 7.188 8.248 1.00 1.14 C ATOM 0 H THR A 131 0.302 5.697 5.915 1.00 63.02 H new ATOM 0 HA THR A 131 -1.853 4.085 6.762 1.00 1.20 H new ATOM 0 HB THR A 131 -1.327 5.182 8.955 1.00 74.45 H new ATOM 0 HG1 THR A 131 -3.523 5.930 9.282 1.00 75.43 H new ATOM 0 HG21 THR A 131 -1.800 7.588 9.222 1.00 1.14 H new ATOM 0 HG22 THR A 131 -0.446 7.305 8.102 1.00 1.14 H new ATOM 0 HG23 THR A 131 -2.053 7.729 7.466 1.00 1.14 H new ATOM 2134 N THR A 132 -3.475 6.115 5.826 1.00 12.13 N ATOM 2135 CA THR A 132 -4.229 6.877 4.838 1.00 5.24 C ATOM 2136 C THR A 132 -5.132 7.905 5.509 1.00 12.45 C ATOM 2137 O THR A 132 -6.091 7.548 6.194 1.00 14.32 O ATOM 2138 CB THR A 132 -5.089 5.954 3.954 1.00 62.44 C ATOM 2139 OG1 THR A 132 -5.583 4.855 4.728 1.00 55.33 O ATOM 2140 CG2 THR A 132 -4.282 5.428 2.776 1.00 50.42 C ATOM 0 H THR A 132 -4.037 5.746 6.593 1.00 12.13 H new ATOM 0 HA THR A 132 -3.500 7.392 4.212 1.00 5.24 H new ATOM 0 HB THR A 132 -5.928 6.534 3.570 1.00 62.44 H new ATOM 0 HG1 THR A 132 -6.523 4.693 4.504 1.00 55.33 H new ATOM 0 HG21 THR A 132 -4.910 4.779 2.166 1.00 50.42 H new ATOM 0 HG22 THR A 132 -3.931 6.265 2.172 1.00 50.42 H new ATOM 0 HG23 THR A 132 -3.426 4.863 3.145 1.00 50.42 H new ATOM 2148 N ILE A 133 -4.820 9.181 5.307 1.00 13.02 N ATOM 2149 CA ILE A 133 -5.607 10.261 5.892 1.00 24.24 C ATOM 2150 C ILE A 133 -5.272 11.598 5.242 1.00 74.54 C ATOM 2151 O ILE A 133 -4.120 11.866 4.905 1.00 44.44 O ATOM 2152 CB ILE A 133 -5.372 10.368 7.410 1.00 54.30 C ATOM 2153 CG1 ILE A 133 -6.257 11.464 8.008 1.00 54.51 C ATOM 2154 CG2 ILE A 133 -3.905 10.646 7.702 1.00 13.50 C ATOM 2155 CD1 ILE A 133 -5.821 12.864 7.634 1.00 23.53 C ATOM 0 H ILE A 133 -4.029 9.492 4.743 1.00 13.02 H new ATOM 0 HA ILE A 133 -6.655 10.024 5.710 1.00 24.24 H new ATOM 0 HB ILE A 133 -5.639 9.418 7.872 1.00 54.30 H new ATOM 0 HG12 ILE A 133 -7.284 11.311 7.677 1.00 54.51 H new ATOM 0 HG13 ILE A 133 -6.255 11.369 9.094 1.00 54.51 H new ATOM 0 HG21 ILE A 133 -3.756 10.719 8.779 1.00 13.50 H new ATOM 0 HG22 ILE A 133 -3.295 9.835 7.305 1.00 13.50 H new ATOM 0 HG23 ILE A 133 -3.612 11.584 7.231 1.00 13.50 H new ATOM 0 HD11 ILE A 133 -6.493 13.589 8.093 1.00 23.53 H new ATOM 0 HD12 ILE A 133 -4.805 13.036 7.989 1.00 23.53 H new ATOM 0 HD13 ILE A 133 -5.850 12.977 6.550 1.00 23.53 H new