USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 989 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 70 THR OG1 : rot 135:sc= 0.0129 USER MOD Set 1.2: A 72 GLN : amide:sc=0.000782 X(o=0.014,f=-0.023) USER MOD Set 2.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 13 THR OG1 : rot 40:sc= -1.02! USER MOD Set 4.2: A 17 ASN : amide:sc= -0.37 K(o=-1.4,f=-8.3!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.65) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.293) USER MOD Single : A 12 SER OG : rot 170:sc= -0.207 USER MOD Single : A 16 ASN : amide:sc= -0.0293 X(o=-0.029,f=-0.25) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.372 K(o=-0.37,f=-1.6!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -108:sc= -0.449 (180deg=-1.85!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -47:sc= 0.266 USER MOD Single : A 30 ASN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 31 CYS SG : rot -50:sc= -1.32 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0.84 (180deg=0.604) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.52) USER MOD Single : A 40 SER OG : rot 4:sc= 1.11 USER MOD Single : A 46 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.51) USER MOD Single : A 50 ASN : amide:sc= -1.57 K(o=-1.6,f=-3.7!) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.843 K(o=-0.84,f=-4.3!) USER MOD Single : A 83 SER OG : rot 180:sc= -2.54! USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 87 GLN : amide:sc= -0.0585 K(o=-0.058,f=-0.9) USER MOD Single : A 90 SER OG : rot 170:sc= -0.136 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.754 X(o=-0.75,f=-0.65) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0411) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0587) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 4.834 4.078 -5.738 1.00 22.40 N ATOM 2 CA GLN A 1 3.657 4.736 -5.184 1.00 20.10 C ATOM 3 C GLN A 1 4.014 6.109 -4.624 1.00 20.20 C ATOM 4 O GLN A 1 4.628 6.217 -3.562 1.00 74.43 O ATOM 5 CB GLN A 1 3.032 3.872 -4.088 1.00 31.44 C ATOM 6 CG GLN A 1 1.963 2.919 -4.599 1.00 2.10 C ATOM 7 CD GLN A 1 2.014 1.565 -3.919 1.00 2.32 C ATOM 8 OE1 GLN A 1 3.001 0.837 -4.032 1.00 51.43 O ATOM 9 NE2 GLN A 1 0.948 1.220 -3.206 1.00 62.12 N ATOM 0 H1 GLN A 1 4.566 3.146 -6.113 1.00 22.40 H new ATOM 0 H2 GLN A 1 5.228 4.659 -6.505 1.00 22.40 H new ATOM 0 H3 GLN A 1 5.549 3.959 -4.992 1.00 22.40 H new ATOM 0 HA GLN A 1 2.934 4.869 -5.989 1.00 20.10 H new ATOM 0 HB2 GLN A 1 3.817 3.295 -3.600 1.00 31.44 H new ATOM 0 HB3 GLN A 1 2.595 4.522 -3.330 1.00 31.44 H new ATOM 0 HG2 GLN A 1 0.980 3.363 -4.442 1.00 2.10 H new ATOM 0 HG3 GLN A 1 2.084 2.786 -5.674 1.00 2.10 H new ATOM 0 HE21 GLN A 1 0.152 1.854 -3.139 1.00 62.12 H new ATOM 0 HE22 GLN A 1 0.925 0.321 -2.725 1.00 62.12 H new ATOM 18 N SER A 2 3.626 7.156 -5.345 1.00 62.22 N ATOM 19 CA SER A 2 3.909 8.522 -4.922 1.00 41.43 C ATOM 20 C SER A 2 2.698 9.138 -4.228 1.00 22.25 C ATOM 21 O SER A 2 2.331 10.283 -4.493 1.00 74.03 O ATOM 22 CB SER A 2 4.311 9.378 -6.125 1.00 53.22 C ATOM 23 OG SER A 2 5.209 10.405 -5.743 1.00 44.02 O ATOM 0 H SER A 2 3.115 7.084 -6.225 1.00 62.22 H new ATOM 0 HA SER A 2 4.736 8.492 -4.213 1.00 41.43 H new ATOM 0 HB2 SER A 2 4.775 8.749 -6.884 1.00 53.22 H new ATOM 0 HB3 SER A 2 3.421 9.818 -6.576 1.00 53.22 H new ATOM 0 HG SER A 2 5.452 10.937 -6.530 1.00 44.02 H new ATOM 29 N LEU A 3 2.082 8.369 -3.336 1.00 50.41 N ATOM 30 CA LEU A 3 0.912 8.837 -2.602 1.00 13.54 C ATOM 31 C LEU A 3 -0.307 8.922 -3.515 1.00 62.12 C ATOM 32 O LEU A 3 -1.257 8.154 -3.372 1.00 23.52 O ATOM 33 CB LEU A 3 1.191 10.206 -1.977 1.00 33.41 C ATOM 34 CG LEU A 3 2.585 10.399 -1.380 1.00 1.11 C ATOM 35 CD1 LEU A 3 2.677 11.736 -0.660 1.00 71.42 C ATOM 36 CD2 LEU A 3 2.923 9.257 -0.433 1.00 31.13 C ATOM 0 H LEU A 3 2.373 7.419 -3.104 1.00 50.41 H new ATOM 0 HA LEU A 3 0.700 8.119 -1.810 1.00 13.54 H new ATOM 0 HB2 LEU A 3 1.035 10.970 -2.739 1.00 33.41 H new ATOM 0 HB3 LEU A 3 0.454 10.382 -1.193 1.00 33.41 H new ATOM 0 HG LEU A 3 3.311 10.397 -2.193 1.00 1.11 H new ATOM 0 HD11 LEU A 3 3.676 11.856 -0.242 1.00 71.42 H new ATOM 0 HD12 LEU A 3 2.480 12.543 -1.365 1.00 71.42 H new ATOM 0 HD13 LEU A 3 1.941 11.768 0.143 1.00 71.42 H new ATOM 0 HD21 LEU A 3 3.919 9.411 -0.018 1.00 31.13 H new ATOM 0 HD22 LEU A 3 2.193 9.227 0.376 1.00 31.13 H new ATOM 0 HD23 LEU A 3 2.899 8.313 -0.978 1.00 31.13 H new ATOM 48 N ASN A 4 -0.271 9.860 -4.456 1.00 64.11 N ATOM 49 CA ASN A 4 -1.372 10.044 -5.395 1.00 25.31 C ATOM 50 C ASN A 4 -0.984 9.560 -6.789 1.00 32.41 C ATOM 51 O ASN A 4 0.194 9.449 -7.130 1.00 33.13 O ATOM 52 CB ASN A 4 -1.782 11.517 -5.450 1.00 22.41 C ATOM 53 CG ASN A 4 -0.594 12.452 -5.338 1.00 44.32 C ATOM 54 OD1 ASN A 4 -0.335 13.021 -4.278 1.00 10.25 O ATOM 55 ND2 ASN A 4 0.136 12.616 -6.436 1.00 34.01 N ATOM 0 H ASN A 4 0.508 10.504 -4.589 1.00 64.11 H new ATOM 0 HA ASN A 4 -2.218 9.451 -5.046 1.00 25.31 H new ATOM 0 HB2 ASN A 4 -2.306 11.711 -6.386 1.00 22.41 H new ATOM 0 HB3 ASN A 4 -2.483 11.727 -4.642 1.00 22.41 H new ATOM 0 HD21 ASN A 4 0.948 13.234 -6.421 1.00 34.01 H new ATOM 0 HD22 ASN A 4 -0.115 12.124 -7.294 1.00 34.01 H new ATOM 62 N PRO A 5 -1.998 9.265 -7.616 1.00 33.52 N ATOM 63 CA PRO A 5 -1.789 8.789 -8.986 1.00 73.25 C ATOM 64 C PRO A 5 -1.233 9.876 -9.899 1.00 44.30 C ATOM 65 O PRO A 5 -0.531 9.588 -10.868 1.00 32.50 O ATOM 66 CB PRO A 5 -3.193 8.379 -9.438 1.00 14.13 C ATOM 67 CG PRO A 5 -4.114 9.200 -8.603 1.00 33.04 C ATOM 68 CD PRO A 5 -3.427 9.373 -7.276 1.00 51.13 C ATOM 0 HA PRO A 5 -1.059 7.980 -9.029 1.00 73.25 H new ATOM 0 HB2 PRO A 5 -3.340 8.575 -10.500 1.00 14.13 H new ATOM 0 HB3 PRO A 5 -3.363 7.313 -9.284 1.00 14.13 H new ATOM 0 HG2 PRO A 5 -4.309 10.165 -9.070 1.00 33.04 H new ATOM 0 HG3 PRO A 5 -5.077 8.704 -8.482 1.00 33.04 H new ATOM 0 HD2 PRO A 5 -3.661 10.337 -6.825 1.00 51.13 H new ATOM 0 HD3 PRO A 5 -3.730 8.606 -6.563 1.00 51.13 H new ATOM 76 N ALA A 6 -1.550 11.127 -9.582 1.00 43.54 N ATOM 77 CA ALA A 6 -1.079 12.258 -10.373 1.00 1.13 C ATOM 78 C ALA A 6 -1.500 12.121 -11.832 1.00 11.41 C ATOM 79 O ALA A 6 -0.850 12.659 -12.729 1.00 61.15 O ATOM 80 CB ALA A 6 0.434 12.382 -10.267 1.00 51.14 C ATOM 0 H ALA A 6 -2.131 11.383 -8.783 1.00 43.54 H new ATOM 0 HA ALA A 6 -1.536 13.164 -9.974 1.00 1.13 H new ATOM 0 HB1 ALA A 6 0.772 13.230 -10.862 1.00 51.14 H new ATOM 0 HB2 ALA A 6 0.714 12.535 -9.225 1.00 51.14 H new ATOM 0 HB3 ALA A 6 0.901 11.469 -10.638 1.00 51.14 H new ATOM 86 N LEU A 7 -2.591 11.399 -12.063 1.00 24.23 N ATOM 87 CA LEU A 7 -3.099 11.191 -13.414 1.00 63.42 C ATOM 88 C LEU A 7 -4.343 12.037 -13.665 1.00 20.45 C ATOM 89 O LEU A 7 -4.480 12.659 -14.717 1.00 44.22 O ATOM 90 CB LEU A 7 -3.420 9.712 -13.637 1.00 71.13 C ATOM 91 CG LEU A 7 -2.667 9.026 -14.777 1.00 61.25 C ATOM 92 CD1 LEU A 7 -3.014 9.670 -16.110 1.00 51.35 C ATOM 93 CD2 LEU A 7 -1.166 9.078 -14.533 1.00 1.14 C ATOM 0 H LEU A 7 -3.141 10.948 -11.332 1.00 24.23 H new ATOM 0 HA LEU A 7 -2.326 11.499 -14.118 1.00 63.42 H new ATOM 0 HB2 LEU A 7 -3.211 9.172 -12.713 1.00 71.13 H new ATOM 0 HB3 LEU A 7 -4.489 9.617 -13.826 1.00 71.13 H new ATOM 0 HG LEU A 7 -2.973 7.981 -14.811 1.00 61.25 H new ATOM 0 HD11 LEU A 7 -2.469 9.168 -16.909 1.00 51.35 H new ATOM 0 HD12 LEU A 7 -4.085 9.580 -16.290 1.00 51.35 H new ATOM 0 HD13 LEU A 7 -2.737 10.724 -16.088 1.00 51.35 H new ATOM 0 HD21 LEU A 7 -0.647 8.585 -15.355 1.00 1.14 H new ATOM 0 HD22 LEU A 7 -0.843 10.117 -14.471 1.00 1.14 H new ATOM 0 HD23 LEU A 7 -0.932 8.569 -13.598 1.00 1.14 H new ATOM 105 N GLN A 8 -5.246 12.055 -12.689 1.00 44.31 N ATOM 106 CA GLN A 8 -6.478 12.826 -12.804 1.00 2.51 C ATOM 107 C GLN A 8 -6.869 13.431 -11.459 1.00 43.15 C ATOM 108 O GLN A 8 -8.051 13.620 -11.174 1.00 23.20 O ATOM 109 CB GLN A 8 -7.611 11.942 -13.328 1.00 2.33 C ATOM 110 CG GLN A 8 -7.383 11.436 -14.743 1.00 1.11 C ATOM 111 CD GLN A 8 -8.613 10.773 -15.331 1.00 1.13 C ATOM 112 OE1 GLN A 8 -9.263 11.323 -16.220 1.00 71.55 O ATOM 113 NE2 GLN A 8 -8.939 9.585 -14.835 1.00 72.05 N ATOM 0 H GLN A 8 -5.147 11.545 -11.811 1.00 44.31 H new ATOM 0 HA GLN A 8 -6.304 13.638 -13.510 1.00 2.51 H new ATOM 0 HB2 GLN A 8 -7.733 11.089 -12.661 1.00 2.33 H new ATOM 0 HB3 GLN A 8 -8.544 12.505 -13.298 1.00 2.33 H new ATOM 0 HG2 GLN A 8 -7.085 12.269 -15.379 1.00 1.11 H new ATOM 0 HG3 GLN A 8 -6.557 10.725 -14.742 1.00 1.11 H new ATOM 0 HE21 GLN A 8 -8.371 9.167 -14.098 1.00 72.05 H new ATOM 0 HE22 GLN A 8 -9.757 9.091 -15.191 1.00 72.05 H new ATOM 122 N GLU A 9 -5.868 13.732 -10.638 1.00 1.01 N ATOM 123 CA GLU A 9 -6.109 14.314 -9.323 1.00 3.22 C ATOM 124 C GLU A 9 -5.945 15.831 -9.361 1.00 24.10 C ATOM 125 O GLU A 9 -5.243 16.412 -8.533 1.00 12.32 O ATOM 126 CB GLU A 9 -5.152 13.713 -8.291 1.00 70.43 C ATOM 127 CG GLU A 9 -3.685 13.932 -8.621 1.00 71.51 C ATOM 128 CD GLU A 9 -3.015 14.910 -7.677 1.00 4.32 C ATOM 129 OE1 GLU A 9 -3.296 14.849 -6.462 1.00 22.45 O ATOM 130 OE2 GLU A 9 -2.209 15.738 -8.152 1.00 74.35 O ATOM 0 H GLU A 9 -4.884 13.583 -10.860 1.00 1.01 H new ATOM 0 HA GLU A 9 -7.135 14.083 -9.035 1.00 3.22 H new ATOM 0 HB2 GLU A 9 -5.365 14.148 -7.314 1.00 70.43 H new ATOM 0 HB3 GLU A 9 -5.342 12.643 -8.212 1.00 70.43 H new ATOM 0 HG2 GLU A 9 -3.161 12.977 -8.581 1.00 71.51 H new ATOM 0 HG3 GLU A 9 -3.597 14.301 -9.643 1.00 71.51 H new ATOM 137 N LYS A 10 -6.596 16.466 -10.329 1.00 14.31 N ATOM 138 CA LYS A 10 -6.525 17.915 -10.477 1.00 0.12 C ATOM 139 C LYS A 10 -7.201 18.616 -9.303 1.00 32.12 C ATOM 140 O LYS A 10 -8.394 18.917 -9.352 1.00 12.33 O ATOM 141 CB LYS A 10 -7.182 18.347 -11.790 1.00 0.44 C ATOM 142 CG LYS A 10 -6.245 18.296 -12.984 1.00 74.03 C ATOM 143 CD LYS A 10 -6.074 16.876 -13.498 1.00 55.22 C ATOM 144 CE LYS A 10 -6.282 16.799 -15.003 1.00 0.40 C ATOM 145 NZ LYS A 10 -5.691 15.561 -15.582 1.00 2.31 N ATOM 0 H LYS A 10 -7.179 16.000 -11.024 1.00 14.31 H new ATOM 0 HA LYS A 10 -5.474 18.202 -10.492 1.00 0.12 H new ATOM 0 HB2 LYS A 10 -8.041 17.705 -11.985 1.00 0.44 H new ATOM 0 HB3 LYS A 10 -7.562 19.363 -11.680 1.00 0.44 H new ATOM 0 HG2 LYS A 10 -6.636 18.928 -13.782 1.00 74.03 H new ATOM 0 HG3 LYS A 10 -5.273 18.702 -12.703 1.00 74.03 H new ATOM 0 HD2 LYS A 10 -5.076 16.515 -13.249 1.00 55.22 H new ATOM 0 HD3 LYS A 10 -6.785 16.219 -12.997 1.00 55.22 H new ATOM 0 HE2 LYS A 10 -7.349 16.830 -15.224 1.00 0.40 H new ATOM 0 HE3 LYS A 10 -5.833 17.672 -15.477 1.00 0.40 H new ATOM 0 HZ1 LYS A 10 -5.593 15.672 -16.611 1.00 2.31 H new ATOM 0 HZ2 LYS A 10 -4.755 15.393 -15.161 1.00 2.31 H new ATOM 0 HZ3 LYS A 10 -6.312 14.752 -15.379 1.00 2.31 H new ATOM 159 N ILE A 11 -6.432 18.873 -8.250 1.00 41.35 N ATOM 160 CA ILE A 11 -6.957 19.541 -7.066 1.00 30.10 C ATOM 161 C ILE A 11 -7.057 21.047 -7.283 1.00 1.12 C ATOM 162 O ILE A 11 -6.105 21.684 -7.733 1.00 2.31 O ATOM 163 CB ILE A 11 -6.079 19.269 -5.830 1.00 61.44 C ATOM 164 CG1 ILE A 11 -6.728 19.858 -4.576 1.00 70.14 C ATOM 165 CG2 ILE A 11 -4.686 19.845 -6.033 1.00 42.32 C ATOM 166 CD1 ILE A 11 -7.417 18.826 -3.711 1.00 4.13 C ATOM 0 H ILE A 11 -5.443 18.629 -8.193 1.00 41.35 H new ATOM 0 HA ILE A 11 -7.953 19.135 -6.891 1.00 30.10 H new ATOM 0 HB ILE A 11 -5.989 18.191 -5.697 1.00 61.44 H new ATOM 0 HG12 ILE A 11 -5.965 20.364 -3.985 1.00 70.14 H new ATOM 0 HG13 ILE A 11 -7.454 20.614 -4.874 1.00 70.14 H new ATOM 0 HG21 ILE A 11 -4.077 19.645 -5.151 1.00 42.32 H new ATOM 0 HG22 ILE A 11 -4.224 19.382 -6.905 1.00 42.32 H new ATOM 0 HG23 ILE A 11 -4.757 20.922 -6.188 1.00 42.32 H new ATOM 0 HD11 ILE A 11 -7.854 19.315 -2.840 1.00 4.13 H new ATOM 0 HD12 ILE A 11 -8.203 18.336 -4.285 1.00 4.13 H new ATOM 0 HD13 ILE A 11 -6.691 18.082 -3.383 1.00 4.13 H new ATOM 178 N SER A 12 -8.216 21.611 -6.958 1.00 20.43 N ATOM 179 CA SER A 12 -8.442 23.042 -7.119 1.00 4.35 C ATOM 180 C SER A 12 -8.415 23.434 -8.593 1.00 1.22 C ATOM 181 O SER A 12 -7.395 23.291 -9.268 1.00 30.41 O ATOM 182 CB SER A 12 -7.384 23.836 -6.349 1.00 13.31 C ATOM 183 OG SER A 12 -7.106 23.234 -5.097 1.00 3.23 O ATOM 0 H SER A 12 -9.013 21.098 -6.581 1.00 20.43 H new ATOM 0 HA SER A 12 -9.427 23.277 -6.717 1.00 4.35 H new ATOM 0 HB2 SER A 12 -6.469 23.896 -6.939 1.00 13.31 H new ATOM 0 HB3 SER A 12 -7.732 24.858 -6.196 1.00 13.31 H new ATOM 0 HG SER A 12 -6.320 23.661 -4.696 1.00 3.23 H new ATOM 189 N THR A 13 -9.545 23.931 -9.087 1.00 62.42 N ATOM 190 CA THR A 13 -9.653 24.343 -10.481 1.00 32.50 C ATOM 191 C THR A 13 -9.368 25.832 -10.638 1.00 21.30 C ATOM 192 O THR A 13 -8.365 26.221 -11.235 1.00 25.34 O ATOM 193 CB THR A 13 -11.051 24.037 -11.050 1.00 75.51 C ATOM 194 OG1 THR A 13 -11.856 23.396 -10.054 1.00 73.31 O ATOM 195 CG2 THR A 13 -10.952 23.146 -12.279 1.00 73.14 C ATOM 0 H THR A 13 -10.398 24.058 -8.542 1.00 62.42 H new ATOM 0 HA THR A 13 -8.909 23.773 -11.038 1.00 32.50 H new ATOM 0 HB THR A 13 -11.515 24.980 -11.340 1.00 75.51 H new ATOM 0 HG1 THR A 13 -11.688 23.809 -9.182 1.00 73.31 H new ATOM 0 HG21 THR A 13 -11.952 22.944 -12.663 1.00 73.14 H new ATOM 0 HG22 THR A 13 -10.363 23.649 -13.046 1.00 73.14 H new ATOM 0 HG23 THR A 13 -10.470 22.206 -12.009 1.00 73.14 H new ATOM 203 N GLU A 14 -10.257 26.660 -10.098 1.00 5.00 N ATOM 204 CA GLU A 14 -10.099 28.107 -10.179 1.00 45.42 C ATOM 205 C GLU A 14 -9.673 28.685 -8.832 1.00 61.33 C ATOM 206 O GLU A 14 -9.605 29.902 -8.659 1.00 41.34 O ATOM 207 CB GLU A 14 -11.405 28.760 -10.637 1.00 5.44 C ATOM 208 CG GLU A 14 -11.266 29.567 -11.917 1.00 1.45 C ATOM 209 CD GLU A 14 -12.269 29.157 -12.977 1.00 31.42 C ATOM 210 OE1 GLU A 14 -11.950 28.251 -13.775 1.00 71.41 O ATOM 211 OE2 GLU A 14 -13.372 29.741 -13.009 1.00 33.44 O ATOM 0 H GLU A 14 -11.093 26.354 -9.600 1.00 5.00 H new ATOM 0 HA GLU A 14 -9.319 28.321 -10.909 1.00 45.42 H new ATOM 0 HB2 GLU A 14 -12.156 27.984 -10.786 1.00 5.44 H new ATOM 0 HB3 GLU A 14 -11.773 29.412 -9.845 1.00 5.44 H new ATOM 0 HG2 GLU A 14 -11.395 30.625 -11.690 1.00 1.45 H new ATOM 0 HG3 GLU A 14 -10.257 29.446 -12.311 1.00 1.45 H new ATOM 218 N LEU A 15 -9.388 27.802 -7.881 1.00 11.52 N ATOM 219 CA LEU A 15 -8.969 28.223 -6.548 1.00 74.01 C ATOM 220 C LEU A 15 -10.168 28.663 -5.714 1.00 74.21 C ATOM 221 O LEU A 15 -10.053 28.877 -4.508 1.00 70.32 O ATOM 222 CB LEU A 15 -7.956 29.365 -6.647 1.00 31.31 C ATOM 223 CG LEU A 15 -6.899 29.421 -5.544 1.00 23.02 C ATOM 224 CD1 LEU A 15 -6.042 28.165 -5.561 1.00 62.32 C ATOM 225 CD2 LEU A 15 -6.032 30.662 -5.699 1.00 10.13 C ATOM 0 H LEU A 15 -9.439 26.791 -8.008 1.00 11.52 H new ATOM 0 HA LEU A 15 -8.500 27.371 -6.056 1.00 74.01 H new ATOM 0 HB2 LEU A 15 -7.446 29.290 -7.608 1.00 31.31 H new ATOM 0 HB3 LEU A 15 -8.501 30.309 -6.648 1.00 31.31 H new ATOM 0 HG LEU A 15 -7.408 29.475 -4.582 1.00 23.02 H new ATOM 0 HD11 LEU A 15 -5.295 28.223 -4.769 1.00 62.32 H new ATOM 0 HD12 LEU A 15 -6.674 27.291 -5.401 1.00 62.32 H new ATOM 0 HD13 LEU A 15 -5.542 28.079 -6.526 1.00 62.32 H new ATOM 0 HD21 LEU A 15 -5.285 30.686 -4.905 1.00 10.13 H new ATOM 0 HD22 LEU A 15 -5.532 30.638 -6.667 1.00 10.13 H new ATOM 0 HD23 LEU A 15 -6.657 31.553 -5.636 1.00 10.13 H new ATOM 237 N ASN A 16 -11.320 28.794 -6.365 1.00 63.52 N ATOM 238 CA ASN A 16 -12.541 29.206 -5.683 1.00 41.12 C ATOM 239 C ASN A 16 -13.384 27.995 -5.298 1.00 34.34 C ATOM 240 O ASN A 16 -13.886 27.906 -4.178 1.00 24.14 O ATOM 241 CB ASN A 16 -13.355 30.146 -6.575 1.00 33.42 C ATOM 242 CG ASN A 16 -13.928 31.321 -5.806 1.00 21.31 C ATOM 243 OD1 ASN A 16 -13.219 31.989 -5.054 1.00 2.42 O ATOM 244 ND2 ASN A 16 -15.218 31.577 -5.992 1.00 5.15 N ATOM 0 H ASN A 16 -11.433 28.621 -7.364 1.00 63.52 H new ATOM 0 HA ASN A 16 -12.259 29.734 -4.772 1.00 41.12 H new ATOM 0 HB2 ASN A 16 -12.722 30.517 -7.381 1.00 33.42 H new ATOM 0 HB3 ASN A 16 -14.168 29.588 -7.040 1.00 33.42 H new ATOM 0 HD21 ASN A 16 -15.660 32.355 -5.501 1.00 5.15 H new ATOM 0 HD22 ASN A 16 -15.767 30.996 -6.626 1.00 5.15 H new ATOM 251 N ASN A 17 -13.536 27.064 -6.234 1.00 22.31 N ATOM 252 CA ASN A 17 -14.318 25.857 -5.992 1.00 75.04 C ATOM 253 C ASN A 17 -13.534 24.861 -5.144 1.00 71.40 C ATOM 254 O ASN A 17 -14.111 23.971 -4.519 1.00 32.23 O ATOM 255 CB ASN A 17 -14.719 25.210 -7.320 1.00 21.43 C ATOM 256 CG ASN A 17 -13.552 25.091 -8.281 1.00 3.24 C ATOM 257 OD1 ASN A 17 -12.449 24.708 -7.891 1.00 23.14 O ATOM 258 ND2 ASN A 17 -13.790 25.421 -9.545 1.00 13.04 N ATOM 0 H ASN A 17 -13.128 27.122 -7.167 1.00 22.31 H new ATOM 0 HA ASN A 17 -15.218 26.140 -5.447 1.00 75.04 H new ATOM 0 HB2 ASN A 17 -15.131 24.219 -7.128 1.00 21.43 H new ATOM 0 HB3 ASN A 17 -15.510 25.800 -7.784 1.00 21.43 H new ATOM 0 HD21 ASN A 17 -13.043 25.362 -10.237 1.00 13.04 H new ATOM 0 HD22 ASN A 17 -14.720 25.733 -9.824 1.00 13.04 H new ATOM 265 N LYS A 18 -12.215 25.017 -5.127 1.00 23.53 N ATOM 266 CA LYS A 18 -11.349 24.133 -4.354 1.00 55.02 C ATOM 267 C LYS A 18 -11.820 24.040 -2.906 1.00 51.23 C ATOM 268 O LYS A 18 -11.719 22.987 -2.278 1.00 64.33 O ATOM 269 CB LYS A 18 -9.904 24.633 -4.401 1.00 22.24 C ATOM 270 CG LYS A 18 -9.686 25.935 -3.649 1.00 62.32 C ATOM 271 CD LYS A 18 -9.166 25.687 -2.243 1.00 63.32 C ATOM 272 CE LYS A 18 -7.750 25.130 -2.263 1.00 34.24 C ATOM 273 NZ LYS A 18 -6.751 26.139 -1.814 1.00 32.43 N ATOM 0 H LYS A 18 -11.721 25.748 -5.640 1.00 23.53 H new ATOM 0 HA LYS A 18 -11.397 23.138 -4.797 1.00 55.02 H new ATOM 0 HB2 LYS A 18 -9.250 23.868 -3.983 1.00 22.24 H new ATOM 0 HB3 LYS A 18 -9.610 24.770 -5.441 1.00 22.24 H new ATOM 0 HG2 LYS A 18 -8.977 26.557 -4.195 1.00 62.32 H new ATOM 0 HG3 LYS A 18 -10.624 26.488 -3.599 1.00 62.32 H new ATOM 0 HD2 LYS A 18 -9.184 26.619 -1.678 1.00 63.32 H new ATOM 0 HD3 LYS A 18 -9.826 24.989 -1.728 1.00 63.32 H new ATOM 0 HE2 LYS A 18 -7.696 24.253 -1.618 1.00 34.24 H new ATOM 0 HE3 LYS A 18 -7.504 24.799 -3.272 1.00 34.24 H new ATOM 0 HZ1 LYS A 18 -5.799 25.721 -1.842 1.00 32.43 H new ATOM 0 HZ2 LYS A 18 -6.785 26.965 -2.444 1.00 32.43 H new ATOM 0 HZ3 LYS A 18 -6.970 26.436 -0.842 1.00 32.43 H new ATOM 287 N GLN A 19 -12.336 25.148 -2.384 1.00 42.32 N ATOM 288 CA GLN A 19 -12.823 25.190 -1.010 1.00 43.14 C ATOM 289 C GLN A 19 -14.036 24.283 -0.835 1.00 54.41 C ATOM 290 O GLN A 19 -14.125 23.528 0.133 1.00 63.30 O ATOM 291 CB GLN A 19 -13.182 26.624 -0.618 1.00 4.24 C ATOM 292 CG GLN A 19 -12.035 27.607 -0.789 1.00 42.21 C ATOM 293 CD GLN A 19 -11.056 27.569 0.368 1.00 44.24 C ATOM 294 OE1 GLN A 19 -11.336 26.985 1.415 1.00 72.24 O ATOM 295 NE2 GLN A 19 -9.898 28.194 0.185 1.00 71.34 N ATOM 0 H GLN A 19 -12.428 26.028 -2.891 1.00 42.32 H new ATOM 0 HA GLN A 19 -12.027 24.831 -0.357 1.00 43.14 H new ATOM 0 HB2 GLN A 19 -14.027 26.956 -1.221 1.00 4.24 H new ATOM 0 HB3 GLN A 19 -13.508 26.637 0.422 1.00 4.24 H new ATOM 0 HG2 GLN A 19 -11.506 27.384 -1.715 1.00 42.21 H new ATOM 0 HG3 GLN A 19 -12.437 28.615 -0.887 1.00 42.21 H new ATOM 0 HE21 GLN A 19 -9.707 28.666 -0.699 1.00 71.34 H new ATOM 0 HE22 GLN A 19 -9.200 28.202 0.929 1.00 71.34 H new ATOM 304 N TYR A 20 -14.970 24.364 -1.777 1.00 4.00 N ATOM 305 CA TYR A 20 -16.180 23.553 -1.725 1.00 61.31 C ATOM 306 C TYR A 20 -15.862 22.083 -1.984 1.00 53.25 C ATOM 307 O TYR A 20 -16.374 21.197 -1.301 1.00 62.12 O ATOM 308 CB TYR A 20 -17.199 24.054 -2.749 1.00 55.03 C ATOM 309 CG TYR A 20 -17.661 25.472 -2.500 1.00 13.02 C ATOM 310 CD1 TYR A 20 -16.948 26.554 -3.002 1.00 34.02 C ATOM 311 CD2 TYR A 20 -18.809 25.730 -1.761 1.00 55.04 C ATOM 312 CE1 TYR A 20 -17.366 27.851 -2.776 1.00 0.31 C ATOM 313 CE2 TYR A 20 -19.235 27.024 -1.532 1.00 33.13 C ATOM 314 CZ TYR A 20 -18.510 28.081 -2.041 1.00 12.12 C ATOM 315 OH TYR A 20 -18.930 29.372 -1.813 1.00 74.50 O ATOM 0 H TYR A 20 -14.912 24.983 -2.585 1.00 4.00 H new ATOM 0 HA TYR A 20 -16.605 23.643 -0.725 1.00 61.31 H new ATOM 0 HB2 TYR A 20 -16.760 23.993 -3.745 1.00 55.03 H new ATOM 0 HB3 TYR A 20 -18.065 23.392 -2.741 1.00 55.03 H new ATOM 0 HD1 TYR A 20 -16.052 26.378 -3.579 1.00 34.02 H new ATOM 0 HD2 TYR A 20 -19.378 24.905 -1.359 1.00 55.04 H new ATOM 0 HE1 TYR A 20 -16.800 28.681 -3.173 1.00 0.31 H new ATOM 0 HE2 TYR A 20 -20.131 27.207 -0.957 1.00 33.13 H new ATOM 0 HH TYR A 20 -19.752 29.359 -1.280 1.00 74.50 H new ATOM 325 N GLU A 21 -15.013 21.834 -2.977 1.00 15.21 N ATOM 326 CA GLU A 21 -14.627 20.472 -3.327 1.00 52.42 C ATOM 327 C GLU A 21 -13.827 19.827 -2.199 1.00 72.35 C ATOM 328 O GLU A 21 -14.077 18.681 -1.823 1.00 32.13 O ATOM 329 CB GLU A 21 -13.805 20.468 -4.618 1.00 32.22 C ATOM 330 CG GLU A 21 -14.648 20.341 -5.876 1.00 11.53 C ATOM 331 CD GLU A 21 -13.880 20.706 -7.131 1.00 53.44 C ATOM 332 OE1 GLU A 21 -13.526 21.894 -7.285 1.00 44.01 O ATOM 333 OE2 GLU A 21 -13.635 19.805 -7.960 1.00 45.31 O ATOM 0 H GLU A 21 -14.580 22.557 -3.552 1.00 15.21 H new ATOM 0 HA GLU A 21 -15.536 19.891 -3.482 1.00 52.42 H new ATOM 0 HB2 GLU A 21 -13.224 21.389 -4.672 1.00 32.22 H new ATOM 0 HB3 GLU A 21 -13.093 19.643 -4.583 1.00 32.22 H new ATOM 0 HG2 GLU A 21 -15.013 19.318 -5.963 1.00 11.53 H new ATOM 0 HG3 GLU A 21 -15.523 20.985 -5.789 1.00 11.53 H new ATOM 340 N LEU A 22 -12.864 20.569 -1.665 1.00 51.31 N ATOM 341 CA LEU A 22 -12.026 20.070 -0.580 1.00 41.34 C ATOM 342 C LEU A 22 -12.849 19.846 0.684 1.00 25.33 C ATOM 343 O LEU A 22 -12.567 18.939 1.468 1.00 61.42 O ATOM 344 CB LEU A 22 -10.889 21.053 -0.295 1.00 24.40 C ATOM 345 CG LEU A 22 -9.781 20.547 0.630 1.00 32.12 C ATOM 346 CD1 LEU A 22 -8.417 20.747 -0.011 1.00 61.23 C ATOM 347 CD2 LEU A 22 -9.848 21.252 1.977 1.00 41.30 C ATOM 0 H LEU A 22 -12.644 21.519 -1.965 1.00 51.31 H new ATOM 0 HA LEU A 22 -11.603 19.114 -0.890 1.00 41.34 H new ATOM 0 HB2 LEU A 22 -10.439 21.342 -1.245 1.00 24.40 H new ATOM 0 HB3 LEU A 22 -11.316 21.955 0.143 1.00 24.40 H new ATOM 0 HG LEU A 22 -9.929 19.480 0.793 1.00 32.12 H new ATOM 0 HD11 LEU A 22 -7.642 20.381 0.662 1.00 61.23 H new ATOM 0 HD12 LEU A 22 -8.372 20.196 -0.950 1.00 61.23 H new ATOM 0 HD13 LEU A 22 -8.258 21.808 -0.205 1.00 61.23 H new ATOM 0 HD21 LEU A 22 -9.052 20.880 2.622 1.00 41.30 H new ATOM 0 HD22 LEU A 22 -9.726 22.325 1.832 1.00 41.30 H new ATOM 0 HD23 LEU A 22 -10.814 21.057 2.442 1.00 41.30 H new ATOM 359 N PHE A 23 -13.868 20.676 0.876 1.00 2.43 N ATOM 360 CA PHE A 23 -14.733 20.568 2.045 1.00 22.03 C ATOM 361 C PHE A 23 -15.427 19.210 2.084 1.00 20.30 C ATOM 362 O PHE A 23 -15.430 18.532 3.111 1.00 32.30 O ATOM 363 CB PHE A 23 -15.777 21.687 2.039 1.00 25.23 C ATOM 364 CG PHE A 23 -15.546 22.727 3.098 1.00 34.12 C ATOM 365 CD1 PHE A 23 -15.409 22.362 4.428 1.00 41.21 C ATOM 366 CD2 PHE A 23 -15.467 24.069 2.764 1.00 51.11 C ATOM 367 CE1 PHE A 23 -15.198 23.317 5.404 1.00 1.41 C ATOM 368 CE2 PHE A 23 -15.256 25.029 3.736 1.00 63.11 C ATOM 369 CZ PHE A 23 -15.120 24.652 5.058 1.00 41.23 C ATOM 0 H PHE A 23 -14.115 21.431 0.237 1.00 2.43 H new ATOM 0 HA PHE A 23 -14.112 20.665 2.936 1.00 22.03 H new ATOM 0 HB2 PHE A 23 -15.776 22.169 1.061 1.00 25.23 H new ATOM 0 HB3 PHE A 23 -16.766 21.251 2.179 1.00 25.23 H new ATOM 0 HD1 PHE A 23 -15.468 21.320 4.705 1.00 41.21 H new ATOM 0 HD2 PHE A 23 -15.572 24.369 1.732 1.00 51.11 H new ATOM 0 HE1 PHE A 23 -15.094 23.020 6.437 1.00 1.41 H new ATOM 0 HE2 PHE A 23 -15.198 26.072 3.462 1.00 63.11 H new ATOM 0 HZ PHE A 23 -14.953 25.399 5.819 1.00 41.23 H new ATOM 379 N MET A 24 -16.015 18.820 0.958 1.00 65.25 N ATOM 380 CA MET A 24 -16.712 17.542 0.862 1.00 4.50 C ATOM 381 C MET A 24 -15.720 16.390 0.737 1.00 31.05 C ATOM 382 O MET A 24 -15.956 15.296 1.251 1.00 40.11 O ATOM 383 CB MET A 24 -17.662 17.544 -0.336 1.00 55.45 C ATOM 384 CG MET A 24 -19.131 17.591 0.053 1.00 71.50 C ATOM 385 SD MET A 24 -19.654 19.228 0.597 1.00 31.14 S ATOM 386 CE MET A 24 -19.941 18.930 2.340 1.00 31.41 C ATOM 0 H MET A 24 -16.023 19.370 0.099 1.00 65.25 H new ATOM 0 HA MET A 24 -17.291 17.403 1.775 1.00 4.50 H new ATOM 0 HB2 MET A 24 -17.434 18.402 -0.968 1.00 55.45 H new ATOM 0 HB3 MET A 24 -17.481 16.651 -0.934 1.00 55.45 H new ATOM 0 HG2 MET A 24 -19.738 17.284 -0.799 1.00 71.50 H new ATOM 0 HG3 MET A 24 -19.315 16.871 0.851 1.00 71.50 H new ATOM 0 HE1 MET A 24 -21.013 18.940 2.539 1.00 31.41 H new ATOM 0 HE2 MET A 24 -19.530 17.959 2.616 1.00 31.41 H new ATOM 0 HE3 MET A 24 -19.455 19.709 2.927 1.00 31.41 H new ATOM 396 N LYS A 25 -14.610 16.642 0.052 1.00 20.12 N ATOM 397 CA LYS A 25 -13.581 15.626 -0.139 1.00 55.45 C ATOM 398 C LYS A 25 -12.940 15.244 1.190 1.00 5.34 C ATOM 399 O LYS A 25 -12.714 14.066 1.466 1.00 65.05 O ATOM 400 CB LYS A 25 -12.510 16.132 -1.108 1.00 53.43 C ATOM 401 CG LYS A 25 -11.587 15.040 -1.619 1.00 74.34 C ATOM 402 CD LYS A 25 -10.128 15.381 -1.371 1.00 42.33 C ATOM 403 CE LYS A 25 -9.695 14.992 0.034 1.00 73.41 C ATOM 404 NZ LYS A 25 -8.246 14.654 0.095 1.00 51.33 N ATOM 0 H LYS A 25 -14.400 17.541 -0.381 1.00 20.12 H new ATOM 0 HA LYS A 25 -14.055 14.740 -0.561 1.00 55.45 H new ATOM 0 HB2 LYS A 25 -12.997 16.611 -1.957 1.00 53.43 H new ATOM 0 HB3 LYS A 25 -11.914 16.897 -0.610 1.00 53.43 H new ATOM 0 HG2 LYS A 25 -11.830 14.098 -1.128 1.00 74.34 H new ATOM 0 HG3 LYS A 25 -11.751 14.894 -2.687 1.00 74.34 H new ATOM 0 HD2 LYS A 25 -9.504 14.866 -2.101 1.00 42.33 H new ATOM 0 HD3 LYS A 25 -9.973 16.450 -1.518 1.00 42.33 H new ATOM 0 HE2 LYS A 25 -9.905 15.813 0.719 1.00 73.41 H new ATOM 0 HE3 LYS A 25 -10.282 14.137 0.371 1.00 73.41 H new ATOM 0 HZ1 LYS A 25 -7.991 14.394 1.069 1.00 51.33 H new ATOM 0 HZ2 LYS A 25 -8.049 13.854 -0.539 1.00 51.33 H new ATOM 0 HZ3 LYS A 25 -7.685 15.478 -0.202 1.00 51.33 H new ATOM 418 N SER A 26 -12.649 16.248 2.012 1.00 34.13 N ATOM 419 CA SER A 26 -12.031 16.017 3.313 1.00 74.34 C ATOM 420 C SER A 26 -12.973 15.245 4.232 1.00 11.33 C ATOM 421 O SER A 26 -12.538 14.414 5.031 1.00 42.53 O ATOM 422 CB SER A 26 -11.644 17.347 3.961 1.00 51.43 C ATOM 423 OG SER A 26 -12.783 18.014 4.477 1.00 31.55 O ATOM 0 H SER A 26 -12.831 17.229 1.800 1.00 34.13 H new ATOM 0 HA SER A 26 -11.131 15.421 3.160 1.00 74.34 H new ATOM 0 HB2 SER A 26 -10.928 17.169 4.764 1.00 51.43 H new ATOM 0 HB3 SER A 26 -11.148 17.982 3.227 1.00 51.43 H new ATOM 0 HG SER A 26 -13.495 18.013 3.804 1.00 31.55 H new ATOM 429 N LEU A 27 -14.266 15.526 4.114 1.00 32.03 N ATOM 430 CA LEU A 27 -15.272 14.859 4.934 1.00 3.34 C ATOM 431 C LEU A 27 -15.450 13.407 4.503 1.00 14.14 C ATOM 432 O LEU A 27 -15.434 12.497 5.333 1.00 63.14 O ATOM 433 CB LEU A 27 -16.607 15.599 4.840 1.00 13.14 C ATOM 434 CG LEU A 27 -16.698 16.920 5.605 1.00 51.20 C ATOM 435 CD1 LEU A 27 -18.066 17.556 5.411 1.00 44.53 C ATOM 436 CD2 LEU A 27 -16.415 16.701 7.084 1.00 71.10 C ATOM 0 H LEU A 27 -14.643 16.211 3.459 1.00 32.03 H new ATOM 0 HA LEU A 27 -14.929 14.872 5.969 1.00 3.34 H new ATOM 0 HB2 LEU A 27 -16.817 15.796 3.789 1.00 13.14 H new ATOM 0 HB3 LEU A 27 -17.393 14.937 5.204 1.00 13.14 H new ATOM 0 HG LEU A 27 -15.944 17.600 5.208 1.00 51.20 H new ATOM 0 HD11 LEU A 27 -18.112 18.495 5.963 1.00 44.53 H new ATOM 0 HD12 LEU A 27 -18.230 17.749 4.351 1.00 44.53 H new ATOM 0 HD13 LEU A 27 -18.837 16.880 5.780 1.00 44.53 H new ATOM 0 HD21 LEU A 27 -16.484 17.652 7.612 1.00 71.10 H new ATOM 0 HD22 LEU A 27 -17.145 16.004 7.495 1.00 71.10 H new ATOM 0 HD23 LEU A 27 -15.413 16.290 7.206 1.00 71.10 H new ATOM 448 N ILE A 28 -15.619 13.198 3.202 1.00 10.02 N ATOM 449 CA ILE A 28 -15.797 11.856 2.661 1.00 11.33 C ATOM 450 C ILE A 28 -14.533 11.022 2.834 1.00 65.33 C ATOM 451 O ILE A 28 -14.589 9.877 3.282 1.00 13.30 O ATOM 452 CB ILE A 28 -16.173 11.896 1.168 1.00 5.41 C ATOM 453 CG1 ILE A 28 -17.512 12.610 0.976 1.00 52.13 C ATOM 454 CG2 ILE A 28 -16.230 10.487 0.598 1.00 34.15 C ATOM 455 CD1 ILE A 28 -18.679 11.888 1.613 1.00 24.20 C ATOM 0 H ILE A 28 -15.636 13.941 2.503 1.00 10.02 H new ATOM 0 HA ILE A 28 -16.612 11.396 3.220 1.00 11.33 H new ATOM 0 HB ILE A 28 -15.406 12.453 0.630 1.00 5.41 H new ATOM 0 HG12 ILE A 28 -17.443 13.613 1.396 1.00 52.13 H new ATOM 0 HG13 ILE A 28 -17.704 12.724 -0.091 1.00 52.13 H new ATOM 0 HG21 ILE A 28 -16.497 10.532 -0.458 1.00 34.15 H new ATOM 0 HG22 ILE A 28 -15.255 10.011 0.706 1.00 34.15 H new ATOM 0 HG23 ILE A 28 -16.979 9.906 1.137 1.00 34.15 H new ATOM 0 HD11 ILE A 28 -19.595 12.451 1.437 1.00 24.20 H new ATOM 0 HD12 ILE A 28 -18.774 10.894 1.176 1.00 24.20 H new ATOM 0 HD13 ILE A 28 -18.509 11.798 2.686 1.00 24.20 H new ATOM 467 N GLU A 29 -13.392 11.604 2.476 1.00 13.10 N ATOM 468 CA GLU A 29 -12.113 10.914 2.593 1.00 72.45 C ATOM 469 C GLU A 29 -11.810 10.571 4.048 1.00 13.45 C ATOM 470 O GLU A 29 -11.189 9.551 4.341 1.00 71.33 O ATOM 471 CB GLU A 29 -10.989 11.776 2.015 1.00 24.32 C ATOM 472 CG GLU A 29 -10.534 12.887 2.947 1.00 61.43 C ATOM 473 CD GLU A 29 -9.462 12.431 3.918 1.00 12.40 C ATOM 474 OE1 GLU A 29 -9.065 11.249 3.850 1.00 5.44 O ATOM 475 OE2 GLU A 29 -9.021 13.256 4.745 1.00 15.24 O ATOM 0 H GLU A 29 -13.328 12.551 2.103 1.00 13.10 H new ATOM 0 HA GLU A 29 -12.177 9.985 2.026 1.00 72.45 H new ATOM 0 HB2 GLU A 29 -10.137 11.138 1.781 1.00 24.32 H new ATOM 0 HB3 GLU A 29 -11.326 12.216 1.076 1.00 24.32 H new ATOM 0 HG2 GLU A 29 -10.153 13.719 2.355 1.00 61.43 H new ATOM 0 HG3 GLU A 29 -11.391 13.260 3.507 1.00 61.43 H new ATOM 482 N ASN A 30 -12.254 11.434 4.957 1.00 21.35 N ATOM 483 CA ASN A 30 -12.030 11.224 6.383 1.00 3.12 C ATOM 484 C ASN A 30 -12.892 10.079 6.907 1.00 44.31 C ATOM 485 O ASN A 30 -12.385 9.133 7.510 1.00 25.23 O ATOM 486 CB ASN A 30 -12.335 12.505 7.162 1.00 31.04 C ATOM 487 CG ASN A 30 -12.343 12.281 8.662 1.00 13.23 C ATOM 488 OD1 ASN A 30 -11.294 12.276 9.306 1.00 21.30 O ATOM 489 ND2 ASN A 30 -13.531 12.095 9.226 1.00 11.00 N ATOM 0 H ASN A 30 -12.770 12.284 4.732 1.00 21.35 H new ATOM 0 HA ASN A 30 -10.982 10.960 6.526 1.00 3.12 H new ATOM 0 HB2 ASN A 30 -11.592 13.263 6.915 1.00 31.04 H new ATOM 0 HB3 ASN A 30 -13.304 12.895 6.850 1.00 31.04 H new ATOM 0 HD21 ASN A 30 -13.599 11.940 10.232 1.00 11.00 H new ATOM 0 HD22 ASN A 30 -14.375 12.107 8.653 1.00 11.00 H new ATOM 496 N CYS A 31 -14.196 10.172 6.672 1.00 45.44 N ATOM 497 CA CYS A 31 -15.129 9.145 7.120 1.00 63.35 C ATOM 498 C CYS A 31 -14.846 7.815 6.428 1.00 52.13 C ATOM 499 O CYS A 31 -14.776 6.769 7.073 1.00 0.14 O ATOM 500 CB CYS A 31 -16.569 9.580 6.846 1.00 60.01 C ATOM 501 SG CYS A 31 -17.252 10.698 8.092 1.00 23.02 S ATOM 0 H CYS A 31 -14.631 10.948 6.174 1.00 45.44 H new ATOM 0 HA CYS A 31 -14.996 9.011 8.194 1.00 63.35 H new ATOM 0 HB2 CYS A 31 -16.611 10.069 5.873 1.00 60.01 H new ATOM 0 HB3 CYS A 31 -17.200 8.693 6.784 1.00 60.01 H new ATOM 0 HG CYS A 31 -17.054 10.201 9.277 1.00 23.02 H new ATOM 507 N LYS A 32 -14.686 7.862 5.109 1.00 14.35 N ATOM 508 CA LYS A 32 -14.412 6.662 4.328 1.00 10.21 C ATOM 509 C LYS A 32 -13.089 6.030 4.748 1.00 1.12 C ATOM 510 O LYS A 32 -12.910 4.816 4.650 1.00 60.11 O ATOM 511 CB LYS A 32 -14.378 6.997 2.835 1.00 10.43 C ATOM 512 CG LYS A 32 -13.064 7.607 2.379 1.00 40.14 C ATOM 513 CD LYS A 32 -12.099 6.544 1.881 1.00 30.12 C ATOM 514 CE LYS A 32 -11.854 6.670 0.385 1.00 21.43 C ATOM 515 NZ LYS A 32 -11.868 5.344 -0.292 1.00 63.43 N ATOM 0 H LYS A 32 -14.742 8.719 4.559 1.00 14.35 H new ATOM 0 HA LYS A 32 -15.212 5.946 4.515 1.00 10.21 H new ATOM 0 HB2 LYS A 32 -14.565 6.088 2.263 1.00 10.43 H new ATOM 0 HB3 LYS A 32 -15.189 7.689 2.608 1.00 10.43 H new ATOM 0 HG2 LYS A 32 -13.253 8.329 1.585 1.00 40.14 H new ATOM 0 HG3 LYS A 32 -12.610 8.154 3.205 1.00 40.14 H new ATOM 0 HD2 LYS A 32 -11.152 6.632 2.414 1.00 30.12 H new ATOM 0 HD3 LYS A 32 -12.499 5.555 2.103 1.00 30.12 H new ATOM 0 HE2 LYS A 32 -12.618 7.311 -0.056 1.00 21.43 H new ATOM 0 HE3 LYS A 32 -10.893 7.155 0.214 1.00 21.43 H new ATOM 0 HZ1 LYS A 32 -11.378 5.416 -1.206 1.00 63.43 H new ATOM 0 HZ2 LYS A 32 -11.384 4.644 0.306 1.00 63.43 H new ATOM 0 HZ3 LYS A 32 -12.852 5.045 -0.449 1.00 63.43 H new ATOM 529 N LYS A 33 -12.164 6.861 5.218 1.00 35.21 N ATOM 530 CA LYS A 33 -10.858 6.384 5.656 1.00 32.33 C ATOM 531 C LYS A 33 -10.999 5.385 6.801 1.00 55.22 C ATOM 532 O LYS A 33 -10.076 4.624 7.090 1.00 74.41 O ATOM 533 CB LYS A 33 -9.984 7.560 6.097 1.00 52.22 C ATOM 534 CG LYS A 33 -8.908 7.928 5.091 1.00 43.44 C ATOM 535 CD LYS A 33 -7.523 7.557 5.594 1.00 31.11 C ATOM 536 CE LYS A 33 -6.726 8.789 5.994 1.00 14.15 C ATOM 537 NZ LYS A 33 -5.950 8.565 7.246 1.00 52.45 N ATOM 0 H LYS A 33 -12.295 7.869 5.305 1.00 35.21 H new ATOM 0 HA LYS A 33 -10.382 5.881 4.814 1.00 32.33 H new ATOM 0 HB2 LYS A 33 -10.619 8.429 6.271 1.00 52.22 H new ATOM 0 HB3 LYS A 33 -9.512 7.314 7.048 1.00 52.22 H new ATOM 0 HG2 LYS A 33 -9.102 7.418 4.147 1.00 43.44 H new ATOM 0 HG3 LYS A 33 -8.948 8.998 4.889 1.00 43.44 H new ATOM 0 HD2 LYS A 33 -7.613 6.887 6.449 1.00 31.11 H new ATOM 0 HD3 LYS A 33 -6.987 7.012 4.817 1.00 31.11 H new ATOM 0 HE2 LYS A 33 -6.044 9.058 5.187 1.00 14.15 H new ATOM 0 HE3 LYS A 33 -7.404 9.631 6.133 1.00 14.15 H new ATOM 0 HZ1 LYS A 33 -5.420 9.428 7.485 1.00 52.45 H new ATOM 0 HZ2 LYS A 33 -6.602 8.333 8.022 1.00 52.45 H new ATOM 0 HZ3 LYS A 33 -5.285 7.778 7.106 1.00 52.45 H new ATOM 551 N ARG A 34 -12.161 5.393 7.447 1.00 4.53 N ATOM 552 CA ARG A 34 -12.422 4.488 8.560 1.00 50.12 C ATOM 553 C ARG A 34 -12.757 3.088 8.054 1.00 14.10 C ATOM 554 O ARG A 34 -12.956 2.164 8.842 1.00 43.14 O ATOM 555 CB ARG A 34 -13.570 5.020 9.419 1.00 14.21 C ATOM 556 CG ARG A 34 -13.350 4.837 10.912 1.00 62.33 C ATOM 557 CD ARG A 34 -13.610 6.125 11.676 1.00 52.31 C ATOM 558 NE ARG A 34 -13.794 5.887 13.105 1.00 60.41 N ATOM 559 CZ ARG A 34 -14.156 6.830 13.967 1.00 4.21 C ATOM 560 NH1 ARG A 34 -14.372 8.069 13.547 1.00 4.11 N ATOM 561 NH2 ARG A 34 -14.302 6.535 15.252 1.00 14.25 N ATOM 0 H ARG A 34 -12.936 6.016 7.219 1.00 4.53 H new ATOM 0 HA ARG A 34 -11.519 4.430 9.168 1.00 50.12 H new ATOM 0 HB2 ARG A 34 -13.709 6.080 9.208 1.00 14.21 H new ATOM 0 HB3 ARG A 34 -14.492 4.514 9.132 1.00 14.21 H new ATOM 0 HG2 ARG A 34 -14.009 4.053 11.284 1.00 62.33 H new ATOM 0 HG3 ARG A 34 -12.327 4.506 11.092 1.00 62.33 H new ATOM 0 HD2 ARG A 34 -12.775 6.809 11.527 1.00 52.31 H new ATOM 0 HD3 ARG A 34 -14.497 6.613 11.273 1.00 52.31 H new ATOM 0 HE ARG A 34 -13.636 4.944 13.461 1.00 60.41 H new ATOM 0 HH11 ARG A 34 -14.260 8.300 12.560 1.00 4.11 H new ATOM 0 HH12 ARG A 34 -14.650 8.791 14.211 1.00 4.11 H new ATOM 0 HH21 ARG A 34 -14.136 5.583 15.579 1.00 14.25 H new ATOM 0 HH22 ARG A 34 -14.580 7.260 15.913 1.00 14.25 H new ATOM 575 N ASN A 35 -12.819 2.940 6.735 1.00 54.24 N ATOM 576 CA ASN A 35 -13.132 1.653 6.124 1.00 41.33 C ATOM 577 C ASN A 35 -12.165 1.343 4.985 1.00 21.52 C ATOM 578 O ASN A 35 -11.559 0.272 4.947 1.00 73.12 O ATOM 579 CB ASN A 35 -14.570 1.649 5.602 1.00 71.13 C ATOM 580 CG ASN A 35 -15.531 0.975 6.561 1.00 34.34 C ATOM 581 OD1 ASN A 35 -15.852 -0.204 6.410 1.00 33.22 O ATOM 582 ND2 ASN A 35 -15.996 1.722 7.556 1.00 51.22 N ATOM 0 H ASN A 35 -12.657 3.695 6.069 1.00 54.24 H new ATOM 0 HA ASN A 35 -13.027 0.881 6.887 1.00 41.33 H new ATOM 0 HB2 ASN A 35 -14.894 2.675 5.429 1.00 71.13 H new ATOM 0 HB3 ASN A 35 -14.603 1.138 4.640 1.00 71.13 H new ATOM 0 HD21 ASN A 35 -16.646 1.322 8.233 1.00 51.22 H new ATOM 0 HD22 ASN A 35 -15.703 2.695 7.643 1.00 51.22 H new ATOM 589 N MET A 36 -12.025 2.287 4.060 1.00 33.44 N ATOM 590 CA MET A 36 -11.130 2.114 2.922 1.00 55.21 C ATOM 591 C MET A 36 -10.227 3.331 2.751 1.00 11.43 C ATOM 592 O MET A 36 -10.421 4.159 1.860 1.00 35.33 O ATOM 593 CB MET A 36 -11.937 1.880 1.643 1.00 22.21 C ATOM 594 CG MET A 36 -11.074 1.710 0.403 1.00 30.12 C ATOM 595 SD MET A 36 -11.213 0.064 -0.320 1.00 33.02 S ATOM 596 CE MET A 36 -9.567 -0.151 -0.993 1.00 14.42 C ATOM 0 H MET A 36 -12.520 3.179 4.076 1.00 33.44 H new ATOM 0 HA MET A 36 -10.504 1.243 3.113 1.00 55.21 H new ATOM 0 HB2 MET A 36 -12.555 0.991 1.770 1.00 22.21 H new ATOM 0 HB3 MET A 36 -12.615 2.720 1.492 1.00 22.21 H new ATOM 0 HG2 MET A 36 -11.361 2.454 -0.340 1.00 30.12 H new ATOM 0 HG3 MET A 36 -10.033 1.903 0.661 1.00 30.12 H new ATOM 0 HE1 MET A 36 -9.495 -1.126 -1.475 1.00 14.42 H new ATOM 0 HE2 MET A 36 -9.368 0.631 -1.726 1.00 14.42 H new ATOM 0 HE3 MET A 36 -8.834 -0.089 -0.189 1.00 14.42 H new ATOM 606 N PRO A 37 -9.215 3.446 3.624 1.00 34.24 N ATOM 607 CA PRO A 37 -8.262 4.559 3.590 1.00 31.21 C ATOM 608 C PRO A 37 -7.338 4.494 2.378 1.00 35.15 C ATOM 609 O PRO A 37 -7.178 3.439 1.763 1.00 22.13 O ATOM 610 CB PRO A 37 -7.462 4.380 4.883 1.00 42.43 C ATOM 611 CG PRO A 37 -7.567 2.928 5.196 1.00 62.22 C ATOM 612 CD PRO A 37 -8.924 2.497 4.712 1.00 22.11 C ATOM 0 HA PRO A 37 -8.764 5.524 3.513 1.00 31.21 H new ATOM 0 HB2 PRO A 37 -6.423 4.682 4.751 1.00 42.43 H new ATOM 0 HB3 PRO A 37 -7.871 4.989 5.689 1.00 42.43 H new ATOM 0 HG2 PRO A 37 -6.778 2.364 4.699 1.00 62.22 H new ATOM 0 HG3 PRO A 37 -7.460 2.751 6.266 1.00 62.22 H new ATOM 0 HD2 PRO A 37 -8.915 1.467 4.355 1.00 22.11 H new ATOM 0 HD3 PRO A 37 -9.670 2.553 5.505 1.00 22.11 H new ATOM 620 N LEU A 38 -6.733 5.627 2.041 1.00 50.03 N ATOM 621 CA LEU A 38 -5.824 5.699 0.902 1.00 70.21 C ATOM 622 C LEU A 38 -4.391 5.946 1.364 1.00 74.05 C ATOM 623 O LEU A 38 -4.090 5.859 2.553 1.00 5.24 O ATOM 624 CB LEU A 38 -6.262 6.808 -0.056 1.00 62.02 C ATOM 625 CG LEU A 38 -6.708 6.356 -1.447 1.00 52.01 C ATOM 626 CD1 LEU A 38 -5.604 5.565 -2.131 1.00 72.40 C ATOM 627 CD2 LEU A 38 -7.982 5.529 -1.356 1.00 30.53 C ATOM 0 H LEU A 38 -6.855 6.508 2.540 1.00 50.03 H new ATOM 0 HA LEU A 38 -5.858 4.743 0.380 1.00 70.21 H new ATOM 0 HB2 LEU A 38 -7.083 7.357 0.406 1.00 62.02 H new ATOM 0 HB3 LEU A 38 -5.435 7.509 -0.171 1.00 62.02 H new ATOM 0 HG LEU A 38 -6.916 7.242 -2.047 1.00 52.01 H new ATOM 0 HD11 LEU A 38 -5.940 5.252 -3.120 1.00 72.40 H new ATOM 0 HD12 LEU A 38 -4.717 6.190 -2.230 1.00 72.40 H new ATOM 0 HD13 LEU A 38 -5.363 4.685 -1.534 1.00 72.40 H new ATOM 0 HD21 LEU A 38 -8.285 5.216 -2.355 1.00 30.53 H new ATOM 0 HD22 LEU A 38 -7.801 4.649 -0.739 1.00 30.53 H new ATOM 0 HD23 LEU A 38 -8.774 6.129 -0.908 1.00 30.53 H new ATOM 639 N GLN A 39 -3.514 6.256 0.414 1.00 14.11 N ATOM 640 CA GLN A 39 -2.114 6.517 0.724 1.00 1.55 C ATOM 641 C GLN A 39 -1.952 7.870 1.410 1.00 4.02 C ATOM 642 O GLN A 39 -1.164 8.012 2.346 1.00 51.24 O ATOM 643 CB GLN A 39 -1.270 6.474 -0.551 1.00 14.41 C ATOM 644 CG GLN A 39 -1.245 5.109 -1.218 1.00 32.42 C ATOM 645 CD GLN A 39 -1.013 3.981 -0.231 1.00 14.40 C ATOM 646 OE1 GLN A 39 -0.119 4.053 0.612 1.00 3.10 O ATOM 647 NE2 GLN A 39 -1.821 2.932 -0.330 1.00 64.34 N ATOM 0 H GLN A 39 -3.749 6.332 -0.576 1.00 14.11 H new ATOM 0 HA GLN A 39 -1.768 5.740 1.406 1.00 1.55 H new ATOM 0 HB2 GLN A 39 -1.657 7.208 -1.258 1.00 14.41 H new ATOM 0 HB3 GLN A 39 -0.249 6.771 -0.311 1.00 14.41 H new ATOM 0 HG2 GLN A 39 -2.190 4.945 -1.736 1.00 32.42 H new ATOM 0 HG3 GLN A 39 -0.460 5.093 -1.974 1.00 32.42 H new ATOM 0 HE21 GLN A 39 -2.549 2.915 -1.044 1.00 64.34 H new ATOM 0 HE22 GLN A 39 -1.714 2.144 0.308 1.00 64.34 H new ATOM 656 N SER A 40 -2.701 8.861 0.938 1.00 34.04 N ATOM 657 CA SER A 40 -2.637 10.204 1.503 1.00 35.35 C ATOM 658 C SER A 40 -3.870 11.015 1.116 1.00 11.34 C ATOM 659 O SER A 40 -4.770 11.224 1.931 1.00 43.22 O ATOM 660 CB SER A 40 -1.372 10.920 1.029 1.00 64.11 C ATOM 661 OG SER A 40 -0.219 10.390 1.660 1.00 2.11 O ATOM 0 H SER A 40 -3.359 8.759 0.166 1.00 34.04 H new ATOM 0 HA SER A 40 -2.609 10.114 2.589 1.00 35.35 H new ATOM 0 HB2 SER A 40 -1.277 10.820 -0.052 1.00 64.11 H new ATOM 0 HB3 SER A 40 -1.451 11.986 1.245 1.00 64.11 H new ATOM 0 HG SER A 40 -0.475 9.630 2.224 1.00 2.11 H new ATOM 667 N ILE A 41 -3.903 11.470 -0.132 1.00 32.23 N ATOM 668 CA ILE A 41 -5.025 12.257 -0.628 1.00 0.43 C ATOM 669 C ILE A 41 -5.771 11.516 -1.732 1.00 13.31 C ATOM 670 O ILE A 41 -5.378 11.530 -2.898 1.00 61.14 O ATOM 671 CB ILE A 41 -4.560 13.623 -1.166 1.00 4.44 C ATOM 672 CG1 ILE A 41 -3.361 13.447 -2.100 1.00 23.43 C ATOM 673 CG2 ILE A 41 -4.209 14.554 -0.015 1.00 5.25 C ATOM 674 CD1 ILE A 41 -3.453 14.272 -3.364 1.00 3.32 C ATOM 0 H ILE A 41 -3.166 11.307 -0.818 1.00 32.23 H new ATOM 0 HA ILE A 41 -5.696 12.417 0.216 1.00 0.43 H new ATOM 0 HB ILE A 41 -5.376 14.070 -1.734 1.00 4.44 H new ATOM 0 HG12 ILE A 41 -2.451 13.718 -1.565 1.00 23.43 H new ATOM 0 HG13 ILE A 41 -3.272 12.394 -2.369 1.00 23.43 H new ATOM 0 HG21 ILE A 41 -3.882 15.515 -0.411 1.00 5.25 H new ATOM 0 HG22 ILE A 41 -5.086 14.701 0.615 1.00 5.25 H new ATOM 0 HG23 ILE A 41 -3.407 14.114 0.577 1.00 5.25 H new ATOM 0 HD11 ILE A 41 -2.569 14.097 -3.978 1.00 3.32 H new ATOM 0 HD12 ILE A 41 -4.345 13.985 -3.922 1.00 3.32 H new ATOM 0 HD13 ILE A 41 -3.511 15.329 -3.105 1.00 3.32 H new ATOM 686 N PRO A 42 -6.876 10.854 -1.358 1.00 14.52 N ATOM 687 CA PRO A 42 -7.703 10.097 -2.302 1.00 71.01 C ATOM 688 C PRO A 42 -8.455 11.003 -3.271 1.00 13.45 C ATOM 689 O PRO A 42 -9.363 11.733 -2.873 1.00 42.33 O ATOM 690 CB PRO A 42 -8.685 9.352 -1.395 1.00 33.41 C ATOM 691 CG PRO A 42 -8.766 10.182 -0.161 1.00 1.03 C ATOM 692 CD PRO A 42 -7.404 10.795 0.016 1.00 52.14 C ATOM 0 HA PRO A 42 -7.104 9.442 -2.934 1.00 71.01 H new ATOM 0 HB2 PRO A 42 -9.662 9.250 -1.868 1.00 33.41 H new ATOM 0 HB3 PRO A 42 -8.332 8.345 -1.172 1.00 33.41 H new ATOM 0 HG2 PRO A 42 -9.531 10.952 -0.258 1.00 1.03 H new ATOM 0 HG3 PRO A 42 -9.035 9.573 0.702 1.00 1.03 H new ATOM 0 HD2 PRO A 42 -7.465 11.786 0.466 1.00 52.14 H new ATOM 0 HD3 PRO A 42 -6.771 10.189 0.664 1.00 52.14 H new ATOM 700 N GLU A 43 -8.072 10.951 -4.542 1.00 61.34 N ATOM 701 CA GLU A 43 -8.711 11.768 -5.567 1.00 12.23 C ATOM 702 C GLU A 43 -8.615 11.099 -6.935 1.00 11.40 C ATOM 703 O GLU A 43 -7.598 10.492 -7.271 1.00 4.54 O ATOM 704 CB GLU A 43 -8.068 13.156 -5.619 1.00 22.54 C ATOM 705 CG GLU A 43 -8.784 14.124 -6.545 1.00 1.35 C ATOM 706 CD GLU A 43 -8.083 15.465 -6.641 1.00 1.53 C ATOM 707 OE1 GLU A 43 -7.163 15.713 -5.833 1.00 20.41 O ATOM 708 OE2 GLU A 43 -8.454 16.268 -7.523 1.00 21.42 O ATOM 0 H GLU A 43 -7.322 10.352 -4.887 1.00 61.34 H new ATOM 0 HA GLU A 43 -9.764 11.873 -5.307 1.00 12.23 H new ATOM 0 HB2 GLU A 43 -8.048 13.576 -4.613 1.00 22.54 H new ATOM 0 HB3 GLU A 43 -7.032 13.055 -5.943 1.00 22.54 H new ATOM 0 HG2 GLU A 43 -8.856 13.684 -7.540 1.00 1.35 H new ATOM 0 HG3 GLU A 43 -9.803 14.275 -6.189 1.00 1.35 H new ATOM 715 N ILE A 44 -9.681 11.215 -7.719 1.00 72.15 N ATOM 716 CA ILE A 44 -9.717 10.622 -9.051 1.00 11.42 C ATOM 717 C ILE A 44 -10.624 11.419 -9.983 1.00 32.34 C ATOM 718 O ILE A 44 -11.770 11.715 -9.647 1.00 10.22 O ATOM 719 CB ILE A 44 -10.203 9.162 -9.004 1.00 33.20 C ATOM 720 CG1 ILE A 44 -9.186 8.286 -8.270 1.00 21.03 C ATOM 721 CG2 ILE A 44 -10.443 8.638 -10.412 1.00 63.11 C ATOM 722 CD1 ILE A 44 -7.851 8.191 -8.974 1.00 63.11 C ATOM 0 H ILE A 44 -10.531 11.714 -7.456 1.00 72.15 H new ATOM 0 HA ILE A 44 -8.697 10.644 -9.434 1.00 11.42 H new ATOM 0 HB ILE A 44 -11.146 9.126 -8.458 1.00 33.20 H new ATOM 0 HG12 ILE A 44 -9.031 8.685 -7.268 1.00 21.03 H new ATOM 0 HG13 ILE A 44 -9.599 7.284 -8.154 1.00 21.03 H new ATOM 0 HG21 ILE A 44 -10.786 7.605 -10.362 1.00 63.11 H new ATOM 0 HG22 ILE A 44 -11.201 9.249 -10.903 1.00 63.11 H new ATOM 0 HG23 ILE A 44 -9.514 8.685 -10.981 1.00 63.11 H new ATOM 0 HD11 ILE A 44 -7.180 7.555 -8.397 1.00 63.11 H new ATOM 0 HD12 ILE A 44 -7.993 7.764 -9.967 1.00 63.11 H new ATOM 0 HD13 ILE A 44 -7.417 9.186 -9.066 1.00 63.11 H new ATOM 734 N GLY A 45 -10.103 11.761 -11.157 1.00 52.11 N ATOM 735 CA GLY A 45 -10.880 12.518 -12.121 1.00 11.52 C ATOM 736 C GLY A 45 -10.707 14.015 -11.957 1.00 14.44 C ATOM 737 O GLY A 45 -9.931 14.640 -12.678 1.00 24.04 O ATOM 0 H GLY A 45 -9.157 11.527 -11.458 1.00 52.11 H new ATOM 0 HA2 GLY A 45 -10.583 12.229 -13.129 1.00 11.52 H new ATOM 0 HA3 GLY A 45 -11.934 12.263 -12.014 1.00 11.52 H new ATOM 741 N ASN A 46 -11.435 14.593 -11.006 1.00 21.21 N ATOM 742 CA ASN A 46 -11.360 16.027 -10.751 1.00 30.21 C ATOM 743 C ASN A 46 -12.284 16.424 -9.604 1.00 2.34 C ATOM 744 O ASN A 46 -12.812 17.536 -9.575 1.00 71.12 O ATOM 745 CB ASN A 46 -11.729 16.810 -12.012 1.00 41.14 C ATOM 746 CG ASN A 46 -10.707 17.878 -12.349 1.00 45.24 C ATOM 747 OD1 ASN A 46 -10.359 18.708 -11.509 1.00 12.01 O ATOM 748 ND2 ASN A 46 -10.219 17.862 -13.585 1.00 34.04 N ATOM 0 H ASN A 46 -12.083 14.090 -10.400 1.00 21.21 H new ATOM 0 HA ASN A 46 -10.335 16.268 -10.469 1.00 30.21 H new ATOM 0 HB2 ASN A 46 -11.820 16.120 -12.851 1.00 41.14 H new ATOM 0 HB3 ASN A 46 -12.705 17.275 -11.875 1.00 41.14 H new ATOM 0 HD21 ASN A 46 -9.528 18.556 -13.869 1.00 34.04 H new ATOM 0 HD22 ASN A 46 -10.536 17.156 -14.249 1.00 34.04 H new ATOM 755 N ARG A 47 -12.473 15.509 -8.659 1.00 72.53 N ATOM 756 CA ARG A 47 -13.333 15.763 -7.510 1.00 33.11 C ATOM 757 C ARG A 47 -14.769 16.030 -7.953 1.00 45.45 C ATOM 758 O ARG A 47 -15.067 17.077 -8.529 1.00 73.02 O ATOM 759 CB ARG A 47 -12.807 16.953 -6.705 1.00 64.33 C ATOM 760 CG ARG A 47 -12.483 16.615 -5.259 1.00 71.32 C ATOM 761 CD ARG A 47 -10.991 16.719 -4.983 1.00 73.21 C ATOM 762 NE ARG A 47 -10.687 17.763 -4.008 1.00 64.24 N ATOM 763 CZ ARG A 47 -10.598 19.052 -4.316 1.00 0.01 C ATOM 764 NH1 ARG A 47 -10.790 19.454 -5.565 1.00 34.14 N ATOM 765 NH2 ARG A 47 -10.317 19.942 -3.373 1.00 41.40 N ATOM 0 H ARG A 47 -12.042 14.585 -8.667 1.00 72.53 H new ATOM 0 HA ARG A 47 -13.325 14.874 -6.879 1.00 33.11 H new ATOM 0 HB2 ARG A 47 -11.910 17.340 -7.189 1.00 64.33 H new ATOM 0 HB3 ARG A 47 -13.549 17.751 -6.725 1.00 64.33 H new ATOM 0 HG2 ARG A 47 -13.025 17.290 -4.596 1.00 71.32 H new ATOM 0 HG3 ARG A 47 -12.826 15.605 -5.035 1.00 71.32 H new ATOM 0 HD2 ARG A 47 -10.623 15.761 -4.616 1.00 73.21 H new ATOM 0 HD3 ARG A 47 -10.464 16.927 -5.914 1.00 73.21 H new ATOM 0 HE ARG A 47 -10.535 17.487 -3.038 1.00 64.24 H new ATOM 0 HH11 ARG A 47 -11.007 18.773 -6.292 1.00 34.14 H new ATOM 0 HH12 ARG A 47 -10.721 20.445 -5.798 1.00 34.14 H new ATOM 0 HH21 ARG A 47 -10.169 19.636 -2.411 1.00 41.40 H new ATOM 0 HH22 ARG A 47 -10.249 20.932 -3.610 1.00 41.40 H new ATOM 779 N LYS A 48 -15.654 15.077 -7.682 1.00 45.22 N ATOM 780 CA LYS A 48 -17.058 15.209 -8.052 1.00 22.31 C ATOM 781 C LYS A 48 -17.965 14.735 -6.921 1.00 2.03 C ATOM 782 O LYS A 48 -19.174 14.587 -7.103 1.00 2.54 O ATOM 783 CB LYS A 48 -17.349 14.407 -9.323 1.00 11.42 C ATOM 784 CG LYS A 48 -16.795 15.046 -10.585 1.00 14.23 C ATOM 785 CD LYS A 48 -16.380 13.999 -11.604 1.00 24.52 C ATOM 786 CE LYS A 48 -15.056 14.356 -12.263 1.00 13.32 C ATOM 787 NZ LYS A 48 -15.252 15.165 -13.498 1.00 75.40 N ATOM 0 H LYS A 48 -15.424 14.204 -7.207 1.00 45.22 H new ATOM 0 HA LYS A 48 -17.261 16.263 -8.240 1.00 22.31 H new ATOM 0 HB2 LYS A 48 -16.927 13.408 -9.217 1.00 11.42 H new ATOM 0 HB3 LYS A 48 -18.427 14.288 -9.429 1.00 11.42 H new ATOM 0 HG2 LYS A 48 -17.548 15.702 -11.022 1.00 14.23 H new ATOM 0 HG3 LYS A 48 -15.937 15.669 -10.332 1.00 14.23 H new ATOM 0 HD2 LYS A 48 -16.294 13.028 -11.116 1.00 24.52 H new ATOM 0 HD3 LYS A 48 -17.153 13.905 -12.366 1.00 24.52 H new ATOM 0 HE2 LYS A 48 -14.438 14.913 -11.558 1.00 13.32 H new ATOM 0 HE3 LYS A 48 -14.515 13.442 -12.509 1.00 13.32 H new ATOM 0 HZ1 LYS A 48 -14.327 15.388 -13.917 1.00 75.40 H new ATOM 0 HZ2 LYS A 48 -15.820 14.624 -14.181 1.00 75.40 H new ATOM 0 HZ3 LYS A 48 -15.746 16.049 -13.259 1.00 75.40 H new ATOM 801 N ILE A 49 -17.374 14.500 -5.754 1.00 32.01 N ATOM 802 CA ILE A 49 -18.130 14.046 -4.593 1.00 72.13 C ATOM 803 C ILE A 49 -18.731 15.224 -3.833 1.00 64.41 C ATOM 804 O ILE A 49 -19.394 15.043 -2.813 1.00 52.51 O ATOM 805 CB ILE A 49 -17.249 13.225 -3.633 1.00 41.23 C ATOM 806 CG1 ILE A 49 -16.366 12.255 -4.420 1.00 63.14 C ATOM 807 CG2 ILE A 49 -18.114 12.471 -2.634 1.00 42.22 C ATOM 808 CD1 ILE A 49 -14.918 12.686 -4.502 1.00 30.23 C ATOM 0 H ILE A 49 -16.374 14.616 -5.588 1.00 32.01 H new ATOM 0 HA ILE A 49 -18.933 13.411 -4.968 1.00 72.13 H new ATOM 0 HB ILE A 49 -16.603 13.909 -3.082 1.00 41.23 H new ATOM 0 HG12 ILE A 49 -16.418 11.271 -3.955 1.00 63.14 H new ATOM 0 HG13 ILE A 49 -16.764 12.152 -5.430 1.00 63.14 H new ATOM 0 HG21 ILE A 49 -17.477 11.896 -1.963 1.00 42.22 H new ATOM 0 HG22 ILE A 49 -18.704 13.181 -2.055 1.00 42.22 H new ATOM 0 HG23 ILE A 49 -18.782 11.795 -3.168 1.00 42.22 H new ATOM 0 HD11 ILE A 49 -14.352 11.951 -5.074 1.00 30.23 H new ATOM 0 HD12 ILE A 49 -14.855 13.656 -4.994 1.00 30.23 H new ATOM 0 HD13 ILE A 49 -14.503 12.761 -3.497 1.00 30.23 H new ATOM 820 N ASN A 50 -18.494 16.430 -4.339 1.00 22.33 N ATOM 821 CA ASN A 50 -19.012 17.638 -3.708 1.00 13.11 C ATOM 822 C ASN A 50 -20.509 17.786 -3.964 1.00 40.34 C ATOM 823 O ASN A 50 -21.031 17.290 -4.964 1.00 30.35 O ATOM 824 CB ASN A 50 -18.270 18.870 -4.230 1.00 23.21 C ATOM 825 CG ASN A 50 -18.663 20.137 -3.495 1.00 24.45 C ATOM 826 OD1 ASN A 50 -18.832 20.133 -2.275 1.00 72.52 O ATOM 827 ND2 ASN A 50 -18.810 21.229 -4.235 1.00 64.01 N ATOM 0 H ASN A 50 -17.947 16.596 -5.184 1.00 22.33 H new ATOM 0 HA ASN A 50 -18.851 17.554 -2.633 1.00 13.11 H new ATOM 0 HB2 ASN A 50 -17.196 18.713 -4.130 1.00 23.21 H new ATOM 0 HB3 ASN A 50 -18.476 18.991 -5.293 1.00 23.21 H new ATOM 0 HD21 ASN A 50 -19.073 22.111 -3.796 1.00 64.01 H new ATOM 0 HD22 ASN A 50 -18.660 21.186 -5.243 1.00 64.01 H new ATOM 834 N LEU A 51 -21.194 18.473 -3.057 1.00 21.24 N ATOM 835 CA LEU A 51 -22.631 18.688 -3.184 1.00 72.30 C ATOM 836 C LEU A 51 -22.937 19.675 -4.306 1.00 62.32 C ATOM 837 O LEU A 51 -24.048 19.704 -4.836 1.00 1.12 O ATOM 838 CB LEU A 51 -23.209 19.203 -1.865 1.00 3.23 C ATOM 839 CG LEU A 51 -24.406 18.431 -1.309 1.00 2.32 C ATOM 840 CD1 LEU A 51 -25.526 18.372 -2.336 1.00 31.14 C ATOM 841 CD2 LEU A 51 -23.988 17.029 -0.890 1.00 75.04 C ATOM 0 H LEU A 51 -20.777 18.891 -2.225 1.00 21.24 H new ATOM 0 HA LEU A 51 -23.096 17.733 -3.428 1.00 72.30 H new ATOM 0 HB2 LEU A 51 -22.417 19.194 -1.116 1.00 3.23 H new ATOM 0 HB3 LEU A 51 -23.505 20.243 -2.003 1.00 3.23 H new ATOM 0 HG LEU A 51 -24.776 18.956 -0.428 1.00 2.32 H new ATOM 0 HD11 LEU A 51 -26.370 17.819 -1.923 1.00 31.14 H new ATOM 0 HD12 LEU A 51 -25.844 19.384 -2.587 1.00 31.14 H new ATOM 0 HD13 LEU A 51 -25.169 17.871 -3.236 1.00 31.14 H new ATOM 0 HD21 LEU A 51 -24.852 16.494 -0.497 1.00 75.04 H new ATOM 0 HD22 LEU A 51 -23.592 16.494 -1.753 1.00 75.04 H new ATOM 0 HD23 LEU A 51 -23.220 17.093 -0.119 1.00 75.04 H new ATOM 853 N PHE A 52 -21.943 20.480 -4.665 1.00 40.44 N ATOM 854 CA PHE A 52 -22.105 21.468 -5.726 1.00 1.21 C ATOM 855 C PHE A 52 -21.583 20.930 -7.055 1.00 35.30 C ATOM 856 O PHE A 52 -22.131 21.230 -8.116 1.00 64.34 O ATOM 857 CB PHE A 52 -21.372 22.761 -5.364 1.00 3.43 C ATOM 858 CG PHE A 52 -22.243 23.983 -5.428 1.00 72.13 C ATOM 859 CD1 PHE A 52 -22.991 24.258 -6.562 1.00 64.20 C ATOM 860 CD2 PHE A 52 -22.315 24.857 -4.355 1.00 64.42 C ATOM 861 CE1 PHE A 52 -23.794 25.381 -6.625 1.00 30.14 C ATOM 862 CE2 PHE A 52 -23.116 25.981 -4.412 1.00 34.11 C ATOM 863 CZ PHE A 52 -23.856 26.244 -5.548 1.00 50.03 C ATOM 0 H PHE A 52 -21.017 20.468 -4.237 1.00 40.44 H new ATOM 0 HA PHE A 52 -23.169 21.679 -5.832 1.00 1.21 H new ATOM 0 HB2 PHE A 52 -20.964 22.668 -4.358 1.00 3.43 H new ATOM 0 HB3 PHE A 52 -20.527 22.891 -6.040 1.00 3.43 H new ATOM 0 HD1 PHE A 52 -22.946 23.587 -7.407 1.00 64.20 H new ATOM 0 HD2 PHE A 52 -21.738 24.657 -3.464 1.00 64.42 H new ATOM 0 HE1 PHE A 52 -24.372 25.584 -7.515 1.00 30.14 H new ATOM 0 HE2 PHE A 52 -23.164 26.654 -3.569 1.00 34.11 H new ATOM 0 HZ PHE A 52 -24.482 27.123 -5.594 1.00 50.03 H new ATOM 873 N TYR A 53 -20.522 20.134 -6.988 1.00 73.42 N ATOM 874 CA TYR A 53 -19.924 19.555 -8.186 1.00 11.25 C ATOM 875 C TYR A 53 -20.805 18.447 -8.754 1.00 14.11 C ATOM 876 O TYR A 53 -21.136 18.448 -9.940 1.00 73.55 O ATOM 877 CB TYR A 53 -18.532 19.004 -7.871 1.00 14.24 C ATOM 878 CG TYR A 53 -17.613 18.959 -9.070 1.00 52.33 C ATOM 879 CD1 TYR A 53 -17.974 18.269 -10.221 1.00 31.11 C ATOM 880 CD2 TYR A 53 -16.384 19.606 -9.053 1.00 42.10 C ATOM 881 CE1 TYR A 53 -17.137 18.224 -11.319 1.00 53.43 C ATOM 882 CE2 TYR A 53 -15.541 19.568 -10.147 1.00 54.22 C ATOM 883 CZ TYR A 53 -15.922 18.876 -11.278 1.00 34.03 C ATOM 884 OH TYR A 53 -15.085 18.835 -12.369 1.00 74.32 O ATOM 0 H TYR A 53 -20.058 19.875 -6.117 1.00 73.42 H new ATOM 0 HA TYR A 53 -19.835 20.343 -8.934 1.00 11.25 H new ATOM 0 HB2 TYR A 53 -18.074 19.618 -7.096 1.00 14.24 H new ATOM 0 HB3 TYR A 53 -18.632 17.998 -7.463 1.00 14.24 H new ATOM 0 HD1 TYR A 53 -18.925 17.759 -10.258 1.00 31.11 H new ATOM 0 HD2 TYR A 53 -16.082 20.148 -8.169 1.00 42.10 H new ATOM 0 HE1 TYR A 53 -17.432 17.681 -12.205 1.00 53.43 H new ATOM 0 HE2 TYR A 53 -14.589 20.077 -10.117 1.00 54.22 H new ATOM 0 HH TYR A 53 -14.271 19.345 -12.176 1.00 74.32 H new ATOM 894 N LEU A 54 -21.183 17.503 -7.899 1.00 10.44 N ATOM 895 CA LEU A 54 -22.027 16.388 -8.313 1.00 52.24 C ATOM 896 C LEU A 54 -23.375 16.886 -8.826 1.00 3.52 C ATOM 897 O LEU A 54 -23.975 16.281 -9.714 1.00 31.32 O ATOM 898 CB LEU A 54 -22.238 15.421 -7.147 1.00 51.30 C ATOM 899 CG LEU A 54 -22.351 13.941 -7.514 1.00 53.32 C ATOM 900 CD1 LEU A 54 -22.073 13.067 -6.301 1.00 44.51 C ATOM 901 CD2 LEU A 54 -23.728 13.638 -8.088 1.00 21.25 C ATOM 0 H LEU A 54 -20.918 17.488 -6.914 1.00 10.44 H new ATOM 0 HA LEU A 54 -21.521 15.864 -9.124 1.00 52.24 H new ATOM 0 HB2 LEU A 54 -21.409 15.539 -6.449 1.00 51.30 H new ATOM 0 HB3 LEU A 54 -23.145 15.714 -6.618 1.00 51.30 H new ATOM 0 HG LEU A 54 -21.604 13.717 -8.276 1.00 53.32 H new ATOM 0 HD11 LEU A 54 -22.158 12.017 -6.582 1.00 44.51 H new ATOM 0 HD12 LEU A 54 -21.066 13.264 -5.934 1.00 44.51 H new ATOM 0 HD13 LEU A 54 -22.796 13.293 -5.517 1.00 44.51 H new ATOM 0 HD21 LEU A 54 -23.791 12.580 -8.344 1.00 21.25 H new ATOM 0 HD22 LEU A 54 -24.492 13.879 -7.348 1.00 21.25 H new ATOM 0 HD23 LEU A 54 -23.889 14.238 -8.984 1.00 21.25 H new ATOM 913 N TYR A 55 -23.843 17.994 -8.262 1.00 40.42 N ATOM 914 CA TYR A 55 -25.120 18.574 -8.662 1.00 3.32 C ATOM 915 C TYR A 55 -25.004 19.266 -10.017 1.00 23.41 C ATOM 916 O TYR A 55 -25.825 19.050 -10.908 1.00 43.40 O ATOM 917 CB TYR A 55 -25.603 19.572 -7.608 1.00 22.13 C ATOM 918 CG TYR A 55 -27.025 20.038 -7.822 1.00 32.22 C ATOM 919 CD1 TYR A 55 -28.082 19.135 -7.811 1.00 44.11 C ATOM 920 CD2 TYR A 55 -27.313 21.380 -8.036 1.00 2.02 C ATOM 921 CE1 TYR A 55 -29.383 19.556 -8.007 1.00 23.11 C ATOM 922 CE2 TYR A 55 -28.611 21.810 -8.231 1.00 40.11 C ATOM 923 CZ TYR A 55 -29.642 20.894 -8.216 1.00 54.40 C ATOM 924 OH TYR A 55 -30.937 21.319 -8.412 1.00 23.54 O ATOM 0 H TYR A 55 -23.358 18.508 -7.527 1.00 40.42 H new ATOM 0 HA TYR A 55 -25.846 17.765 -8.748 1.00 3.32 H new ATOM 0 HB2 TYR A 55 -25.524 19.113 -6.622 1.00 22.13 H new ATOM 0 HB3 TYR A 55 -24.941 20.438 -7.610 1.00 22.13 H new ATOM 0 HD1 TYR A 55 -27.883 18.086 -7.646 1.00 44.11 H new ATOM 0 HD2 TYR A 55 -26.508 22.100 -8.050 1.00 2.02 H new ATOM 0 HE1 TYR A 55 -30.193 18.841 -7.997 1.00 23.11 H new ATOM 0 HE2 TYR A 55 -28.817 22.857 -8.394 1.00 40.11 H new ATOM 0 HH TYR A 55 -30.946 22.290 -8.543 1.00 23.54 H new ATOM 934 N MET A 56 -23.977 20.097 -10.164 1.00 31.41 N ATOM 935 CA MET A 56 -23.751 20.819 -11.411 1.00 34.34 C ATOM 936 C MET A 56 -23.571 19.850 -12.575 1.00 23.00 C ATOM 937 O MET A 56 -24.051 20.097 -13.682 1.00 0.41 O ATOM 938 CB MET A 56 -22.522 21.721 -11.287 1.00 61.20 C ATOM 939 CG MET A 56 -22.349 22.676 -12.457 1.00 10.13 C ATOM 940 SD MET A 56 -21.147 23.977 -12.119 1.00 60.02 S ATOM 941 CE MET A 56 -22.170 25.169 -11.259 1.00 35.21 C ATOM 0 H MET A 56 -23.289 20.287 -9.436 1.00 31.41 H new ATOM 0 HA MET A 56 -24.627 21.437 -11.609 1.00 34.34 H new ATOM 0 HB2 MET A 56 -22.597 22.298 -10.365 1.00 61.20 H new ATOM 0 HB3 MET A 56 -21.631 21.098 -11.202 1.00 61.20 H new ATOM 0 HG2 MET A 56 -22.033 22.114 -13.336 1.00 10.13 H new ATOM 0 HG3 MET A 56 -23.311 23.129 -12.697 1.00 10.13 H new ATOM 0 HE1 MET A 56 -21.567 26.034 -10.983 1.00 35.21 H new ATOM 0 HE2 MET A 56 -22.984 25.487 -11.910 1.00 35.21 H new ATOM 0 HE3 MET A 56 -22.582 24.713 -10.359 1.00 35.21 H new ATOM 951 N LEU A 57 -22.876 18.747 -12.319 1.00 2.23 N ATOM 952 CA LEU A 57 -22.632 17.741 -13.346 1.00 65.21 C ATOM 953 C LEU A 57 -23.939 17.106 -13.808 1.00 72.04 C ATOM 954 O LEU A 57 -24.198 16.994 -15.007 1.00 4.21 O ATOM 955 CB LEU A 57 -21.687 16.661 -12.816 1.00 23.03 C ATOM 956 CG LEU A 57 -20.979 15.811 -13.871 1.00 44.24 C ATOM 957 CD1 LEU A 57 -19.593 15.408 -13.391 1.00 12.12 C ATOM 958 CD2 LEU A 57 -21.807 14.580 -14.209 1.00 12.22 C ATOM 0 H LEU A 57 -22.472 18.527 -11.409 1.00 2.23 H new ATOM 0 HA LEU A 57 -22.168 18.235 -14.200 1.00 65.21 H new ATOM 0 HB2 LEU A 57 -20.929 17.142 -12.197 1.00 23.03 H new ATOM 0 HB3 LEU A 57 -22.256 15.997 -12.165 1.00 23.03 H new ATOM 0 HG LEU A 57 -20.868 16.409 -14.776 1.00 44.24 H new ATOM 0 HD11 LEU A 57 -19.105 14.804 -14.155 1.00 12.12 H new ATOM 0 HD12 LEU A 57 -18.999 16.302 -13.201 1.00 12.12 H new ATOM 0 HD13 LEU A 57 -19.680 14.829 -12.472 1.00 12.12 H new ATOM 0 HD21 LEU A 57 -21.287 13.987 -14.962 1.00 12.22 H new ATOM 0 HD22 LEU A 57 -21.951 13.980 -13.310 1.00 12.22 H new ATOM 0 HD23 LEU A 57 -22.777 14.890 -14.598 1.00 12.22 H new ATOM 970 N VAL A 58 -24.762 16.693 -12.850 1.00 12.44 N ATOM 971 CA VAL A 58 -26.045 16.073 -13.158 1.00 31.11 C ATOM 972 C VAL A 58 -26.925 17.008 -13.980 1.00 4.42 C ATOM 973 O VAL A 58 -27.475 16.615 -15.008 1.00 24.51 O ATOM 974 CB VAL A 58 -26.798 15.673 -11.875 1.00 50.30 C ATOM 975 CG1 VAL A 58 -28.162 15.093 -12.215 1.00 71.32 C ATOM 976 CG2 VAL A 58 -25.976 14.685 -11.062 1.00 34.34 C ATOM 0 H VAL A 58 -24.563 16.777 -11.853 1.00 12.44 H new ATOM 0 HA VAL A 58 -25.831 15.176 -13.739 1.00 31.11 H new ATOM 0 HB VAL A 58 -26.951 16.567 -11.270 1.00 50.30 H new ATOM 0 HG11 VAL A 58 -28.679 14.816 -11.296 1.00 71.32 H new ATOM 0 HG12 VAL A 58 -28.750 15.837 -12.752 1.00 71.32 H new ATOM 0 HG13 VAL A 58 -28.036 14.209 -12.841 1.00 71.32 H new ATOM 0 HG21 VAL A 58 -26.523 14.413 -10.159 1.00 34.34 H new ATOM 0 HG22 VAL A 58 -25.790 13.791 -11.657 1.00 34.34 H new ATOM 0 HG23 VAL A 58 -25.026 15.142 -10.787 1.00 34.34 H new ATOM 986 N GLN A 59 -27.052 18.249 -13.519 1.00 62.34 N ATOM 987 CA GLN A 59 -27.865 19.241 -14.213 1.00 32.43 C ATOM 988 C GLN A 59 -27.372 19.447 -15.641 1.00 72.32 C ATOM 989 O GLN A 59 -28.163 19.681 -16.555 1.00 35.31 O ATOM 990 CB GLN A 59 -27.842 20.570 -13.456 1.00 25.43 C ATOM 991 CG GLN A 59 -29.085 21.417 -13.674 1.00 62.44 C ATOM 992 CD GLN A 59 -29.441 22.254 -12.462 1.00 35.31 C ATOM 993 OE1 GLN A 59 -30.444 22.002 -11.793 1.00 12.42 O ATOM 994 NE2 GLN A 59 -28.620 23.256 -12.172 1.00 31.12 N ATOM 0 H GLN A 59 -26.603 18.591 -12.669 1.00 62.34 H new ATOM 0 HA GLN A 59 -28.889 18.871 -14.252 1.00 32.43 H new ATOM 0 HB2 GLN A 59 -27.732 20.369 -12.390 1.00 25.43 H new ATOM 0 HB3 GLN A 59 -26.966 21.140 -13.766 1.00 25.43 H new ATOM 0 HG2 GLN A 59 -28.927 22.073 -14.530 1.00 62.44 H new ATOM 0 HG3 GLN A 59 -29.924 20.767 -13.921 1.00 62.44 H new ATOM 0 HE21 GLN A 59 -27.800 23.428 -12.754 1.00 31.12 H new ATOM 0 HE22 GLN A 59 -28.809 23.853 -11.367 1.00 31.12 H new ATOM 1003 N LYS A 60 -26.060 19.359 -15.827 1.00 65.32 N ATOM 1004 CA LYS A 60 -25.459 19.534 -17.144 1.00 55.34 C ATOM 1005 C LYS A 60 -25.765 18.342 -18.045 1.00 23.52 C ATOM 1006 O LYS A 60 -25.955 18.495 -19.252 1.00 33.35 O ATOM 1007 CB LYS A 60 -23.945 19.717 -17.018 1.00 33.24 C ATOM 1008 CG LYS A 60 -23.423 20.964 -17.710 1.00 21.14 C ATOM 1009 CD LYS A 60 -24.033 22.225 -17.121 1.00 40.15 C ATOM 1010 CE LYS A 60 -24.954 22.915 -18.116 1.00 42.12 C ATOM 1011 NZ LYS A 60 -24.208 23.845 -19.009 1.00 74.35 N ATOM 0 H LYS A 60 -25.391 19.167 -15.081 1.00 65.32 H new ATOM 0 HA LYS A 60 -25.890 20.428 -17.595 1.00 55.34 H new ATOM 0 HB2 LYS A 60 -23.679 19.760 -15.962 1.00 33.24 H new ATOM 0 HB3 LYS A 60 -23.446 18.843 -17.437 1.00 33.24 H new ATOM 0 HG2 LYS A 60 -22.338 21.006 -17.617 1.00 21.14 H new ATOM 0 HG3 LYS A 60 -23.650 20.912 -18.775 1.00 21.14 H new ATOM 0 HD2 LYS A 60 -24.592 21.973 -16.220 1.00 40.15 H new ATOM 0 HD3 LYS A 60 -23.239 22.910 -16.823 1.00 40.15 H new ATOM 0 HE2 LYS A 60 -25.465 22.164 -18.719 1.00 42.12 H new ATOM 0 HE3 LYS A 60 -25.723 23.468 -17.576 1.00 42.12 H new ATOM 0 HZ1 LYS A 60 -24.870 24.295 -19.672 1.00 74.35 H new ATOM 0 HZ2 LYS A 60 -23.741 24.576 -18.436 1.00 74.35 H new ATOM 0 HZ3 LYS A 60 -23.491 23.313 -19.543 1.00 74.35 H new ATOM 1025 N PHE A 61 -25.811 17.154 -17.450 1.00 70.15 N ATOM 1026 CA PHE A 61 -26.094 15.935 -18.199 1.00 61.21 C ATOM 1027 C PHE A 61 -27.579 15.834 -18.534 1.00 13.34 C ATOM 1028 O PHE A 61 -27.997 14.966 -19.298 1.00 72.12 O ATOM 1029 CB PHE A 61 -25.655 14.706 -17.399 1.00 54.42 C ATOM 1030 CG PHE A 61 -24.221 14.324 -17.627 1.00 21.33 C ATOM 1031 CD1 PHE A 61 -23.207 15.252 -17.453 1.00 24.53 C ATOM 1032 CD2 PHE A 61 -23.887 13.036 -18.014 1.00 4.11 C ATOM 1033 CE1 PHE A 61 -21.886 14.902 -17.662 1.00 40.02 C ATOM 1034 CE2 PHE A 61 -22.568 12.681 -18.224 1.00 64.45 C ATOM 1035 CZ PHE A 61 -21.566 13.615 -18.047 1.00 61.23 C ATOM 0 H PHE A 61 -25.656 17.010 -16.452 1.00 70.15 H new ATOM 0 HA PHE A 61 -25.531 15.973 -19.132 1.00 61.21 H new ATOM 0 HB2 PHE A 61 -25.807 14.900 -16.337 1.00 54.42 H new ATOM 0 HB3 PHE A 61 -26.294 13.863 -17.663 1.00 54.42 H new ATOM 0 HD1 PHE A 61 -23.451 16.260 -17.151 1.00 24.53 H new ATOM 0 HD2 PHE A 61 -24.666 12.301 -18.153 1.00 4.11 H new ATOM 0 HE1 PHE A 61 -21.105 15.635 -17.524 1.00 40.02 H new ATOM 0 HE2 PHE A 61 -22.321 11.674 -18.526 1.00 64.45 H new ATOM 0 HZ PHE A 61 -20.534 13.339 -18.209 1.00 61.23 H new ATOM 1045 N GLY A 62 -28.372 16.730 -17.954 1.00 15.15 N ATOM 1046 CA GLY A 62 -29.802 16.725 -18.201 1.00 54.20 C ATOM 1047 C GLY A 62 -30.580 16.044 -17.093 1.00 33.42 C ATOM 1048 O GLY A 62 -31.707 15.596 -17.301 1.00 31.34 O ATOM 0 H GLY A 62 -28.050 17.459 -17.318 1.00 15.15 H new ATOM 0 HA2 GLY A 62 -30.152 17.752 -18.309 1.00 54.20 H new ATOM 0 HA3 GLY A 62 -30.003 16.219 -19.145 1.00 54.20 H new ATOM 1052 N GLY A 63 -29.977 15.963 -15.911 1.00 5.11 N ATOM 1053 CA GLY A 63 -30.634 15.328 -14.784 1.00 30.02 C ATOM 1054 C GLY A 63 -30.238 13.873 -14.626 1.00 52.31 C ATOM 1055 O GLY A 63 -29.823 13.228 -15.588 1.00 54.24 O ATOM 0 H GLY A 63 -29.044 16.326 -15.714 1.00 5.11 H new ATOM 0 HA2 GLY A 63 -30.387 15.870 -13.871 1.00 30.02 H new ATOM 0 HA3 GLY A 63 -31.714 15.395 -14.912 1.00 30.02 H new ATOM 1059 N ALA A 64 -30.365 13.356 -13.408 1.00 62.15 N ATOM 1060 CA ALA A 64 -30.017 11.968 -13.128 1.00 54.32 C ATOM 1061 C ALA A 64 -30.704 11.022 -14.107 1.00 43.04 C ATOM 1062 O ALA A 64 -30.151 9.984 -14.473 1.00 53.43 O ATOM 1063 CB ALA A 64 -30.389 11.610 -11.697 1.00 3.02 C ATOM 0 H ALA A 64 -30.706 13.877 -12.600 1.00 62.15 H new ATOM 0 HA ALA A 64 -28.940 11.857 -13.251 1.00 54.32 H new ATOM 0 HB1 ALA A 64 -30.124 10.571 -11.501 1.00 3.02 H new ATOM 0 HB2 ALA A 64 -29.849 12.259 -11.007 1.00 3.02 H new ATOM 0 HB3 ALA A 64 -31.462 11.744 -11.556 1.00 3.02 H new ATOM 1069 N ASP A 65 -31.910 11.386 -14.527 1.00 53.04 N ATOM 1070 CA ASP A 65 -32.672 10.569 -15.465 1.00 12.21 C ATOM 1071 C ASP A 65 -31.958 10.477 -16.810 1.00 15.10 C ATOM 1072 O ASP A 65 -31.975 9.433 -17.461 1.00 54.24 O ATOM 1073 CB ASP A 65 -34.075 11.149 -15.656 1.00 63.34 C ATOM 1074 CG ASP A 65 -34.691 11.616 -14.352 1.00 72.54 C ATOM 1075 OD1 ASP A 65 -34.314 12.706 -13.875 1.00 24.31 O ATOM 1076 OD2 ASP A 65 -35.551 10.890 -13.809 1.00 4.32 O ATOM 0 H ASP A 65 -32.382 12.241 -14.233 1.00 53.04 H new ATOM 0 HA ASP A 65 -32.756 9.565 -15.050 1.00 12.21 H new ATOM 0 HB2 ASP A 65 -34.027 11.986 -16.352 1.00 63.34 H new ATOM 0 HB3 ASP A 65 -34.718 10.394 -16.109 1.00 63.34 H new ATOM 1081 N GLN A 66 -31.334 11.577 -17.219 1.00 64.51 N ATOM 1082 CA GLN A 66 -30.616 11.619 -18.488 1.00 2.44 C ATOM 1083 C GLN A 66 -29.364 10.750 -18.434 1.00 43.41 C ATOM 1084 O GLN A 66 -29.009 10.093 -19.413 1.00 13.10 O ATOM 1085 CB GLN A 66 -30.237 13.060 -18.835 1.00 4.13 C ATOM 1086 CG GLN A 66 -30.150 13.323 -20.329 1.00 52.24 C ATOM 1087 CD GLN A 66 -30.918 14.561 -20.750 1.00 32.25 C ATOM 1088 OE1 GLN A 66 -30.384 15.435 -21.432 1.00 42.32 O ATOM 1089 NE2 GLN A 66 -32.180 14.641 -20.343 1.00 42.31 N ATOM 0 H GLN A 66 -31.311 12.450 -16.691 1.00 64.51 H new ATOM 0 HA GLN A 66 -31.274 11.227 -19.263 1.00 2.44 H new ATOM 0 HB2 GLN A 66 -30.972 13.736 -18.398 1.00 4.13 H new ATOM 0 HB3 GLN A 66 -29.276 13.295 -18.377 1.00 4.13 H new ATOM 0 HG2 GLN A 66 -29.104 13.435 -20.614 1.00 52.24 H new ATOM 0 HG3 GLN A 66 -30.537 12.459 -20.869 1.00 52.24 H new ATOM 0 HE21 GLN A 66 -32.582 13.893 -19.779 1.00 42.31 H new ATOM 0 HE22 GLN A 66 -32.747 15.451 -20.595 1.00 42.31 H new ATOM 1098 N VAL A 67 -28.697 10.752 -17.284 1.00 63.03 N ATOM 1099 CA VAL A 67 -27.484 9.963 -17.103 1.00 10.12 C ATOM 1100 C VAL A 67 -27.790 8.470 -17.131 1.00 34.03 C ATOM 1101 O VAL A 67 -27.000 7.671 -17.635 1.00 53.45 O ATOM 1102 CB VAL A 67 -26.784 10.308 -15.775 1.00 21.42 C ATOM 1103 CG1 VAL A 67 -25.424 9.630 -15.696 1.00 53.13 C ATOM 1104 CG2 VAL A 67 -26.647 11.815 -15.620 1.00 75.22 C ATOM 0 H VAL A 67 -28.976 11.291 -16.464 1.00 63.03 H new ATOM 0 HA VAL A 67 -26.819 10.210 -17.931 1.00 10.12 H new ATOM 0 HB VAL A 67 -27.397 9.936 -14.954 1.00 21.42 H new ATOM 0 HG11 VAL A 67 -24.944 9.885 -14.751 1.00 53.13 H new ATOM 0 HG12 VAL A 67 -25.552 8.549 -15.758 1.00 53.13 H new ATOM 0 HG13 VAL A 67 -24.800 9.969 -16.523 1.00 53.13 H new ATOM 0 HG21 VAL A 67 -26.150 12.040 -14.676 1.00 75.22 H new ATOM 0 HG22 VAL A 67 -26.056 12.213 -16.445 1.00 75.22 H new ATOM 0 HG23 VAL A 67 -27.636 12.273 -15.628 1.00 75.22 H new ATOM 1114 N THR A 68 -28.944 8.098 -16.585 1.00 72.20 N ATOM 1115 CA THR A 68 -29.356 6.700 -16.546 1.00 42.24 C ATOM 1116 C THR A 68 -30.049 6.295 -17.842 1.00 55.41 C ATOM 1117 O THR A 68 -30.033 5.126 -18.227 1.00 44.21 O ATOM 1118 CB THR A 68 -30.303 6.426 -15.363 1.00 61.00 C ATOM 1119 OG1 THR A 68 -30.637 5.034 -15.316 1.00 14.55 O ATOM 1120 CG2 THR A 68 -31.573 7.254 -15.483 1.00 52.33 C ATOM 0 H THR A 68 -29.610 8.746 -16.164 1.00 72.20 H new ATOM 0 HA THR A 68 -28.450 6.107 -16.421 1.00 42.24 H new ATOM 0 HB THR A 68 -29.791 6.708 -14.443 1.00 61.00 H new ATOM 0 HG1 THR A 68 -31.238 4.867 -14.560 1.00 14.55 H new ATOM 0 HG21 THR A 68 -32.226 7.043 -14.636 1.00 52.33 H new ATOM 0 HG22 THR A 68 -31.317 8.314 -15.489 1.00 52.33 H new ATOM 0 HG23 THR A 68 -32.087 6.999 -16.410 1.00 52.33 H new ATOM 1128 N ARG A 69 -30.658 7.269 -18.511 1.00 53.01 N ATOM 1129 CA ARG A 69 -31.358 7.013 -19.764 1.00 55.10 C ATOM 1130 C ARG A 69 -30.430 6.357 -20.782 1.00 2.04 C ATOM 1131 O ARG A 69 -30.831 5.449 -21.510 1.00 61.31 O ATOM 1132 CB ARG A 69 -31.919 8.317 -20.335 1.00 62.13 C ATOM 1133 CG ARG A 69 -32.678 8.134 -21.639 1.00 70.13 C ATOM 1134 CD ARG A 69 -32.040 8.924 -22.771 1.00 63.42 C ATOM 1135 NE ARG A 69 -32.967 9.140 -23.878 1.00 52.53 N ATOM 1136 CZ ARG A 69 -32.768 10.036 -24.839 1.00 13.22 C ATOM 1137 NH1 ARG A 69 -31.680 10.794 -24.828 1.00 55.13 N ATOM 1138 NH2 ARG A 69 -33.659 10.175 -25.813 1.00 65.20 N ATOM 0 H ARG A 69 -30.681 8.242 -18.206 1.00 53.01 H new ATOM 0 HA ARG A 69 -32.182 6.330 -19.557 1.00 55.10 H new ATOM 0 HB2 ARG A 69 -32.583 8.770 -19.599 1.00 62.13 H new ATOM 0 HB3 ARG A 69 -31.098 9.016 -20.497 1.00 62.13 H new ATOM 0 HG2 ARG A 69 -32.703 7.076 -21.901 1.00 70.13 H new ATOM 0 HG3 ARG A 69 -33.712 8.454 -21.508 1.00 70.13 H new ATOM 0 HD2 ARG A 69 -31.697 9.887 -22.393 1.00 63.42 H new ATOM 0 HD3 ARG A 69 -31.160 8.392 -23.133 1.00 63.42 H new ATOM 0 HE ARG A 69 -33.814 8.572 -23.916 1.00 52.53 H new ATOM 0 HH11 ARG A 69 -30.994 10.690 -24.081 1.00 55.13 H new ATOM 0 HH12 ARG A 69 -31.530 11.481 -25.567 1.00 55.13 H new ATOM 0 HH21 ARG A 69 -34.497 9.594 -25.824 1.00 65.20 H new ATOM 0 HH22 ARG A 69 -33.506 10.863 -26.550 1.00 65.20 H new ATOM 1152 N THR A 70 -29.186 6.824 -20.827 1.00 24.42 N ATOM 1153 CA THR A 70 -28.200 6.284 -21.755 1.00 54.25 C ATOM 1154 C THR A 70 -27.213 5.370 -21.040 1.00 21.24 C ATOM 1155 O THR A 70 -26.235 4.914 -21.631 1.00 70.24 O ATOM 1156 CB THR A 70 -27.421 7.409 -22.463 1.00 70.53 C ATOM 1157 OG1 THR A 70 -27.421 8.589 -21.653 1.00 42.44 O ATOM 1158 CG2 THR A 70 -28.033 7.719 -23.821 1.00 65.12 C ATOM 0 H THR A 70 -28.838 7.575 -20.231 1.00 24.42 H new ATOM 0 HA THR A 70 -28.749 5.708 -22.499 1.00 54.25 H new ATOM 0 HB THR A 70 -26.395 7.072 -22.613 1.00 70.53 H new ATOM 0 HG1 THR A 70 -26.518 8.969 -21.628 1.00 42.44 H new ATOM 0 HG21 THR A 70 -27.466 8.516 -24.302 1.00 65.12 H new ATOM 0 HG22 THR A 70 -28.005 6.826 -24.445 1.00 65.12 H new ATOM 0 HG23 THR A 70 -29.067 8.037 -23.690 1.00 65.12 H new ATOM 1166 N GLN A 71 -27.476 5.106 -19.764 1.00 30.42 N ATOM 1167 CA GLN A 71 -26.609 4.245 -18.968 1.00 30.21 C ATOM 1168 C GLN A 71 -25.178 4.772 -18.960 1.00 22.41 C ATOM 1169 O GLN A 71 -24.231 4.026 -19.212 1.00 15.43 O ATOM 1170 CB GLN A 71 -26.636 2.815 -19.512 1.00 1.42 C ATOM 1171 CG GLN A 71 -27.978 2.123 -19.336 1.00 25.40 C ATOM 1172 CD GLN A 71 -28.599 1.711 -20.656 1.00 20.51 C ATOM 1173 OE1 GLN A 71 -29.399 2.446 -21.235 1.00 42.02 O ATOM 1174 NE2 GLN A 71 -28.234 0.529 -21.139 1.00 65.03 N ATOM 0 H GLN A 71 -28.282 5.476 -19.260 1.00 30.42 H new ATOM 0 HA GLN A 71 -26.982 4.243 -17.944 1.00 30.21 H new ATOM 0 HB2 GLN A 71 -26.382 2.833 -20.572 1.00 1.42 H new ATOM 0 HB3 GLN A 71 -25.866 2.229 -19.010 1.00 1.42 H new ATOM 0 HG2 GLN A 71 -27.848 1.241 -18.709 1.00 25.40 H new ATOM 0 HG3 GLN A 71 -28.661 2.791 -18.810 1.00 25.40 H new ATOM 0 HE21 GLN A 71 -27.568 -0.048 -20.626 1.00 65.03 H new ATOM 0 HE22 GLN A 71 -28.620 0.198 -22.023 1.00 65.03 H new ATOM 1183 N GLN A 72 -25.028 6.060 -18.669 1.00 73.05 N ATOM 1184 CA GLN A 72 -23.712 6.686 -18.630 1.00 60.11 C ATOM 1185 C GLN A 72 -23.175 6.736 -17.203 1.00 75.13 C ATOM 1186 O GLN A 72 -22.057 7.193 -16.966 1.00 54.22 O ATOM 1187 CB GLN A 72 -23.778 8.099 -19.212 1.00 72.25 C ATOM 1188 CG GLN A 72 -22.735 8.364 -20.286 1.00 74.34 C ATOM 1189 CD GLN A 72 -23.333 8.422 -21.678 1.00 60.04 C ATOM 1190 OE1 GLN A 72 -24.181 9.267 -21.968 1.00 30.45 O ATOM 1191 NE2 GLN A 72 -22.893 7.522 -22.550 1.00 42.21 N ATOM 0 H GLN A 72 -25.801 6.690 -18.457 1.00 73.05 H new ATOM 0 HA GLN A 72 -23.033 6.084 -19.234 1.00 60.11 H new ATOM 0 HB2 GLN A 72 -24.770 8.264 -19.632 1.00 72.25 H new ATOM 0 HB3 GLN A 72 -23.649 8.821 -18.406 1.00 72.25 H new ATOM 0 HG2 GLN A 72 -22.230 9.306 -20.072 1.00 74.34 H new ATOM 0 HG3 GLN A 72 -21.977 7.581 -20.252 1.00 74.34 H new ATOM 0 HE21 GLN A 72 -22.189 6.840 -22.268 1.00 42.21 H new ATOM 0 HE22 GLN A 72 -23.259 7.513 -23.502 1.00 42.21 H new ATOM 1200 N TRP A 73 -23.979 6.263 -16.258 1.00 13.53 N ATOM 1201 CA TRP A 73 -23.585 6.255 -14.854 1.00 21.15 C ATOM 1202 C TRP A 73 -22.222 5.595 -14.675 1.00 32.31 C ATOM 1203 O TRP A 73 -21.385 6.075 -13.912 1.00 3.35 O ATOM 1204 CB TRP A 73 -24.633 5.525 -14.012 1.00 72.14 C ATOM 1205 CG TRP A 73 -24.210 5.311 -12.591 1.00 32.04 C ATOM 1206 CD1 TRP A 73 -23.496 6.174 -11.809 1.00 53.13 C ATOM 1207 CD2 TRP A 73 -24.473 4.159 -11.782 1.00 73.13 C ATOM 1208 NE1 TRP A 73 -23.300 5.628 -10.564 1.00 23.12 N ATOM 1209 CE2 TRP A 73 -23.890 4.393 -10.522 1.00 31.45 C ATOM 1210 CE3 TRP A 73 -25.147 2.954 -12.000 1.00 25.11 C ATOM 1211 CZ2 TRP A 73 -23.960 3.465 -9.486 1.00 21.41 C ATOM 1212 CZ3 TRP A 73 -25.215 2.034 -10.971 1.00 64.32 C ATOM 1213 CH2 TRP A 73 -24.625 2.293 -9.727 1.00 0.22 C ATOM 0 H TRP A 73 -24.907 5.880 -16.438 1.00 13.53 H new ATOM 0 HA TRP A 73 -23.515 7.289 -14.517 1.00 21.15 H new ATOM 0 HB2 TRP A 73 -25.561 6.096 -14.025 1.00 72.14 H new ATOM 0 HB3 TRP A 73 -24.847 4.559 -14.469 1.00 72.14 H new ATOM 0 HD1 TRP A 73 -23.138 7.143 -12.124 1.00 53.13 H new ATOM 0 HE1 TRP A 73 -22.797 6.071 -9.795 1.00 23.12 H new ATOM 0 HE3 TRP A 73 -25.606 2.746 -12.955 1.00 25.11 H new ATOM 0 HZ2 TRP A 73 -23.506 3.663 -8.526 1.00 21.41 H new ATOM 0 HZ3 TRP A 73 -25.732 1.099 -11.129 1.00 64.32 H new ATOM 0 HH2 TRP A 73 -24.696 1.554 -8.943 1.00 0.22 H new ATOM 1224 N SER A 74 -22.007 4.491 -15.384 1.00 5.23 N ATOM 1225 CA SER A 74 -20.746 3.763 -15.300 1.00 42.21 C ATOM 1226 C SER A 74 -19.596 4.602 -15.850 1.00 14.40 C ATOM 1227 O SER A 74 -18.479 4.557 -15.336 1.00 13.13 O ATOM 1228 CB SER A 74 -20.842 2.444 -16.069 1.00 33.02 C ATOM 1229 OG SER A 74 -20.988 2.674 -17.460 1.00 23.44 O ATOM 0 H SER A 74 -22.689 4.082 -16.022 1.00 5.23 H new ATOM 0 HA SER A 74 -20.548 3.550 -14.250 1.00 42.21 H new ATOM 0 HB2 SER A 74 -19.948 1.848 -15.888 1.00 33.02 H new ATOM 0 HB3 SER A 74 -21.690 1.866 -15.702 1.00 33.02 H new ATOM 0 HG SER A 74 -21.045 1.816 -17.929 1.00 23.44 H new ATOM 1235 N MET A 75 -19.880 5.368 -16.899 1.00 21.31 N ATOM 1236 CA MET A 75 -18.871 6.219 -17.519 1.00 23.44 C ATOM 1237 C MET A 75 -18.535 7.405 -16.621 1.00 44.32 C ATOM 1238 O MET A 75 -17.364 7.710 -16.390 1.00 54.03 O ATOM 1239 CB MET A 75 -19.359 6.716 -18.880 1.00 42.15 C ATOM 1240 CG MET A 75 -18.281 6.707 -19.953 1.00 33.03 C ATOM 1241 SD MET A 75 -18.914 7.168 -21.577 1.00 2.31 S ATOM 1242 CE MET A 75 -18.577 5.676 -22.508 1.00 35.52 C ATOM 0 H MET A 75 -20.800 5.417 -17.337 1.00 21.31 H new ATOM 0 HA MET A 75 -17.968 5.626 -17.660 1.00 23.44 H new ATOM 0 HB2 MET A 75 -20.192 6.093 -19.208 1.00 42.15 H new ATOM 0 HB3 MET A 75 -19.743 7.730 -18.771 1.00 42.15 H new ATOM 0 HG2 MET A 75 -17.485 7.395 -19.669 1.00 33.03 H new ATOM 0 HG3 MET A 75 -17.838 5.713 -20.009 1.00 33.03 H new ATOM 0 HE1 MET A 75 -18.913 5.805 -23.537 1.00 35.52 H new ATOM 0 HE2 MET A 75 -17.506 5.476 -22.499 1.00 35.52 H new ATOM 0 HE3 MET A 75 -19.107 4.838 -22.056 1.00 35.52 H new ATOM 1252 N VAL A 76 -19.568 8.072 -16.118 1.00 13.42 N ATOM 1253 CA VAL A 76 -19.382 9.225 -15.245 1.00 13.50 C ATOM 1254 C VAL A 76 -18.781 8.810 -13.907 1.00 12.52 C ATOM 1255 O VAL A 76 -17.772 9.363 -13.470 1.00 13.41 O ATOM 1256 CB VAL A 76 -20.713 9.959 -14.992 1.00 71.52 C ATOM 1257 CG1 VAL A 76 -20.497 11.160 -14.085 1.00 50.43 C ATOM 1258 CG2 VAL A 76 -21.347 10.381 -16.309 1.00 63.11 C ATOM 0 H VAL A 76 -20.543 7.834 -16.300 1.00 13.42 H new ATOM 0 HA VAL A 76 -18.695 9.900 -15.755 1.00 13.50 H new ATOM 0 HB VAL A 76 -21.396 9.274 -14.490 1.00 71.52 H new ATOM 0 HG11 VAL A 76 -21.448 11.665 -13.918 1.00 50.43 H new ATOM 0 HG12 VAL A 76 -20.091 10.826 -13.130 1.00 50.43 H new ATOM 0 HG13 VAL A 76 -19.797 11.850 -14.556 1.00 50.43 H new ATOM 0 HG21 VAL A 76 -22.286 10.898 -16.112 1.00 63.11 H new ATOM 0 HG22 VAL A 76 -20.670 11.049 -16.841 1.00 63.11 H new ATOM 0 HG23 VAL A 76 -21.540 9.499 -16.919 1.00 63.11 H new ATOM 1268 N ALA A 77 -19.408 7.833 -13.261 1.00 23.43 N ATOM 1269 CA ALA A 77 -18.933 7.341 -11.973 1.00 53.21 C ATOM 1270 C ALA A 77 -17.485 6.873 -12.064 1.00 61.21 C ATOM 1271 O ALA A 77 -16.700 7.072 -11.137 1.00 60.14 O ATOM 1272 CB ALA A 77 -19.825 6.212 -11.478 1.00 0.21 C ATOM 0 H ALA A 77 -20.246 7.366 -13.608 1.00 23.43 H new ATOM 0 HA ALA A 77 -18.977 8.164 -11.259 1.00 53.21 H new ATOM 0 HB1 ALA A 77 -19.459 5.854 -10.516 1.00 0.21 H new ATOM 0 HB2 ALA A 77 -20.846 6.578 -11.365 1.00 0.21 H new ATOM 0 HB3 ALA A 77 -19.810 5.394 -12.199 1.00 0.21 H new ATOM 1278 N GLN A 78 -17.139 6.250 -13.186 1.00 22.42 N ATOM 1279 CA GLN A 78 -15.784 5.752 -13.396 1.00 34.22 C ATOM 1280 C GLN A 78 -14.770 6.889 -13.331 1.00 53.12 C ATOM 1281 O GLN A 78 -13.633 6.696 -12.901 1.00 70.13 O ATOM 1282 CB GLN A 78 -15.684 5.039 -14.746 1.00 1.24 C ATOM 1283 CG GLN A 78 -14.265 4.645 -15.121 1.00 44.13 C ATOM 1284 CD GLN A 78 -14.203 3.326 -15.866 1.00 21.02 C ATOM 1285 OE1 GLN A 78 -14.063 2.264 -15.259 1.00 62.42 O ATOM 1286 NE2 GLN A 78 -14.308 3.387 -17.188 1.00 64.31 N ATOM 0 H GLN A 78 -17.777 6.078 -13.963 1.00 22.42 H new ATOM 0 HA GLN A 78 -15.557 5.042 -12.601 1.00 34.22 H new ATOM 0 HB2 GLN A 78 -16.306 4.145 -14.722 1.00 1.24 H new ATOM 0 HB3 GLN A 78 -16.089 5.689 -15.522 1.00 1.24 H new ATOM 0 HG2 GLN A 78 -13.826 5.428 -15.739 1.00 44.13 H new ATOM 0 HG3 GLN A 78 -13.660 4.576 -14.217 1.00 44.13 H new ATOM 0 HE21 GLN A 78 -14.423 4.289 -17.649 1.00 64.31 H new ATOM 0 HE22 GLN A 78 -14.274 2.531 -17.742 1.00 64.31 H new ATOM 1295 N ARG A 79 -15.190 8.075 -13.761 1.00 61.42 N ATOM 1296 CA ARG A 79 -14.317 9.243 -13.754 1.00 35.44 C ATOM 1297 C ARG A 79 -13.824 9.543 -12.341 1.00 43.24 C ATOM 1298 O ARG A 79 -12.650 9.857 -12.136 1.00 74.00 O ATOM 1299 CB ARG A 79 -15.054 10.459 -14.318 1.00 3.23 C ATOM 1300 CG ARG A 79 -14.178 11.357 -15.177 1.00 21.25 C ATOM 1301 CD ARG A 79 -14.608 11.325 -16.635 1.00 34.14 C ATOM 1302 NE ARG A 79 -13.732 12.129 -17.482 1.00 23.02 N ATOM 1303 CZ ARG A 79 -13.842 12.191 -18.804 1.00 52.01 C ATOM 1304 NH1 ARG A 79 -14.787 11.500 -19.427 1.00 13.51 N ATOM 1305 NH2 ARG A 79 -13.006 12.946 -19.506 1.00 75.43 N ATOM 0 H ARG A 79 -16.129 8.252 -14.118 1.00 61.42 H new ATOM 0 HA ARG A 79 -13.454 9.026 -14.383 1.00 35.44 H new ATOM 0 HB2 ARG A 79 -15.901 10.117 -14.912 1.00 3.23 H new ATOM 0 HB3 ARG A 79 -15.459 11.043 -13.492 1.00 3.23 H new ATOM 0 HG2 ARG A 79 -14.228 12.380 -14.804 1.00 21.25 H new ATOM 0 HG3 ARG A 79 -13.139 11.039 -15.096 1.00 21.25 H new ATOM 0 HD2 ARG A 79 -14.609 10.294 -16.990 1.00 34.14 H new ATOM 0 HD3 ARG A 79 -15.631 11.692 -16.719 1.00 34.14 H new ATOM 0 HE ARG A 79 -12.995 12.673 -17.034 1.00 23.02 H new ATOM 0 HH11 ARG A 79 -15.432 10.919 -18.891 1.00 13.51 H new ATOM 0 HH12 ARG A 79 -14.869 11.549 -20.442 1.00 13.51 H new ATOM 0 HH21 ARG A 79 -12.278 13.479 -19.030 1.00 75.43 H new ATOM 0 HH22 ARG A 79 -13.091 12.993 -20.521 1.00 75.43 H new ATOM 1319 N LEU A 80 -14.726 9.446 -11.372 1.00 32.34 N ATOM 1320 CA LEU A 80 -14.383 9.707 -9.978 1.00 51.50 C ATOM 1321 C LEU A 80 -14.105 8.406 -9.232 1.00 42.41 C ATOM 1322 O LEU A 80 -13.877 8.410 -8.023 1.00 15.43 O ATOM 1323 CB LEU A 80 -15.515 10.472 -9.289 1.00 24.24 C ATOM 1324 CG LEU A 80 -15.095 11.676 -8.445 1.00 25.23 C ATOM 1325 CD1 LEU A 80 -14.233 11.232 -7.273 1.00 31.42 C ATOM 1326 CD2 LEU A 80 -14.352 12.693 -9.299 1.00 54.11 C ATOM 0 H LEU A 80 -15.701 9.188 -11.525 1.00 32.34 H new ATOM 0 HA LEU A 80 -13.478 10.314 -9.960 1.00 51.50 H new ATOM 0 HB2 LEU A 80 -16.213 10.815 -10.053 1.00 24.24 H new ATOM 0 HB3 LEU A 80 -16.059 9.777 -8.649 1.00 24.24 H new ATOM 0 HG LEU A 80 -15.994 12.149 -8.050 1.00 25.23 H new ATOM 0 HD11 LEU A 80 -13.944 12.102 -6.684 1.00 31.42 H new ATOM 0 HD12 LEU A 80 -14.798 10.541 -6.647 1.00 31.42 H new ATOM 0 HD13 LEU A 80 -13.339 10.734 -7.647 1.00 31.42 H new ATOM 0 HD21 LEU A 80 -14.061 13.543 -8.682 1.00 54.11 H new ATOM 0 HD22 LEU A 80 -13.461 12.230 -9.723 1.00 54.11 H new ATOM 0 HD23 LEU A 80 -15.001 13.035 -10.105 1.00 54.11 H new ATOM 1338 N GLN A 81 -14.122 7.296 -9.963 1.00 14.14 N ATOM 1339 CA GLN A 81 -13.870 5.988 -9.370 1.00 13.14 C ATOM 1340 C GLN A 81 -14.983 5.607 -8.399 1.00 31.12 C ATOM 1341 O GLN A 81 -14.746 4.914 -7.409 1.00 62.31 O ATOM 1342 CB GLN A 81 -12.523 5.984 -8.646 1.00 65.01 C ATOM 1343 CG GLN A 81 -11.635 4.808 -9.021 1.00 4.35 C ATOM 1344 CD GLN A 81 -11.042 4.944 -10.409 1.00 63.32 C ATOM 1345 OE1 GLN A 81 -11.710 5.392 -11.341 1.00 50.20 O ATOM 1346 NE2 GLN A 81 -9.780 4.556 -10.555 1.00 31.11 N ATOM 0 H GLN A 81 -14.307 7.276 -10.966 1.00 14.14 H new ATOM 0 HA GLN A 81 -13.845 5.252 -10.173 1.00 13.14 H new ATOM 0 HB2 GLN A 81 -11.997 6.912 -8.870 1.00 65.01 H new ATOM 0 HB3 GLN A 81 -12.698 5.968 -7.570 1.00 65.01 H new ATOM 0 HG2 GLN A 81 -10.829 4.720 -8.293 1.00 4.35 H new ATOM 0 HG3 GLN A 81 -12.216 3.887 -8.967 1.00 4.35 H new ATOM 0 HE21 GLN A 81 -9.263 4.190 -9.755 1.00 31.11 H new ATOM 0 HE22 GLN A 81 -9.328 4.624 -11.467 1.00 31.11 H new ATOM 1355 N ILE A 82 -16.196 6.064 -8.688 1.00 55.25 N ATOM 1356 CA ILE A 82 -17.346 5.770 -7.841 1.00 45.12 C ATOM 1357 C ILE A 82 -17.868 4.360 -8.094 1.00 13.11 C ATOM 1358 O ILE A 82 -18.121 3.603 -7.156 1.00 42.35 O ATOM 1359 CB ILE A 82 -18.487 6.778 -8.071 1.00 73.23 C ATOM 1360 CG1 ILE A 82 -18.134 8.132 -7.454 1.00 3.24 C ATOM 1361 CG2 ILE A 82 -19.788 6.247 -7.488 1.00 30.32 C ATOM 1362 CD1 ILE A 82 -18.105 8.118 -5.941 1.00 73.43 C ATOM 0 H ILE A 82 -16.409 6.640 -9.503 1.00 55.25 H new ATOM 0 HA ILE A 82 -17.006 5.849 -6.808 1.00 45.12 H new ATOM 0 HB ILE A 82 -18.621 6.914 -9.144 1.00 73.23 H new ATOM 0 HG12 ILE A 82 -17.159 8.448 -7.825 1.00 3.24 H new ATOM 0 HG13 ILE A 82 -18.858 8.875 -7.789 1.00 3.24 H new ATOM 0 HG21 ILE A 82 -20.585 6.971 -7.658 1.00 30.32 H new ATOM 0 HG22 ILE A 82 -20.045 5.304 -7.970 1.00 30.32 H new ATOM 0 HG23 ILE A 82 -19.668 6.085 -6.417 1.00 30.32 H new ATOM 0 HD11 ILE A 82 -17.848 9.111 -5.573 1.00 73.43 H new ATOM 0 HD12 ILE A 82 -19.086 7.833 -5.561 1.00 73.43 H new ATOM 0 HD13 ILE A 82 -17.360 7.400 -5.598 1.00 73.43 H new ATOM 1374 N SER A 83 -18.027 4.013 -9.367 1.00 62.02 N ATOM 1375 CA SER A 83 -18.521 2.694 -9.744 1.00 34.00 C ATOM 1376 C SER A 83 -17.469 1.926 -10.538 1.00 74.14 C ATOM 1377 O SER A 83 -17.586 1.769 -11.754 1.00 45.40 O ATOM 1378 CB SER A 83 -19.805 2.823 -10.567 1.00 4.11 C ATOM 1379 OG SER A 83 -20.344 1.549 -10.874 1.00 1.20 O ATOM 0 H SER A 83 -17.821 4.627 -10.155 1.00 62.02 H new ATOM 0 HA SER A 83 -18.737 2.140 -8.831 1.00 34.00 H new ATOM 0 HB2 SER A 83 -20.539 3.408 -10.012 1.00 4.11 H new ATOM 0 HB3 SER A 83 -19.597 3.365 -11.489 1.00 4.11 H new ATOM 0 HG SER A 83 -21.164 1.659 -11.399 1.00 1.20 H new ATOM 1385 N ASP A 84 -16.443 1.449 -9.842 1.00 53.14 N ATOM 1386 CA ASP A 84 -15.370 0.696 -10.481 1.00 52.11 C ATOM 1387 C ASP A 84 -15.607 -0.805 -10.350 1.00 72.22 C ATOM 1388 O ASP A 84 -14.791 -1.525 -9.774 1.00 13.34 O ATOM 1389 CB ASP A 84 -14.021 1.068 -9.865 1.00 24.44 C ATOM 1390 CG ASP A 84 -13.321 2.175 -10.627 1.00 50.43 C ATOM 1391 OD1 ASP A 84 -14.022 3.034 -11.201 1.00 52.34 O ATOM 1392 OD2 ASP A 84 -12.072 2.183 -10.651 1.00 32.01 O ATOM 0 H ASP A 84 -16.332 1.570 -8.835 1.00 53.14 H new ATOM 0 HA ASP A 84 -15.360 0.953 -11.540 1.00 52.11 H new ATOM 0 HB2 ASP A 84 -14.171 1.381 -8.832 1.00 24.44 H new ATOM 0 HB3 ASP A 84 -13.381 0.186 -9.841 1.00 24.44 H new ATOM 1397 N TYR A 85 -16.729 -1.271 -10.888 1.00 10.31 N ATOM 1398 CA TYR A 85 -17.075 -2.686 -10.828 1.00 54.21 C ATOM 1399 C TYR A 85 -17.468 -3.091 -9.411 1.00 21.23 C ATOM 1400 O TYR A 85 -18.104 -2.324 -8.689 1.00 32.35 O ATOM 1401 CB TYR A 85 -15.901 -3.540 -11.308 1.00 72.53 C ATOM 1402 CG TYR A 85 -16.324 -4.792 -12.043 1.00 72.32 C ATOM 1403 CD1 TYR A 85 -17.270 -4.739 -13.059 1.00 72.23 C ATOM 1404 CD2 TYR A 85 -15.777 -6.028 -11.722 1.00 23.41 C ATOM 1405 CE1 TYR A 85 -17.660 -5.881 -13.733 1.00 10.43 C ATOM 1406 CE2 TYR A 85 -16.160 -7.175 -12.391 1.00 45.11 C ATOM 1407 CZ TYR A 85 -17.102 -7.096 -13.395 1.00 42.12 C ATOM 1408 OH TYR A 85 -17.486 -8.235 -14.065 1.00 14.13 O ATOM 0 H TYR A 85 -17.414 -0.689 -11.370 1.00 10.31 H new ATOM 0 HA TYR A 85 -17.929 -2.853 -11.484 1.00 54.21 H new ATOM 0 HB2 TYR A 85 -15.270 -2.940 -11.963 1.00 72.53 H new ATOM 0 HB3 TYR A 85 -15.292 -3.821 -10.449 1.00 72.53 H new ATOM 0 HD1 TYR A 85 -17.708 -3.789 -13.327 1.00 72.23 H new ATOM 0 HD2 TYR A 85 -15.039 -6.094 -10.936 1.00 23.41 H new ATOM 0 HE1 TYR A 85 -18.397 -5.822 -14.520 1.00 10.43 H new ATOM 0 HE2 TYR A 85 -15.724 -8.128 -12.129 1.00 45.11 H new ATOM 0 HH TYR A 85 -16.998 -9.006 -13.707 1.00 14.13 H new ATOM 1418 N GLN A 86 -17.083 -4.302 -9.020 1.00 44.14 N ATOM 1419 CA GLN A 86 -17.394 -4.810 -7.690 1.00 21.13 C ATOM 1420 C GLN A 86 -17.012 -3.796 -6.617 1.00 1.04 C ATOM 1421 O GLN A 86 -17.670 -3.697 -5.581 1.00 63.32 O ATOM 1422 CB GLN A 86 -16.665 -6.132 -7.442 1.00 4.31 C ATOM 1423 CG GLN A 86 -15.161 -6.044 -7.645 1.00 63.14 C ATOM 1424 CD GLN A 86 -14.472 -7.386 -7.490 1.00 43.44 C ATOM 1425 OE1 GLN A 86 -15.105 -8.386 -7.151 1.00 44.04 O ATOM 1426 NE2 GLN A 86 -13.168 -7.414 -7.739 1.00 5.34 N ATOM 0 H GLN A 86 -16.555 -4.949 -9.606 1.00 44.14 H new ATOM 0 HA GLN A 86 -18.469 -4.981 -7.636 1.00 21.13 H new ATOM 0 HB2 GLN A 86 -16.867 -6.463 -6.423 1.00 4.31 H new ATOM 0 HB3 GLN A 86 -17.070 -6.892 -8.111 1.00 4.31 H new ATOM 0 HG2 GLN A 86 -14.955 -5.647 -8.639 1.00 63.14 H new ATOM 0 HG3 GLN A 86 -14.742 -5.339 -6.927 1.00 63.14 H new ATOM 0 HE21 GLN A 86 -12.684 -6.561 -8.017 1.00 5.34 H new ATOM 0 HE22 GLN A 86 -12.651 -8.289 -7.652 1.00 5.34 H new ATOM 1435 N GLN A 87 -15.945 -3.045 -6.872 1.00 31.43 N ATOM 1436 CA GLN A 87 -15.476 -2.040 -5.926 1.00 45.42 C ATOM 1437 C GLN A 87 -16.592 -1.063 -5.571 1.00 42.12 C ATOM 1438 O GLN A 87 -16.593 -0.470 -4.491 1.00 64.43 O ATOM 1439 CB GLN A 87 -14.283 -1.279 -6.508 1.00 64.43 C ATOM 1440 CG GLN A 87 -12.983 -2.066 -6.471 1.00 24.43 C ATOM 1441 CD GLN A 87 -12.408 -2.177 -5.072 1.00 63.13 C ATOM 1442 OE1 GLN A 87 -12.526 -1.255 -4.265 1.00 45.53 O ATOM 1443 NE2 GLN A 87 -11.781 -3.310 -4.778 1.00 30.14 N ATOM 0 H GLN A 87 -15.390 -3.114 -7.725 1.00 31.43 H new ATOM 0 HA GLN A 87 -15.163 -2.552 -5.016 1.00 45.42 H new ATOM 0 HB2 GLN A 87 -14.504 -1.007 -7.540 1.00 64.43 H new ATOM 0 HB3 GLN A 87 -14.151 -0.349 -5.955 1.00 64.43 H new ATOM 0 HG2 GLN A 87 -13.156 -3.066 -6.869 1.00 24.43 H new ATOM 0 HG3 GLN A 87 -12.253 -1.586 -7.123 1.00 24.43 H new ATOM 0 HE21 GLN A 87 -11.707 -4.048 -5.478 1.00 30.14 H new ATOM 0 HE22 GLN A 87 -11.374 -3.442 -3.852 1.00 30.14 H new ATOM 1452 N LEU A 88 -17.541 -0.899 -6.486 1.00 62.12 N ATOM 1453 CA LEU A 88 -18.664 0.007 -6.270 1.00 62.51 C ATOM 1454 C LEU A 88 -19.371 -0.307 -4.956 1.00 32.13 C ATOM 1455 O LEU A 88 -19.993 0.566 -4.352 1.00 34.25 O ATOM 1456 CB LEU A 88 -19.654 -0.092 -7.432 1.00 14.44 C ATOM 1457 CG LEU A 88 -20.972 0.664 -7.256 1.00 1.42 C ATOM 1458 CD1 LEU A 88 -20.714 2.153 -7.079 1.00 21.41 C ATOM 1459 CD2 LEU A 88 -21.891 0.418 -8.444 1.00 22.15 C ATOM 0 H LEU A 88 -17.555 -1.381 -7.385 1.00 62.12 H new ATOM 0 HA LEU A 88 -18.275 1.024 -6.218 1.00 62.51 H new ATOM 0 HB2 LEU A 88 -19.164 0.277 -8.333 1.00 14.44 H new ATOM 0 HB3 LEU A 88 -19.882 -1.145 -7.601 1.00 14.44 H new ATOM 0 HG LEU A 88 -21.465 0.292 -6.358 1.00 1.42 H new ATOM 0 HD11 LEU A 88 -21.663 2.675 -6.955 1.00 21.41 H new ATOM 0 HD12 LEU A 88 -20.095 2.313 -6.196 1.00 21.41 H new ATOM 0 HD13 LEU A 88 -20.199 2.540 -7.958 1.00 21.41 H new ATOM 0 HD21 LEU A 88 -22.824 0.964 -8.302 1.00 22.15 H new ATOM 0 HD22 LEU A 88 -21.405 0.762 -9.357 1.00 22.15 H new ATOM 0 HD23 LEU A 88 -22.103 -0.648 -8.525 1.00 22.15 H new ATOM 1471 N GLU A 89 -19.269 -1.558 -4.518 1.00 60.33 N ATOM 1472 CA GLU A 89 -19.898 -1.986 -3.274 1.00 53.23 C ATOM 1473 C GLU A 89 -19.223 -1.335 -2.071 1.00 44.50 C ATOM 1474 O GLU A 89 -19.890 -0.859 -1.153 1.00 34.44 O ATOM 1475 CB GLU A 89 -19.839 -3.509 -3.144 1.00 24.21 C ATOM 1476 CG GLU A 89 -21.186 -4.149 -2.855 1.00 54.44 C ATOM 1477 CD GLU A 89 -21.058 -5.529 -2.242 1.00 23.32 C ATOM 1478 OE1 GLU A 89 -20.574 -6.445 -2.940 1.00 32.22 O ATOM 1479 OE2 GLU A 89 -21.440 -5.694 -1.065 1.00 34.23 O ATOM 0 H GLU A 89 -18.757 -2.293 -5.006 1.00 60.33 H new ATOM 0 HA GLU A 89 -20.941 -1.671 -3.298 1.00 53.23 H new ATOM 0 HB2 GLU A 89 -19.438 -3.928 -4.067 1.00 24.21 H new ATOM 0 HB3 GLU A 89 -19.144 -3.770 -2.346 1.00 24.21 H new ATOM 0 HG2 GLU A 89 -21.751 -3.507 -2.180 1.00 54.44 H new ATOM 0 HG3 GLU A 89 -21.757 -4.219 -3.781 1.00 54.44 H new ATOM 1486 N SER A 90 -17.894 -1.317 -2.084 1.00 24.24 N ATOM 1487 CA SER A 90 -17.126 -0.729 -0.992 1.00 54.30 C ATOM 1488 C SER A 90 -17.309 0.786 -0.955 1.00 22.45 C ATOM 1489 O SER A 90 -17.489 1.374 0.112 1.00 34.52 O ATOM 1490 CB SER A 90 -15.643 -1.072 -1.140 1.00 41.44 C ATOM 1491 OG SER A 90 -14.827 0.031 -0.784 1.00 64.42 O ATOM 0 H SER A 90 -17.326 -1.703 -2.839 1.00 24.24 H new ATOM 0 HA SER A 90 -17.495 -1.146 -0.055 1.00 54.30 H new ATOM 0 HB2 SER A 90 -15.399 -1.927 -0.510 1.00 41.44 H new ATOM 0 HB3 SER A 90 -15.435 -1.365 -2.169 1.00 41.44 H new ATOM 0 HG SER A 90 -13.892 -0.258 -0.730 1.00 64.42 H new ATOM 1497 N ILE A 91 -17.260 1.410 -2.126 1.00 51.13 N ATOM 1498 CA ILE A 91 -17.421 2.855 -2.228 1.00 42.24 C ATOM 1499 C ILE A 91 -18.831 3.281 -1.833 1.00 62.22 C ATOM 1500 O ILE A 91 -19.017 4.278 -1.136 1.00 2.15 O ATOM 1501 CB ILE A 91 -17.127 3.355 -3.655 1.00 62.12 C ATOM 1502 CG1 ILE A 91 -15.794 2.791 -4.152 1.00 72.22 C ATOM 1503 CG2 ILE A 91 -17.111 4.876 -3.691 1.00 22.20 C ATOM 1504 CD1 ILE A 91 -14.618 3.160 -3.276 1.00 24.41 C ATOM 0 H ILE A 91 -17.110 0.938 -3.018 1.00 51.13 H new ATOM 0 HA ILE A 91 -16.703 3.301 -1.540 1.00 42.24 H new ATOM 0 HB ILE A 91 -17.918 3.004 -4.317 1.00 62.12 H new ATOM 0 HG12 ILE A 91 -15.867 1.705 -4.210 1.00 72.22 H new ATOM 0 HG13 ILE A 91 -15.610 3.152 -5.164 1.00 72.22 H new ATOM 0 HG21 ILE A 91 -16.902 5.214 -4.706 1.00 22.20 H new ATOM 0 HG22 ILE A 91 -18.082 5.258 -3.374 1.00 22.20 H new ATOM 0 HG23 ILE A 91 -16.338 5.248 -3.019 1.00 22.20 H new ATOM 0 HD11 ILE A 91 -13.707 2.727 -3.688 1.00 24.41 H new ATOM 0 HD12 ILE A 91 -14.519 4.245 -3.238 1.00 24.41 H new ATOM 0 HD13 ILE A 91 -14.779 2.775 -2.269 1.00 24.41 H new ATOM 1516 N TYR A 92 -19.821 2.517 -2.282 1.00 43.31 N ATOM 1517 CA TYR A 92 -21.215 2.815 -1.976 1.00 2.30 C ATOM 1518 C TYR A 92 -21.490 2.662 -0.483 1.00 64.01 C ATOM 1519 O TYR A 92 -22.203 3.468 0.115 1.00 61.12 O ATOM 1520 CB TYR A 92 -22.142 1.896 -2.774 1.00 4.35 C ATOM 1521 CG TYR A 92 -23.608 2.102 -2.468 1.00 30.02 C ATOM 1522 CD1 TYR A 92 -24.226 1.411 -1.433 1.00 60.10 C ATOM 1523 CD2 TYR A 92 -24.375 2.989 -3.213 1.00 74.55 C ATOM 1524 CE1 TYR A 92 -25.566 1.595 -1.151 1.00 4.21 C ATOM 1525 CE2 TYR A 92 -25.715 3.180 -2.937 1.00 54.35 C ATOM 1526 CZ TYR A 92 -26.306 2.481 -1.906 1.00 0.14 C ATOM 1527 OH TYR A 92 -27.640 2.669 -1.627 1.00 34.42 O ATOM 0 H TYR A 92 -19.684 1.687 -2.859 1.00 43.31 H new ATOM 0 HA TYR A 92 -21.409 3.850 -2.258 1.00 2.30 H new ATOM 0 HB2 TYR A 92 -21.975 2.061 -3.838 1.00 4.35 H new ATOM 0 HB3 TYR A 92 -21.878 0.859 -2.567 1.00 4.35 H new ATOM 0 HD1 TYR A 92 -23.649 0.718 -0.839 1.00 60.10 H new ATOM 0 HD2 TYR A 92 -23.916 3.538 -4.022 1.00 74.55 H new ATOM 0 HE1 TYR A 92 -26.031 1.048 -0.344 1.00 4.21 H new ATOM 0 HE2 TYR A 92 -26.297 3.874 -3.526 1.00 54.35 H new ATOM 0 HH TYR A 92 -28.015 3.326 -2.250 1.00 34.42 H new ATOM 1537 N PHE A 93 -20.917 1.621 0.113 1.00 14.32 N ATOM 1538 CA PHE A 93 -21.100 1.360 1.536 1.00 2.33 C ATOM 1539 C PHE A 93 -20.485 2.475 2.377 1.00 44.30 C ATOM 1540 O PHE A 93 -21.133 3.026 3.267 1.00 50.33 O ATOM 1541 CB PHE A 93 -20.473 0.016 1.914 1.00 15.43 C ATOM 1542 CG PHE A 93 -21.048 -0.582 3.167 1.00 51.44 C ATOM 1543 CD1 PHE A 93 -22.236 -1.294 3.128 1.00 0.21 C ATOM 1544 CD2 PHE A 93 -20.401 -0.431 4.382 1.00 24.03 C ATOM 1545 CE1 PHE A 93 -22.767 -1.846 4.279 1.00 53.24 C ATOM 1546 CE2 PHE A 93 -20.927 -0.981 5.536 1.00 61.12 C ATOM 1547 CZ PHE A 93 -22.112 -1.688 5.484 1.00 33.21 C ATOM 0 H PHE A 93 -20.323 0.945 -0.367 1.00 14.32 H new ATOM 0 HA PHE A 93 -22.170 1.324 1.739 1.00 2.33 H new ATOM 0 HB2 PHE A 93 -20.610 -0.685 1.090 1.00 15.43 H new ATOM 0 HB3 PHE A 93 -19.399 0.149 2.044 1.00 15.43 H new ATOM 0 HD1 PHE A 93 -22.753 -1.419 2.188 1.00 0.21 H new ATOM 0 HD2 PHE A 93 -19.475 0.123 4.429 1.00 24.03 H new ATOM 0 HE1 PHE A 93 -23.693 -2.400 4.236 1.00 53.24 H new ATOM 0 HE2 PHE A 93 -20.412 -0.858 6.477 1.00 61.12 H new ATOM 0 HZ PHE A 93 -22.526 -2.117 6.385 1.00 33.21 H new ATOM 1557 N ARG A 94 -19.229 2.802 2.088 1.00 30.34 N ATOM 1558 CA ARG A 94 -18.525 3.849 2.818 1.00 1.21 C ATOM 1559 C ARG A 94 -19.199 5.203 2.612 1.00 21.51 C ATOM 1560 O ARG A 94 -19.190 6.053 3.502 1.00 11.25 O ATOM 1561 CB ARG A 94 -17.065 3.921 2.368 1.00 63.23 C ATOM 1562 CG ARG A 94 -16.131 3.044 3.186 1.00 72.31 C ATOM 1563 CD ARG A 94 -15.666 1.833 2.392 1.00 34.34 C ATOM 1564 NE ARG A 94 -16.532 0.675 2.603 1.00 3.22 N ATOM 1565 CZ ARG A 94 -16.157 -0.576 2.361 1.00 33.11 C ATOM 1566 NH1 ARG A 94 -14.939 -0.830 1.903 1.00 74.31 N ATOM 1567 NH2 ARG A 94 -17.002 -1.576 2.578 1.00 22.31 N ATOM 0 H ARG A 94 -18.679 2.357 1.354 1.00 30.34 H new ATOM 0 HA ARG A 94 -18.559 3.603 3.879 1.00 1.21 H new ATOM 0 HB2 ARG A 94 -17.002 3.626 1.320 1.00 63.23 H new ATOM 0 HB3 ARG A 94 -16.725 4.955 2.429 1.00 63.23 H new ATOM 0 HG2 ARG A 94 -15.266 3.627 3.502 1.00 72.31 H new ATOM 0 HG3 ARG A 94 -16.640 2.713 4.091 1.00 72.31 H new ATOM 0 HD2 ARG A 94 -15.645 2.081 1.331 1.00 34.34 H new ATOM 0 HD3 ARG A 94 -14.646 1.580 2.681 1.00 34.34 H new ATOM 0 HE ARG A 94 -17.476 0.836 2.955 1.00 3.22 H new ATOM 0 HH11 ARG A 94 -14.287 -0.064 1.736 1.00 74.31 H new ATOM 0 HH12 ARG A 94 -14.654 -1.792 1.718 1.00 74.31 H new ATOM 0 HH21 ARG A 94 -17.940 -1.384 2.931 1.00 22.31 H new ATOM 0 HH22 ARG A 94 -16.714 -2.537 2.392 1.00 22.31 H new ATOM 1581 N ILE A 95 -19.781 5.394 1.433 1.00 12.33 N ATOM 1582 CA ILE A 95 -20.460 6.643 1.111 1.00 2.42 C ATOM 1583 C ILE A 95 -21.847 6.695 1.744 1.00 65.45 C ATOM 1584 O ILE A 95 -22.385 7.772 1.998 1.00 14.54 O ATOM 1585 CB ILE A 95 -20.595 6.835 -0.411 1.00 23.40 C ATOM 1586 CG1 ILE A 95 -19.233 7.158 -1.029 1.00 63.50 C ATOM 1587 CG2 ILE A 95 -21.597 7.937 -0.720 1.00 31.43 C ATOM 1588 CD1 ILE A 95 -19.210 7.039 -2.537 1.00 11.11 C ATOM 0 H ILE A 95 -19.796 4.700 0.685 1.00 12.33 H new ATOM 0 HA ILE A 95 -19.848 7.448 1.517 1.00 2.42 H new ATOM 0 HB ILE A 95 -20.961 5.906 -0.848 1.00 23.40 H new ATOM 0 HG12 ILE A 95 -18.947 8.172 -0.748 1.00 63.50 H new ATOM 0 HG13 ILE A 95 -18.484 6.487 -0.608 1.00 63.50 H new ATOM 0 HG21 ILE A 95 -21.681 8.060 -1.800 1.00 31.43 H new ATOM 0 HG22 ILE A 95 -22.570 7.670 -0.309 1.00 31.43 H new ATOM 0 HG23 ILE A 95 -21.259 8.872 -0.273 1.00 31.43 H new ATOM 0 HD11 ILE A 95 -18.214 7.282 -2.906 1.00 11.11 H new ATOM 0 HD12 ILE A 95 -19.465 6.019 -2.825 1.00 11.11 H new ATOM 0 HD13 ILE A 95 -19.935 7.730 -2.968 1.00 11.11 H new ATOM 1600 N LEU A 96 -22.419 5.523 1.996 1.00 21.31 N ATOM 1601 CA LEU A 96 -23.743 5.433 2.601 1.00 33.22 C ATOM 1602 C LEU A 96 -23.651 5.482 4.123 1.00 52.40 C ATOM 1603 O LEU A 96 -24.642 5.742 4.808 1.00 43.35 O ATOM 1604 CB LEU A 96 -24.439 4.143 2.163 1.00 54.12 C ATOM 1605 CG LEU A 96 -25.446 4.279 1.020 1.00 33.11 C ATOM 1606 CD1 LEU A 96 -26.580 5.212 1.416 1.00 42.54 C ATOM 1607 CD2 LEU A 96 -24.757 4.778 -0.241 1.00 51.34 C ATOM 0 H LEU A 96 -21.987 4.622 1.791 1.00 21.31 H new ATOM 0 HA LEU A 96 -24.328 6.288 2.263 1.00 33.22 H new ATOM 0 HB2 LEU A 96 -23.675 3.425 1.864 1.00 54.12 H new ATOM 0 HB3 LEU A 96 -24.954 3.720 3.026 1.00 54.12 H new ATOM 0 HG LEU A 96 -25.868 3.295 0.814 1.00 33.11 H new ATOM 0 HD11 LEU A 96 -27.287 5.297 0.590 1.00 42.54 H new ATOM 0 HD12 LEU A 96 -27.091 4.812 2.292 1.00 42.54 H new ATOM 0 HD13 LEU A 96 -26.176 6.197 1.650 1.00 42.54 H new ATOM 0 HD21 LEU A 96 -25.489 4.869 -1.044 1.00 51.34 H new ATOM 0 HD22 LEU A 96 -24.307 5.752 -0.049 1.00 51.34 H new ATOM 0 HD23 LEU A 96 -23.981 4.071 -0.536 1.00 51.34 H new ATOM 1619 N LEU A 97 -22.456 5.234 4.646 1.00 21.24 N ATOM 1620 CA LEU A 97 -22.233 5.252 6.088 1.00 11.30 C ATOM 1621 C LEU A 97 -22.937 6.442 6.733 1.00 44.45 C ATOM 1622 O LEU A 97 -23.192 7.464 6.095 1.00 42.04 O ATOM 1623 CB LEU A 97 -20.735 5.305 6.392 1.00 42.33 C ATOM 1624 CG LEU A 97 -20.119 4.026 6.960 1.00 74.02 C ATOM 1625 CD1 LEU A 97 -20.444 2.836 6.070 1.00 52.54 C ATOM 1626 CD2 LEU A 97 -18.614 4.182 7.116 1.00 2.10 C ATOM 0 H LEU A 97 -21.626 5.018 4.094 1.00 21.24 H new ATOM 0 HA LEU A 97 -22.650 4.336 6.507 1.00 11.30 H new ATOM 0 HB2 LEU A 97 -20.207 5.562 5.473 1.00 42.33 H new ATOM 0 HB3 LEU A 97 -20.557 6.115 7.099 1.00 42.33 H new ATOM 0 HG LEU A 97 -20.549 3.845 7.945 1.00 74.02 H new ATOM 0 HD11 LEU A 97 -19.997 1.935 6.490 1.00 52.54 H new ATOM 0 HD12 LEU A 97 -21.525 2.711 6.010 1.00 52.54 H new ATOM 0 HD13 LEU A 97 -20.043 3.008 5.071 1.00 52.54 H new ATOM 0 HD21 LEU A 97 -18.193 3.262 7.521 1.00 2.10 H new ATOM 0 HD22 LEU A 97 -18.167 4.388 6.144 1.00 2.10 H new ATOM 0 HD23 LEU A 97 -18.402 5.008 7.795 1.00 2.10 H new ATOM 1638 N PRO A 98 -23.256 6.310 8.028 1.00 13.44 N ATOM 1639 CA PRO A 98 -23.932 7.366 8.789 1.00 50.14 C ATOM 1640 C PRO A 98 -23.031 8.572 9.033 1.00 71.13 C ATOM 1641 O PRO A 98 -23.480 9.717 8.970 1.00 24.24 O ATOM 1642 CB PRO A 98 -24.280 6.682 10.113 1.00 54.01 C ATOM 1643 CG PRO A 98 -23.278 5.589 10.250 1.00 61.53 C ATOM 1644 CD PRO A 98 -22.982 5.120 8.852 1.00 53.54 C ATOM 0 HA PRO A 98 -24.798 7.761 8.257 1.00 50.14 H new ATOM 0 HB2 PRO A 98 -24.220 7.381 10.947 1.00 54.01 H new ATOM 0 HB3 PRO A 98 -25.296 6.288 10.100 1.00 54.01 H new ATOM 0 HG2 PRO A 98 -22.373 5.948 10.741 1.00 61.53 H new ATOM 0 HG3 PRO A 98 -23.670 4.775 10.860 1.00 61.53 H new ATOM 0 HD2 PRO A 98 -21.948 4.789 8.749 1.00 53.54 H new ATOM 0 HD3 PRO A 98 -23.615 4.280 8.567 1.00 53.54 H new ATOM 1652 N TYR A 99 -21.759 8.308 9.310 1.00 33.52 N ATOM 1653 CA TYR A 99 -20.796 9.372 9.566 1.00 64.53 C ATOM 1654 C TYR A 99 -20.491 10.149 8.289 1.00 72.02 C ATOM 1655 O TYR A 99 -20.442 11.378 8.295 1.00 11.41 O ATOM 1656 CB TYR A 99 -19.504 8.790 10.143 1.00 44.45 C ATOM 1657 CG TYR A 99 -19.730 7.827 11.285 1.00 34.52 C ATOM 1658 CD1 TYR A 99 -20.065 8.287 12.553 1.00 71.24 C ATOM 1659 CD2 TYR A 99 -19.611 6.455 11.097 1.00 60.02 C ATOM 1660 CE1 TYR A 99 -20.272 7.410 13.599 1.00 34.34 C ATOM 1661 CE2 TYR A 99 -19.818 5.570 12.138 1.00 41.35 C ATOM 1662 CZ TYR A 99 -20.148 6.053 13.387 1.00 61.51 C ATOM 1663 OH TYR A 99 -20.355 5.175 14.427 1.00 40.42 O ATOM 0 H TYR A 99 -21.371 7.366 9.363 1.00 33.52 H new ATOM 0 HA TYR A 99 -21.234 10.058 10.291 1.00 64.53 H new ATOM 0 HB2 TYR A 99 -18.960 8.278 9.349 1.00 44.45 H new ATOM 0 HB3 TYR A 99 -18.870 9.607 10.488 1.00 44.45 H new ATOM 0 HD1 TYR A 99 -20.165 9.349 12.723 1.00 71.24 H new ATOM 0 HD2 TYR A 99 -19.352 6.074 10.120 1.00 60.02 H new ATOM 0 HE1 TYR A 99 -20.530 7.785 14.579 1.00 34.34 H new ATOM 0 HE2 TYR A 99 -19.722 4.507 11.975 1.00 41.35 H new ATOM 0 HH TYR A 99 -20.230 4.256 14.109 1.00 40.42 H new ATOM 1673 N GLU A 100 -20.288 9.421 7.195 1.00 52.31 N ATOM 1674 CA GLU A 100 -19.988 10.042 5.910 1.00 54.20 C ATOM 1675 C GLU A 100 -21.170 10.873 5.419 1.00 40.55 C ATOM 1676 O GLU A 100 -21.001 12.007 4.969 1.00 2.24 O ATOM 1677 CB GLU A 100 -19.635 8.974 4.872 1.00 13.45 C ATOM 1678 CG GLU A 100 -18.821 9.506 3.705 1.00 21.20 C ATOM 1679 CD GLU A 100 -17.859 8.475 3.148 1.00 64.12 C ATOM 1680 OE1 GLU A 100 -17.165 7.816 3.951 1.00 12.31 O ATOM 1681 OE2 GLU A 100 -17.799 8.327 1.909 1.00 25.25 O ATOM 0 H GLU A 100 -20.326 8.402 7.173 1.00 52.31 H new ATOM 0 HA GLU A 100 -19.132 10.703 6.046 1.00 54.20 H new ATOM 0 HB2 GLU A 100 -19.076 8.176 5.360 1.00 13.45 H new ATOM 0 HB3 GLU A 100 -20.555 8.532 4.491 1.00 13.45 H new ATOM 0 HG2 GLU A 100 -19.497 9.832 2.914 1.00 21.20 H new ATOM 0 HG3 GLU A 100 -18.261 10.384 4.028 1.00 21.20 H new ATOM 1688 N ARG A 101 -22.366 10.301 5.507 1.00 71.12 N ATOM 1689 CA ARG A 101 -23.576 10.987 5.070 1.00 42.42 C ATOM 1690 C ARG A 101 -23.880 12.180 5.972 1.00 71.12 C ATOM 1691 O ARG A 101 -24.397 13.201 5.516 1.00 64.31 O ATOM 1692 CB ARG A 101 -24.762 10.022 5.065 1.00 33.34 C ATOM 1693 CG ARG A 101 -25.261 9.663 6.456 1.00 64.23 C ATOM 1694 CD ARG A 101 -26.484 8.762 6.394 1.00 70.24 C ATOM 1695 NE ARG A 101 -27.673 9.483 5.948 1.00 51.20 N ATOM 1696 CZ ARG A 101 -28.843 8.899 5.714 1.00 64.54 C ATOM 1697 NH1 ARG A 101 -28.979 7.591 5.882 1.00 72.51 N ATOM 1698 NH2 ARG A 101 -29.879 9.623 5.310 1.00 23.33 N ATOM 0 H ARG A 101 -22.523 9.364 5.877 1.00 71.12 H new ATOM 0 HA ARG A 101 -23.410 11.352 4.056 1.00 42.42 H new ATOM 0 HB2 ARG A 101 -25.580 10.468 4.499 1.00 33.34 H new ATOM 0 HB3 ARG A 101 -24.474 9.109 4.544 1.00 33.34 H new ATOM 0 HG2 ARG A 101 -24.467 9.163 7.011 1.00 64.23 H new ATOM 0 HG3 ARG A 101 -25.506 10.574 7.002 1.00 64.23 H new ATOM 0 HD2 ARG A 101 -26.288 7.931 5.716 1.00 70.24 H new ATOM 0 HD3 ARG A 101 -26.668 8.333 7.379 1.00 70.24 H new ATOM 0 HE ARG A 101 -27.601 10.491 5.808 1.00 51.20 H new ATOM 0 HH11 ARG A 101 -28.184 7.031 6.191 1.00 72.51 H new ATOM 0 HH12 ARG A 101 -29.878 7.144 5.702 1.00 72.51 H new ATOM 0 HH21 ARG A 101 -29.778 10.629 5.179 1.00 23.33 H new ATOM 0 HH22 ARG A 101 -30.777 9.173 5.131 1.00 23.33 H new ATOM 1712 N HIS A 102 -23.557 12.043 7.254 1.00 51.30 N ATOM 1713 CA HIS A 102 -23.796 13.109 8.220 1.00 1.53 C ATOM 1714 C HIS A 102 -22.898 14.310 7.938 1.00 42.04 C ATOM 1715 O HIS A 102 -23.351 15.454 7.957 1.00 3.13 O ATOM 1716 CB HIS A 102 -23.555 12.601 9.642 1.00 11.21 C ATOM 1717 CG HIS A 102 -24.787 12.062 10.302 1.00 3.21 C ATOM 1718 ND1 HIS A 102 -26.029 12.644 10.166 1.00 14.35 N ATOM 1719 CD2 HIS A 102 -24.962 10.987 11.105 1.00 74.41 C ATOM 1720 CE1 HIS A 102 -26.916 11.951 10.859 1.00 43.23 C ATOM 1721 NE2 HIS A 102 -26.294 10.940 11.437 1.00 21.33 N ATOM 0 H HIS A 102 -23.129 11.205 7.648 1.00 51.30 H new ATOM 0 HA HIS A 102 -24.835 13.424 8.126 1.00 1.53 H new ATOM 0 HB2 HIS A 102 -22.795 11.820 9.616 1.00 11.21 H new ATOM 0 HB3 HIS A 102 -23.155 13.415 10.247 1.00 11.21 H new ATOM 0 HD2 HIS A 102 -24.197 10.295 11.425 1.00 74.41 H new ATOM 0 HE1 HIS A 102 -27.970 12.174 10.939 1.00 43.23 H new ATOM 0 HE2 HIS A 102 -26.732 10.238 12.033 1.00 21.33 H new ATOM 1729 N MET A 103 -21.623 14.041 7.676 1.00 60.42 N ATOM 1730 CA MET A 103 -20.662 15.099 7.389 1.00 41.31 C ATOM 1731 C MET A 103 -21.096 15.912 6.173 1.00 5.33 C ATOM 1732 O MET A 103 -20.922 17.131 6.136 1.00 30.12 O ATOM 1733 CB MET A 103 -19.272 14.505 7.150 1.00 14.24 C ATOM 1734 CG MET A 103 -18.615 13.972 8.413 1.00 63.22 C ATOM 1735 SD MET A 103 -18.213 15.276 9.591 1.00 44.32 S ATOM 1736 CE MET A 103 -19.103 14.712 11.038 1.00 34.55 C ATOM 0 H MET A 103 -21.232 13.099 7.657 1.00 60.42 H new ATOM 0 HA MET A 103 -20.622 15.763 8.253 1.00 41.31 H new ATOM 0 HB2 MET A 103 -19.351 13.697 6.422 1.00 14.24 H new ATOM 0 HB3 MET A 103 -18.630 15.268 6.710 1.00 14.24 H new ATOM 0 HG2 MET A 103 -19.281 13.252 8.888 1.00 63.22 H new ATOM 0 HG3 MET A 103 -17.704 13.436 8.146 1.00 63.22 H new ATOM 0 HE1 MET A 103 -18.952 15.417 11.856 1.00 34.55 H new ATOM 0 HE2 MET A 103 -20.166 14.645 10.808 1.00 34.55 H new ATOM 0 HE3 MET A 103 -18.733 13.730 11.333 1.00 34.55 H new ATOM 1746 N ILE A 104 -21.659 15.231 5.182 1.00 72.23 N ATOM 1747 CA ILE A 104 -22.118 15.891 3.966 1.00 63.13 C ATOM 1748 C ILE A 104 -23.528 16.445 4.139 1.00 3.13 C ATOM 1749 O ILE A 104 -23.949 17.338 3.405 1.00 54.33 O ATOM 1750 CB ILE A 104 -22.101 14.930 2.763 1.00 63.54 C ATOM 1751 CG1 ILE A 104 -23.017 13.733 3.025 1.00 33.22 C ATOM 1752 CG2 ILE A 104 -20.681 14.464 2.477 1.00 21.50 C ATOM 1753 CD1 ILE A 104 -23.092 12.763 1.867 1.00 42.14 C ATOM 0 H ILE A 104 -21.809 14.222 5.197 1.00 72.23 H new ATOM 0 HA ILE A 104 -21.428 16.713 3.774 1.00 63.13 H new ATOM 0 HB ILE A 104 -22.472 15.462 1.887 1.00 63.54 H new ATOM 0 HG12 ILE A 104 -22.664 13.203 3.910 1.00 33.22 H new ATOM 0 HG13 ILE A 104 -24.020 14.096 3.250 1.00 33.22 H new ATOM 0 HG21 ILE A 104 -20.686 13.785 1.624 1.00 21.50 H new ATOM 0 HG22 ILE A 104 -20.054 15.326 2.251 1.00 21.50 H new ATOM 0 HG23 ILE A 104 -20.285 13.946 3.351 1.00 21.50 H new ATOM 0 HD11 ILE A 104 -23.759 11.940 2.124 1.00 42.14 H new ATOM 0 HD12 ILE A 104 -23.474 13.278 0.985 1.00 42.14 H new ATOM 0 HD13 ILE A 104 -22.097 12.371 1.656 1.00 42.14 H new ATOM 1765 N SER A 105 -24.252 15.910 5.117 1.00 4.34 N ATOM 1766 CA SER A 105 -25.616 16.350 5.387 1.00 24.10 C ATOM 1767 C SER A 105 -25.638 17.810 5.829 1.00 34.12 C ATOM 1768 O SER A 105 -26.599 18.533 5.568 1.00 33.01 O ATOM 1769 CB SER A 105 -26.255 15.469 6.463 1.00 45.43 C ATOM 1770 OG SER A 105 -27.081 16.234 7.323 1.00 2.12 O ATOM 0 H SER A 105 -23.917 15.171 5.735 1.00 4.34 H new ATOM 0 HA SER A 105 -26.190 16.259 4.465 1.00 24.10 H new ATOM 0 HB2 SER A 105 -26.845 14.683 5.991 1.00 45.43 H new ATOM 0 HB3 SER A 105 -25.476 14.977 7.045 1.00 45.43 H new ATOM 0 HG SER A 105 -27.479 15.648 8.001 1.00 2.12 H new ATOM 1776 N GLN A 106 -24.573 18.235 6.500 1.00 3.12 N ATOM 1777 CA GLN A 106 -24.470 19.608 6.980 1.00 54.33 C ATOM 1778 C GLN A 106 -24.646 20.599 5.834 1.00 15.40 C ATOM 1779 O GLN A 106 -25.255 21.656 6.003 1.00 22.53 O ATOM 1780 CB GLN A 106 -23.120 19.833 7.661 1.00 3.45 C ATOM 1781 CG GLN A 106 -23.144 19.575 9.159 1.00 24.23 C ATOM 1782 CD GLN A 106 -22.283 20.553 9.934 1.00 22.12 C ATOM 1783 OE1 GLN A 106 -21.170 20.226 10.348 1.00 41.15 O ATOM 1784 NE2 GLN A 106 -22.794 21.762 10.135 1.00 34.35 N ATOM 0 H GLN A 106 -23.769 17.649 6.724 1.00 3.12 H new ATOM 0 HA GLN A 106 -25.266 19.773 7.706 1.00 54.33 H new ATOM 0 HB2 GLN A 106 -22.377 19.182 7.200 1.00 3.45 H new ATOM 0 HB3 GLN A 106 -22.799 20.859 7.483 1.00 3.45 H new ATOM 0 HG2 GLN A 106 -24.171 19.638 9.518 1.00 24.23 H new ATOM 0 HG3 GLN A 106 -22.799 18.560 9.354 1.00 24.23 H new ATOM 0 HE21 GLN A 106 -23.720 21.991 9.774 1.00 34.35 H new ATOM 0 HE22 GLN A 106 -22.260 22.462 10.650 1.00 34.35 H new ATOM 1793 N GLU A 107 -24.110 20.251 4.669 1.00 45.22 N ATOM 1794 CA GLU A 107 -24.207 21.112 3.496 1.00 70.11 C ATOM 1795 C GLU A 107 -25.074 20.467 2.418 1.00 22.12 C ATOM 1796 O GLU A 107 -24.963 20.795 1.238 1.00 43.42 O ATOM 1797 CB GLU A 107 -22.814 21.408 2.936 1.00 52.20 C ATOM 1798 CG GLU A 107 -22.727 22.727 2.187 1.00 53.24 C ATOM 1799 CD GLU A 107 -21.407 23.439 2.410 1.00 13.21 C ATOM 1800 OE1 GLU A 107 -20.934 23.461 3.566 1.00 61.14 O ATOM 1801 OE2 GLU A 107 -20.848 23.975 1.430 1.00 31.45 O ATOM 0 H GLU A 107 -23.604 19.379 4.512 1.00 45.22 H new ATOM 0 HA GLU A 107 -24.674 22.048 3.802 1.00 70.11 H new ATOM 0 HB2 GLU A 107 -22.096 21.418 3.756 1.00 52.20 H new ATOM 0 HB3 GLU A 107 -22.522 20.599 2.266 1.00 52.20 H new ATOM 0 HG2 GLU A 107 -22.861 22.545 1.121 1.00 53.24 H new ATOM 0 HG3 GLU A 107 -23.543 23.375 2.505 1.00 53.24 H new ATOM 1808 N GLY A 108 -25.937 19.545 2.834 1.00 14.53 N ATOM 1809 CA GLY A 108 -26.810 18.868 1.893 1.00 31.04 C ATOM 1810 C GLY A 108 -27.851 18.009 2.583 1.00 30.22 C ATOM 1811 O GLY A 108 -28.026 16.839 2.241 1.00 63.13 O ATOM 0 H GLY A 108 -26.047 19.255 3.806 1.00 14.53 H new ATOM 0 HA2 GLY A 108 -27.310 19.608 1.269 1.00 31.04 H new ATOM 0 HA3 GLY A 108 -26.210 18.244 1.230 1.00 31.04 H new ATOM 1815 N ILE A 109 -28.543 18.589 3.558 1.00 23.33 N ATOM 1816 CA ILE A 109 -29.571 17.868 4.298 1.00 20.50 C ATOM 1817 C ILE A 109 -30.639 17.316 3.359 1.00 0.44 C ATOM 1818 O ILE A 109 -31.322 16.343 3.680 1.00 4.44 O ATOM 1819 CB ILE A 109 -30.244 18.769 5.350 1.00 22.54 C ATOM 1820 CG1 ILE A 109 -30.661 20.100 4.722 1.00 72.31 C ATOM 1821 CG2 ILE A 109 -29.306 19.002 6.525 1.00 2.22 C ATOM 1822 CD1 ILE A 109 -31.615 20.900 5.580 1.00 13.34 C ATOM 0 H ILE A 109 -28.410 19.556 3.854 1.00 23.33 H new ATOM 0 HA ILE A 109 -29.074 17.041 4.805 1.00 20.50 H new ATOM 0 HB ILE A 109 -31.139 18.267 5.718 1.00 22.54 H new ATOM 0 HG12 ILE A 109 -29.770 20.697 4.530 1.00 72.31 H new ATOM 0 HG13 ILE A 109 -31.129 19.906 3.757 1.00 72.31 H new ATOM 0 HG21 ILE A 109 -29.796 19.641 7.260 1.00 2.22 H new ATOM 0 HG22 ILE A 109 -29.054 18.046 6.985 1.00 2.22 H new ATOM 0 HG23 ILE A 109 -28.395 19.486 6.173 1.00 2.22 H new ATOM 0 HD11 ILE A 109 -31.868 21.831 5.072 1.00 13.34 H new ATOM 0 HD12 ILE A 109 -32.523 20.322 5.751 1.00 13.34 H new ATOM 0 HD13 ILE A 109 -31.143 21.125 6.536 1.00 13.34 H new ATOM 1834 N LYS A 110 -30.777 17.944 2.196 1.00 34.14 N ATOM 1835 CA LYS A 110 -31.760 17.516 1.208 1.00 61.33 C ATOM 1836 C LYS A 110 -31.535 16.060 0.812 1.00 65.12 C ATOM 1837 O LYS A 110 -32.462 15.373 0.386 1.00 52.14 O ATOM 1838 CB LYS A 110 -31.689 18.409 -0.033 1.00 4.45 C ATOM 1839 CG LYS A 110 -32.675 19.564 -0.008 1.00 35.30 C ATOM 1840 CD LYS A 110 -32.354 20.548 1.104 1.00 52.53 C ATOM 1841 CE LYS A 110 -32.270 21.974 0.579 1.00 74.41 C ATOM 1842 NZ LYS A 110 -31.083 22.173 -0.298 1.00 33.12 N ATOM 0 H LYS A 110 -30.220 18.751 1.915 1.00 34.14 H new ATOM 0 HA LYS A 110 -32.750 17.604 1.656 1.00 61.33 H new ATOM 0 HB2 LYS A 110 -30.679 18.807 -0.127 1.00 4.45 H new ATOM 0 HB3 LYS A 110 -31.876 17.802 -0.919 1.00 4.45 H new ATOM 0 HG2 LYS A 110 -32.657 20.080 -0.968 1.00 35.30 H new ATOM 0 HG3 LYS A 110 -33.685 19.178 0.127 1.00 35.30 H new ATOM 0 HD2 LYS A 110 -33.120 20.488 1.877 1.00 52.53 H new ATOM 0 HD3 LYS A 110 -31.408 20.275 1.571 1.00 52.53 H new ATOM 0 HE2 LYS A 110 -33.177 22.210 0.022 1.00 74.41 H new ATOM 0 HE3 LYS A 110 -32.222 22.668 1.418 1.00 74.41 H new ATOM 0 HZ1 LYS A 110 -30.945 23.189 -0.470 1.00 33.12 H new ATOM 0 HZ2 LYS A 110 -30.239 21.782 0.167 1.00 33.12 H new ATOM 0 HZ3 LYS A 110 -31.236 21.686 -1.204 1.00 33.12 H new ATOM 1856 N GLU A 111 -30.297 15.596 0.957 1.00 11.43 N ATOM 1857 CA GLU A 111 -29.952 14.222 0.615 1.00 21.31 C ATOM 1858 C GLU A 111 -30.462 13.252 1.677 1.00 2.14 C ATOM 1859 O GLU A 111 -30.702 12.077 1.399 1.00 64.33 O ATOM 1860 CB GLU A 111 -28.436 14.076 0.461 1.00 15.13 C ATOM 1861 CG GLU A 111 -28.009 13.568 -0.906 1.00 35.15 C ATOM 1862 CD GLU A 111 -27.660 14.691 -1.862 1.00 63.04 C ATOM 1863 OE1 GLU A 111 -28.388 15.705 -1.880 1.00 31.13 O ATOM 1864 OE2 GLU A 111 -26.656 14.555 -2.594 1.00 15.41 O ATOM 0 H GLU A 111 -29.517 16.152 1.309 1.00 11.43 H new ATOM 0 HA GLU A 111 -30.431 13.980 -0.334 1.00 21.31 H new ATOM 0 HB2 GLU A 111 -27.966 15.042 0.643 1.00 15.13 H new ATOM 0 HB3 GLU A 111 -28.066 13.393 1.225 1.00 15.13 H new ATOM 0 HG2 GLU A 111 -27.146 12.911 -0.792 1.00 35.15 H new ATOM 0 HG3 GLU A 111 -28.812 12.968 -1.334 1.00 35.15 H new ATOM 1871 N THR A 112 -30.625 13.753 2.898 1.00 20.01 N ATOM 1872 CA THR A 112 -31.104 12.933 4.003 1.00 32.51 C ATOM 1873 C THR A 112 -32.555 12.515 3.789 1.00 4.03 C ATOM 1874 O THR A 112 -32.895 11.338 3.909 1.00 43.42 O ATOM 1875 CB THR A 112 -30.989 13.677 5.347 1.00 60.03 C ATOM 1876 OG1 THR A 112 -29.643 14.124 5.545 1.00 31.03 O ATOM 1877 CG2 THR A 112 -31.406 12.778 6.501 1.00 64.10 C ATOM 0 H THR A 112 -30.432 14.723 3.146 1.00 20.01 H new ATOM 0 HA THR A 112 -30.473 12.045 4.033 1.00 32.51 H new ATOM 0 HB THR A 112 -31.657 14.538 5.319 1.00 60.03 H new ATOM 0 HG1 THR A 112 -29.578 14.598 6.401 1.00 31.03 H new ATOM 0 HG21 THR A 112 -31.316 13.325 7.439 1.00 64.10 H new ATOM 0 HG22 THR A 112 -32.440 12.463 6.362 1.00 64.10 H new ATOM 0 HG23 THR A 112 -30.761 11.900 6.530 1.00 64.10 H new ATOM 1885 N GLN A 113 -33.405 13.486 3.472 1.00 45.40 N ATOM 1886 CA GLN A 113 -34.819 13.218 3.241 1.00 30.15 C ATOM 1887 C GLN A 113 -35.009 12.278 2.056 1.00 65.42 C ATOM 1888 O GLN A 113 -36.035 11.608 1.940 1.00 44.21 O ATOM 1889 CB GLN A 113 -35.575 14.525 2.997 1.00 44.24 C ATOM 1890 CG GLN A 113 -36.272 15.066 4.234 1.00 31.24 C ATOM 1891 CD GLN A 113 -35.986 16.536 4.470 1.00 32.23 C ATOM 1892 OE1 GLN A 113 -35.122 16.891 5.273 1.00 53.04 O ATOM 1893 NE2 GLN A 113 -36.712 17.400 3.771 1.00 42.15 N ATOM 0 H GLN A 113 -33.139 14.465 3.369 1.00 45.40 H new ATOM 0 HA GLN A 113 -35.221 12.735 4.132 1.00 30.15 H new ATOM 0 HB2 GLN A 113 -34.876 15.275 2.627 1.00 44.24 H new ATOM 0 HB3 GLN A 113 -36.316 14.365 2.214 1.00 44.24 H new ATOM 0 HG2 GLN A 113 -37.348 14.921 4.133 1.00 31.24 H new ATOM 0 HG3 GLN A 113 -35.954 14.494 5.105 1.00 31.24 H new ATOM 0 HE21 GLN A 113 -37.417 17.061 3.117 1.00 42.15 H new ATOM 0 HE22 GLN A 113 -36.565 18.402 3.888 1.00 42.15 H new ATOM 1902 N ALA A 114 -34.012 12.233 1.177 1.00 33.34 N ATOM 1903 CA ALA A 114 -34.069 11.373 0.001 1.00 3.35 C ATOM 1904 C ALA A 114 -34.062 9.901 0.397 1.00 31.41 C ATOM 1905 O ALA A 114 -34.552 9.046 -0.342 1.00 5.01 O ATOM 1906 CB ALA A 114 -32.905 11.677 -0.930 1.00 61.34 C ATOM 0 H ALA A 114 -33.156 12.782 1.257 1.00 33.34 H new ATOM 0 HA ALA A 114 -35.003 11.576 -0.523 1.00 3.35 H new ATOM 0 HB1 ALA A 114 -32.959 11.028 -1.804 1.00 61.34 H new ATOM 0 HB2 ALA A 114 -32.955 12.719 -1.248 1.00 61.34 H new ATOM 0 HB3 ALA A 114 -31.965 11.503 -0.406 1.00 61.34 H new ATOM 1912 N LYS A 115 -33.504 9.610 1.567 1.00 21.42 N ATOM 1913 CA LYS A 115 -33.433 8.240 2.062 1.00 14.04 C ATOM 1914 C LYS A 115 -34.726 7.851 2.772 1.00 11.05 C ATOM 1915 O LYS A 115 -35.185 8.552 3.675 1.00 63.21 O ATOM 1916 CB LYS A 115 -32.247 8.081 3.016 1.00 14.24 C ATOM 1917 CG LYS A 115 -31.789 6.643 3.183 1.00 71.31 C ATOM 1918 CD LYS A 115 -32.566 5.933 4.279 1.00 54.12 C ATOM 1919 CE LYS A 115 -31.852 4.673 4.742 1.00 33.41 C ATOM 1920 NZ LYS A 115 -31.583 3.740 3.612 1.00 14.53 N ATOM 0 H LYS A 115 -33.094 10.305 2.191 1.00 21.42 H new ATOM 0 HA LYS A 115 -33.295 7.578 1.207 1.00 14.04 H new ATOM 0 HB2 LYS A 115 -31.413 8.679 2.648 1.00 14.24 H new ATOM 0 HB3 LYS A 115 -32.520 8.482 3.992 1.00 14.24 H new ATOM 0 HG2 LYS A 115 -31.916 6.108 2.242 1.00 71.31 H new ATOM 0 HG3 LYS A 115 -30.725 6.624 3.420 1.00 71.31 H new ATOM 0 HD2 LYS A 115 -32.702 6.607 5.125 1.00 54.12 H new ATOM 0 HD3 LYS A 115 -33.560 5.676 3.913 1.00 54.12 H new ATOM 0 HE2 LYS A 115 -30.911 4.944 5.221 1.00 33.41 H new ATOM 0 HE3 LYS A 115 -32.458 4.168 5.494 1.00 33.41 H new ATOM 0 HZ1 LYS A 115 -31.268 2.822 3.987 1.00 14.53 H new ATOM 0 HZ2 LYS A 115 -32.452 3.607 3.057 1.00 14.53 H new ATOM 0 HZ3 LYS A 115 -30.840 4.138 3.002 1.00 14.53 H new ATOM 1934 N ARG A 116 -35.308 6.730 2.360 1.00 30.42 N ATOM 1935 CA ARG A 116 -36.548 6.248 2.957 1.00 23.25 C ATOM 1936 C ARG A 116 -36.819 4.802 2.554 1.00 74.51 C ATOM 1937 O ARG A 116 -36.969 4.495 1.371 1.00 30.41 O ATOM 1938 CB ARG A 116 -37.720 7.135 2.536 1.00 54.11 C ATOM 1939 CG ARG A 116 -38.325 7.930 3.682 1.00 73.15 C ATOM 1940 CD ARG A 116 -39.342 7.106 4.455 1.00 35.23 C ATOM 1941 NE ARG A 116 -40.694 7.643 4.326 1.00 13.24 N ATOM 1942 CZ ARG A 116 -41.758 7.107 4.915 1.00 64.33 C ATOM 1943 NH1 ARG A 116 -41.626 6.024 5.669 1.00 55.13 N ATOM 1944 NH2 ARG A 116 -42.955 7.654 4.750 1.00 72.33 N ATOM 0 H ARG A 116 -34.941 6.138 1.615 1.00 30.42 H new ATOM 0 HA ARG A 116 -36.441 6.291 4.041 1.00 23.25 H new ATOM 0 HB2 ARG A 116 -37.382 7.826 1.764 1.00 54.11 H new ATOM 0 HB3 ARG A 116 -38.494 6.511 2.089 1.00 54.11 H new ATOM 0 HG2 ARG A 116 -37.534 8.259 4.356 1.00 73.15 H new ATOM 0 HG3 ARG A 116 -38.804 8.828 3.291 1.00 73.15 H new ATOM 0 HD2 ARG A 116 -39.325 6.078 4.094 1.00 35.23 H new ATOM 0 HD3 ARG A 116 -39.062 7.079 5.508 1.00 35.23 H new ATOM 0 HE ARG A 116 -40.829 8.475 3.752 1.00 13.24 H new ATOM 0 HH11 ARG A 116 -40.707 5.601 5.798 1.00 55.13 H new ATOM 0 HH12 ARG A 116 -42.444 5.614 6.120 1.00 55.13 H new ATOM 0 HH21 ARG A 116 -43.060 8.487 4.171 1.00 72.33 H new ATOM 0 HH22 ARG A 116 -43.771 7.242 5.203 1.00 72.33 H new TER 1958 ARG A 116