USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 819 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 61 GLN : amide:sc=-0.00964 K(o=-0.0096,f=-1.4) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 38 HIS : no HD1:sc= -0.46! C(o=-1.8!,f=-15!) USER MOD Set 2.2: A 41 LYS NZ :NH3+ -170:sc= -1.33! (180deg=-2.45!) USER MOD Set 3.1: A 23 TYR OH : rot 130:sc= 0.0955 USER MOD Set 3.2: A 65 SER OG : rot -147:sc= 0.1 USER MOD Single : A 3 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.59) USER MOD Single : A 7 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.15) USER MOD Single : A 13 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1.5!) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0197 F(o=-1.2!,f=-0.02) USER MOD Single : A 17 LYS NZ :NH3+ -142:sc= -0.555 (180deg=-1.5!) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc=-0.00729 (180deg=-0.137) USER MOD Single : A 21 SER OG : rot -26:sc= 0.309 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 1.17 (180deg=1.01) USER MOD Single : A 29 MET CE :methyl -120:sc= -1.95 (180deg=-3.46) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.021) USER MOD Single : A 50 SER OG : rot -112:sc= 0.808 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= -1.21 F(o=-2.3,f=-1.2) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= -0.0429 (180deg=-0.258) USER MOD Single : A 74 GLN : amide:sc= -2.98 K(o=-3,f=-6.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -134:sc= 0.468 (180deg=-1.45) USER MOD Single : A 86 SER OG : rot 180:sc= -0.35 USER MOD Single : A 90 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0384) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 151:sc= 0.658 USER MOD Single : A 97 LYS NZ :NH3+ -132:sc= 1.14 (180deg=0.299) USER MOD Single : A 99 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -10.154 -8.071 15.612 1.00 64.03 N ATOM 21 CA ASP A 2 -10.558 -9.098 14.641 1.00 70.11 C ATOM 22 C ASP A 2 -9.346 -9.660 13.870 1.00 35.42 C ATOM 23 O ASP A 2 -8.416 -8.922 13.525 1.00 42.51 O ATOM 24 CB ASP A 2 -11.585 -8.516 13.664 1.00 52.23 C ATOM 25 CG ASP A 2 -12.284 -9.596 12.857 1.00 70.45 C ATOM 26 OD1 ASP A 2 -11.712 -10.064 11.854 1.00 22.00 O ATOM 27 OD2 ASP A 2 -13.405 -9.995 13.237 1.00 31.41 O ATOM 0 HA ASP A 2 -11.009 -9.923 15.192 1.00 70.11 H new ATOM 0 HB2 ASP A 2 -12.327 -7.942 14.219 1.00 52.23 H new ATOM 0 HB3 ASP A 2 -11.087 -7.823 12.986 1.00 52.23 H new ATOM 32 N GLN A 3 -9.376 -10.963 13.583 1.00 23.42 N ATOM 33 CA GLN A 3 -8.258 -11.643 12.914 1.00 74.05 C ATOM 34 C GLN A 3 -7.977 -11.071 11.517 1.00 42.23 C ATOM 35 O GLN A 3 -6.852 -11.156 11.025 1.00 44.32 O ATOM 36 CB GLN A 3 -8.528 -13.151 12.824 1.00 71.12 C ATOM 37 CG GLN A 3 -8.584 -13.846 14.183 1.00 71.03 C ATOM 38 CD GLN A 3 -7.286 -13.724 14.970 1.00 43.14 C ATOM 39 OE1 GLN A 3 -6.200 -13.644 14.404 1.00 4.25 O ATOM 40 NE2 GLN A 3 -7.389 -13.704 16.285 1.00 44.41 N ATOM 0 H GLN A 3 -10.164 -11.573 13.803 1.00 23.42 H new ATOM 0 HA GLN A 3 -7.369 -11.469 13.520 1.00 74.05 H new ATOM 0 HB2 GLN A 3 -9.472 -13.312 12.304 1.00 71.12 H new ATOM 0 HB3 GLN A 3 -7.749 -13.615 12.220 1.00 71.12 H new ATOM 0 HG2 GLN A 3 -9.399 -13.420 14.769 1.00 71.03 H new ATOM 0 HG3 GLN A 3 -8.815 -14.901 14.036 1.00 71.03 H new ATOM 0 HE21 GLN A 3 -8.306 -13.772 16.726 1.00 44.41 H new ATOM 0 HE22 GLN A 3 -6.551 -13.620 16.861 1.00 44.41 H new ATOM 49 N PHE A 4 -8.993 -10.491 10.878 1.00 45.25 N ATOM 50 CA PHE A 4 -8.808 -9.834 9.579 1.00 44.43 C ATOM 51 C PHE A 4 -7.696 -8.781 9.655 1.00 71.01 C ATOM 52 O PHE A 4 -6.740 -8.809 8.876 1.00 74.23 O ATOM 53 CB PHE A 4 -10.121 -9.189 9.112 1.00 33.13 C ATOM 54 CG PHE A 4 -9.974 -8.333 7.875 1.00 32.21 C ATOM 55 CD1 PHE A 4 -9.625 -8.902 6.660 1.00 62.15 C ATOM 56 CD2 PHE A 4 -10.181 -6.960 7.931 1.00 75.14 C ATOM 57 CE1 PHE A 4 -9.482 -8.123 5.528 1.00 3.45 C ATOM 58 CE2 PHE A 4 -10.040 -6.176 6.801 1.00 62.25 C ATOM 59 CZ PHE A 4 -9.689 -6.760 5.598 1.00 42.04 C ATOM 0 H PHE A 4 -9.948 -10.461 11.234 1.00 45.25 H new ATOM 0 HA PHE A 4 -8.514 -10.592 8.853 1.00 44.43 H new ATOM 0 HB2 PHE A 4 -10.851 -9.974 8.914 1.00 33.13 H new ATOM 0 HB3 PHE A 4 -10.522 -8.577 9.920 1.00 33.13 H new ATOM 0 HD1 PHE A 4 -9.463 -9.968 6.598 1.00 62.15 H new ATOM 0 HD2 PHE A 4 -10.455 -6.500 8.869 1.00 75.14 H new ATOM 0 HE1 PHE A 4 -9.208 -8.580 4.589 1.00 3.45 H new ATOM 0 HE2 PHE A 4 -10.204 -5.110 6.858 1.00 62.25 H new ATOM 0 HZ PHE A 4 -9.577 -6.150 4.714 1.00 42.04 H new ATOM 69 N LEU A 5 -7.818 -7.868 10.615 1.00 72.51 N ATOM 70 CA LEU A 5 -6.813 -6.824 10.823 1.00 13.30 C ATOM 71 C LEU A 5 -5.464 -7.431 11.236 1.00 54.15 C ATOM 72 O LEU A 5 -4.412 -7.031 10.739 1.00 33.52 O ATOM 73 CB LEU A 5 -7.293 -5.827 11.886 1.00 73.45 C ATOM 74 CG LEU A 5 -8.606 -5.096 11.554 1.00 24.20 C ATOM 75 CD1 LEU A 5 -8.969 -4.108 12.660 1.00 2.11 C ATOM 76 CD2 LEU A 5 -8.509 -4.390 10.201 1.00 32.20 C ATOM 0 H LEU A 5 -8.604 -7.828 11.264 1.00 72.51 H new ATOM 0 HA LEU A 5 -6.674 -6.296 9.880 1.00 13.30 H new ATOM 0 HB2 LEU A 5 -7.421 -6.359 12.829 1.00 73.45 H new ATOM 0 HB3 LEU A 5 -6.512 -5.083 12.043 1.00 73.45 H new ATOM 0 HG LEU A 5 -9.401 -5.839 11.489 1.00 24.20 H new ATOM 0 HD11 LEU A 5 -9.900 -3.602 12.405 1.00 2.11 H new ATOM 0 HD12 LEU A 5 -9.093 -4.644 13.601 1.00 2.11 H new ATOM 0 HD13 LEU A 5 -8.173 -3.371 12.765 1.00 2.11 H new ATOM 0 HD21 LEU A 5 -9.449 -3.881 9.988 1.00 32.20 H new ATOM 0 HD22 LEU A 5 -7.699 -3.661 10.228 1.00 32.20 H new ATOM 0 HD23 LEU A 5 -8.310 -5.125 9.421 1.00 32.20 H new ATOM 88 N VAL A 6 -5.512 -8.416 12.134 1.00 72.14 N ATOM 89 CA VAL A 6 -4.303 -9.098 12.617 1.00 32.14 C ATOM 90 C VAL A 6 -3.482 -9.703 11.462 1.00 55.20 C ATOM 91 O VAL A 6 -2.261 -9.550 11.406 1.00 71.31 O ATOM 92 CB VAL A 6 -4.664 -10.221 13.629 1.00 21.34 C ATOM 93 CG1 VAL A 6 -3.414 -10.941 14.136 1.00 53.32 C ATOM 94 CG2 VAL A 6 -5.471 -9.653 14.796 1.00 34.33 C ATOM 0 H VAL A 6 -6.378 -8.763 12.545 1.00 72.14 H new ATOM 0 HA VAL A 6 -3.696 -8.341 13.114 1.00 32.14 H new ATOM 0 HB VAL A 6 -5.278 -10.955 13.106 1.00 21.34 H new ATOM 0 HG11 VAL A 6 -3.704 -11.720 14.842 1.00 53.32 H new ATOM 0 HG12 VAL A 6 -2.887 -11.391 13.295 1.00 53.32 H new ATOM 0 HG13 VAL A 6 -2.759 -10.226 14.634 1.00 53.32 H new ATOM 0 HG21 VAL A 6 -5.714 -10.454 15.494 1.00 34.33 H new ATOM 0 HG22 VAL A 6 -4.883 -8.891 15.308 1.00 34.33 H new ATOM 0 HG23 VAL A 6 -6.392 -9.208 14.419 1.00 34.33 H new ATOM 104 N GLN A 7 -4.163 -10.376 10.535 1.00 61.24 N ATOM 105 CA GLN A 7 -3.490 -11.050 9.418 1.00 32.44 C ATOM 106 C GLN A 7 -2.954 -10.054 8.371 1.00 12.32 C ATOM 107 O GLN A 7 -1.781 -10.116 7.997 1.00 54.30 O ATOM 108 CB GLN A 7 -4.438 -12.062 8.753 1.00 40.12 C ATOM 109 CG GLN A 7 -4.893 -13.188 9.680 1.00 75.41 C ATOM 110 CD GLN A 7 -3.731 -13.955 10.298 1.00 13.02 C ATOM 111 OE1 GLN A 7 -3.237 -14.925 9.732 1.00 31.35 O ATOM 112 NE2 GLN A 7 -3.291 -13.532 11.470 1.00 32.31 N ATOM 0 H GLN A 7 -5.179 -10.471 10.533 1.00 61.24 H new ATOM 0 HA GLN A 7 -2.631 -11.578 9.832 1.00 32.44 H new ATOM 0 HB2 GLN A 7 -5.316 -11.533 8.383 1.00 40.12 H new ATOM 0 HB3 GLN A 7 -3.939 -12.497 7.887 1.00 40.12 H new ATOM 0 HG2 GLN A 7 -5.509 -12.770 10.476 1.00 75.41 H new ATOM 0 HG3 GLN A 7 -5.522 -13.880 9.120 1.00 75.41 H new ATOM 0 HE21 GLN A 7 -3.723 -12.722 11.915 1.00 32.31 H new ATOM 0 HE22 GLN A 7 -2.519 -14.015 11.930 1.00 32.31 H new ATOM 121 N ILE A 8 -3.802 -9.133 7.902 1.00 71.21 N ATOM 122 CA ILE A 8 -3.386 -8.170 6.871 1.00 1.12 C ATOM 123 C ILE A 8 -2.209 -7.294 7.346 1.00 43.54 C ATOM 124 O ILE A 8 -1.253 -7.076 6.600 1.00 55.24 O ATOM 125 CB ILE A 8 -4.555 -7.264 6.394 1.00 0.24 C ATOM 126 CG1 ILE A 8 -5.116 -6.416 7.549 1.00 73.03 C ATOM 127 CG2 ILE A 8 -5.662 -8.111 5.763 1.00 43.31 C ATOM 128 CD1 ILE A 8 -6.232 -5.474 7.134 1.00 22.42 C ATOM 0 H ILE A 8 -4.768 -9.032 8.213 1.00 71.21 H new ATOM 0 HA ILE A 8 -3.057 -8.770 6.022 1.00 1.12 H new ATOM 0 HB ILE A 8 -4.163 -6.580 5.641 1.00 0.24 H new ATOM 0 HG12 ILE A 8 -5.486 -7.081 8.329 1.00 73.03 H new ATOM 0 HG13 ILE A 8 -4.305 -5.833 7.986 1.00 73.03 H new ATOM 0 HG21 ILE A 8 -6.474 -7.462 5.434 1.00 43.31 H new ATOM 0 HG22 ILE A 8 -5.262 -8.654 4.907 1.00 43.31 H new ATOM 0 HG23 ILE A 8 -6.041 -8.821 6.498 1.00 43.31 H new ATOM 0 HD11 ILE A 8 -6.575 -4.911 8.002 1.00 22.42 H new ATOM 0 HD12 ILE A 8 -5.862 -4.783 6.377 1.00 22.42 H new ATOM 0 HD13 ILE A 8 -7.062 -6.051 6.725 1.00 22.42 H new ATOM 140 N PHE A 9 -2.271 -6.815 8.593 1.00 53.13 N ATOM 141 CA PHE A 9 -1.191 -5.995 9.159 1.00 12.33 C ATOM 142 C PHE A 9 0.108 -6.804 9.293 1.00 64.24 C ATOM 143 O PHE A 9 1.198 -6.289 9.041 1.00 31.54 O ATOM 144 CB PHE A 9 -1.597 -5.415 10.525 1.00 22.15 C ATOM 145 CG PHE A 9 -2.765 -4.455 10.472 1.00 64.31 C ATOM 146 CD1 PHE A 9 -3.160 -3.868 9.273 1.00 21.51 C ATOM 147 CD2 PHE A 9 -3.463 -4.132 11.626 1.00 62.51 C ATOM 148 CE1 PHE A 9 -4.227 -2.988 9.233 1.00 63.12 C ATOM 149 CE2 PHE A 9 -4.529 -3.252 11.590 1.00 1.12 C ATOM 150 CZ PHE A 9 -4.910 -2.681 10.392 1.00 25.23 C ATOM 0 H PHE A 9 -3.052 -6.979 9.228 1.00 53.13 H new ATOM 0 HA PHE A 9 -1.012 -5.169 8.471 1.00 12.33 H new ATOM 0 HB2 PHE A 9 -1.848 -6.237 11.195 1.00 22.15 H new ATOM 0 HB3 PHE A 9 -0.739 -4.901 10.958 1.00 22.15 H new ATOM 0 HD1 PHE A 9 -2.627 -4.102 8.363 1.00 21.51 H new ATOM 0 HD2 PHE A 9 -3.170 -4.574 12.567 1.00 62.51 H new ATOM 0 HE1 PHE A 9 -4.525 -2.542 8.296 1.00 63.12 H new ATOM 0 HE2 PHE A 9 -5.063 -3.012 12.498 1.00 1.12 H new ATOM 0 HZ PHE A 9 -5.743 -1.994 10.362 1.00 25.23 H new ATOM 160 N ALA A 10 -0.018 -8.078 9.678 1.00 42.20 N ATOM 161 CA ALA A 10 1.137 -8.983 9.769 1.00 71.12 C ATOM 162 C ALA A 10 1.873 -9.087 8.422 1.00 63.44 C ATOM 163 O ALA A 10 3.095 -9.228 8.377 1.00 64.10 O ATOM 164 CB ALA A 10 0.692 -10.364 10.239 1.00 41.22 C ATOM 0 H ALA A 10 -0.907 -8.508 9.932 1.00 42.20 H new ATOM 0 HA ALA A 10 1.832 -8.568 10.499 1.00 71.12 H new ATOM 0 HB1 ALA A 10 1.558 -11.023 10.302 1.00 41.22 H new ATOM 0 HB2 ALA A 10 0.227 -10.282 11.221 1.00 41.22 H new ATOM 0 HB3 ALA A 10 -0.027 -10.775 9.530 1.00 41.22 H new ATOM 170 N VAL A 11 1.117 -9.026 7.328 1.00 41.40 N ATOM 171 CA VAL A 11 1.699 -9.014 5.983 1.00 31.34 C ATOM 172 C VAL A 11 2.347 -7.651 5.669 1.00 71.41 C ATOM 173 O VAL A 11 3.435 -7.584 5.093 1.00 3.02 O ATOM 174 CB VAL A 11 0.633 -9.345 4.905 1.00 2.31 C ATOM 175 CG1 VAL A 11 1.263 -9.397 3.515 1.00 62.11 C ATOM 176 CG2 VAL A 11 -0.073 -10.662 5.231 1.00 50.22 C ATOM 0 H VAL A 11 0.098 -8.984 7.344 1.00 41.40 H new ATOM 0 HA VAL A 11 2.470 -9.784 5.961 1.00 31.34 H new ATOM 0 HB VAL A 11 -0.112 -8.549 4.908 1.00 2.31 H new ATOM 0 HG11 VAL A 11 0.496 -9.631 2.776 1.00 62.11 H new ATOM 0 HG12 VAL A 11 1.709 -8.430 3.281 1.00 62.11 H new ATOM 0 HG13 VAL A 11 2.034 -10.167 3.494 1.00 62.11 H new ATOM 0 HG21 VAL A 11 -0.817 -10.876 4.463 1.00 50.22 H new ATOM 0 HG22 VAL A 11 0.659 -11.469 5.262 1.00 50.22 H new ATOM 0 HG23 VAL A 11 -0.565 -10.581 6.200 1.00 50.22 H new ATOM 186 N ILE A 12 1.680 -6.569 6.072 1.00 3.24 N ATOM 187 CA ILE A 12 2.186 -5.207 5.851 1.00 11.13 C ATOM 188 C ILE A 12 3.556 -4.977 6.523 1.00 23.30 C ATOM 189 O ILE A 12 4.458 -4.377 5.933 1.00 11.13 O ATOM 190 CB ILE A 12 1.178 -4.147 6.366 1.00 53.21 C ATOM 191 CG1 ILE A 12 -0.156 -4.259 5.603 1.00 3.42 C ATOM 192 CG2 ILE A 12 1.757 -2.738 6.239 1.00 45.23 C ATOM 193 CD1 ILE A 12 -1.224 -3.302 6.090 1.00 54.31 C ATOM 0 H ILE A 12 0.783 -6.607 6.556 1.00 3.24 H new ATOM 0 HA ILE A 12 2.311 -5.097 4.774 1.00 11.13 H new ATOM 0 HB ILE A 12 0.989 -4.339 7.422 1.00 53.21 H new ATOM 0 HG12 ILE A 12 0.026 -4.076 4.544 1.00 3.42 H new ATOM 0 HG13 ILE A 12 -0.529 -5.279 5.691 1.00 3.42 H new ATOM 0 HG21 ILE A 12 1.032 -2.012 6.606 1.00 45.23 H new ATOM 0 HG22 ILE A 12 2.672 -2.666 6.827 1.00 45.23 H new ATOM 0 HG23 ILE A 12 1.981 -2.530 5.193 1.00 45.23 H new ATOM 0 HD11 ILE A 12 -2.132 -3.442 5.504 1.00 54.31 H new ATOM 0 HD12 ILE A 12 -1.436 -3.498 7.141 1.00 54.31 H new ATOM 0 HD13 ILE A 12 -0.873 -2.276 5.976 1.00 54.31 H new ATOM 205 N HIS A 13 3.713 -5.463 7.755 1.00 64.21 N ATOM 206 CA HIS A 13 5.000 -5.356 8.465 1.00 15.15 C ATOM 207 C HIS A 13 6.132 -6.091 7.722 1.00 72.22 C ATOM 208 O HIS A 13 7.314 -5.853 7.980 1.00 75.33 O ATOM 209 CB HIS A 13 4.874 -5.894 9.901 1.00 2.43 C ATOM 210 CG HIS A 13 4.155 -4.964 10.836 1.00 54.42 C ATOM 211 ND1 HIS A 13 4.822 -3.957 11.492 1.00 53.14 N ATOM 212 CD2 HIS A 13 2.848 -4.928 11.195 1.00 73.30 C ATOM 213 CE1 HIS A 13 3.918 -3.334 12.225 1.00 11.04 C ATOM 214 NE2 HIS A 13 2.709 -3.886 12.079 1.00 71.43 N ATOM 0 H HIS A 13 2.976 -5.931 8.283 1.00 64.21 H new ATOM 0 HA HIS A 13 5.259 -4.298 8.501 1.00 15.15 H new ATOM 0 HB2 HIS A 13 4.348 -6.848 9.877 1.00 2.43 H new ATOM 0 HB3 HIS A 13 5.871 -6.090 10.294 1.00 2.43 H new ATOM 0 HD2 HIS A 13 2.067 -5.591 10.852 1.00 73.30 H new ATOM 0 HE1 HIS A 13 4.128 -2.487 12.861 1.00 11.04 H new ATOM 0 HE2 HIS A 13 1.847 -3.590 12.537 1.00 71.43 H new ATOM 222 N GLN A 14 5.768 -6.974 6.792 1.00 12.23 N ATOM 223 CA GLN A 14 6.751 -7.768 6.042 1.00 65.54 C ATOM 224 C GLN A 14 7.168 -7.099 4.716 1.00 14.23 C ATOM 225 O GLN A 14 8.060 -7.598 4.026 1.00 52.33 O ATOM 226 CB GLN A 14 6.192 -9.173 5.767 1.00 43.31 C ATOM 227 CG GLN A 14 5.977 -10.011 7.028 1.00 60.25 C ATOM 228 CD GLN A 14 5.418 -11.394 6.732 1.00 4.45 C ATOM 229 OE1 GLN A 14 4.108 -11.531 6.764 1.00 24.23 O flip ATOM 230 NE2 GLN A 14 6.162 -12.343 6.500 1.00 52.12 N flip ATOM 0 H GLN A 14 4.798 -7.160 6.537 1.00 12.23 H new ATOM 0 HA GLN A 14 7.645 -7.838 6.661 1.00 65.54 H new ATOM 0 HB2 GLN A 14 5.243 -9.079 5.239 1.00 43.31 H new ATOM 0 HB3 GLN A 14 6.876 -9.702 5.103 1.00 43.31 H new ATOM 0 HG2 GLN A 14 6.925 -10.113 7.556 1.00 60.25 H new ATOM 0 HG3 GLN A 14 5.295 -9.485 7.696 1.00 60.25 H new ATOM 0 HE21 GLN A 14 7.173 -12.206 6.482 1.00 52.12 H new ATOM 0 HE22 GLN A 14 5.769 -13.268 6.325 1.00 52.12 H new ATOM 239 N ILE A 15 6.535 -5.979 4.356 1.00 72.21 N ATOM 240 CA ILE A 15 6.882 -5.266 3.114 1.00 33.32 C ATOM 241 C ILE A 15 8.260 -4.576 3.239 1.00 2.41 C ATOM 242 O ILE A 15 8.413 -3.627 4.013 1.00 72.40 O ATOM 243 CB ILE A 15 5.824 -4.189 2.746 1.00 0.12 C ATOM 244 CG1 ILE A 15 4.391 -4.738 2.871 1.00 40.43 C ATOM 245 CG2 ILE A 15 6.064 -3.677 1.327 1.00 43.31 C ATOM 246 CD1 ILE A 15 4.075 -5.882 1.929 1.00 34.11 C ATOM 0 H ILE A 15 5.787 -5.546 4.897 1.00 72.21 H new ATOM 0 HA ILE A 15 6.911 -6.018 2.326 1.00 33.32 H new ATOM 0 HB ILE A 15 5.931 -3.365 3.451 1.00 0.12 H new ATOM 0 HG12 ILE A 15 4.231 -5.073 3.896 1.00 40.43 H new ATOM 0 HG13 ILE A 15 3.687 -3.927 2.687 1.00 40.43 H new ATOM 0 HG21 ILE A 15 5.316 -2.923 1.081 1.00 43.31 H new ATOM 0 HG22 ILE A 15 7.059 -3.236 1.263 1.00 43.31 H new ATOM 0 HG23 ILE A 15 5.988 -4.506 0.623 1.00 43.31 H new ATOM 0 HD11 ILE A 15 3.046 -6.207 2.084 1.00 34.11 H new ATOM 0 HD12 ILE A 15 4.199 -5.550 0.898 1.00 34.11 H new ATOM 0 HD13 ILE A 15 4.752 -6.713 2.126 1.00 34.11 H new ATOM 258 N PRO A 16 9.279 -5.038 2.476 1.00 51.43 N ATOM 259 CA PRO A 16 10.655 -4.497 2.556 1.00 41.11 C ATOM 260 C PRO A 16 10.734 -2.979 2.293 1.00 54.13 C ATOM 261 O PRO A 16 9.965 -2.431 1.500 1.00 51.02 O ATOM 262 CB PRO A 16 11.422 -5.281 1.472 1.00 52.31 C ATOM 263 CG PRO A 16 10.370 -5.875 0.598 1.00 2.12 C ATOM 264 CD PRO A 16 9.181 -6.120 1.483 1.00 44.45 C ATOM 0 HA PRO A 16 11.066 -4.616 3.558 1.00 41.11 H new ATOM 0 HB2 PRO A 16 12.081 -4.624 0.904 1.00 52.31 H new ATOM 0 HB3 PRO A 16 12.048 -6.055 1.915 1.00 52.31 H new ATOM 0 HG2 PRO A 16 10.115 -5.200 -0.219 1.00 2.12 H new ATOM 0 HG3 PRO A 16 10.718 -6.804 0.147 1.00 2.12 H new ATOM 0 HD2 PRO A 16 8.246 -6.072 0.925 1.00 44.45 H new ATOM 0 HD3 PRO A 16 9.223 -7.103 1.952 1.00 44.45 H new ATOM 272 N LYS A 17 11.678 -2.309 2.958 1.00 1.11 N ATOM 273 CA LYS A 17 11.809 -0.846 2.888 1.00 50.14 C ATOM 274 C LYS A 17 12.087 -0.366 1.448 1.00 74.32 C ATOM 275 O LYS A 17 13.230 -0.361 0.993 1.00 42.34 O ATOM 276 CB LYS A 17 12.932 -0.379 3.836 1.00 44.13 C ATOM 277 CG LYS A 17 12.654 0.947 4.550 1.00 40.23 C ATOM 278 CD LYS A 17 11.487 0.827 5.533 1.00 55.55 C ATOM 279 CE LYS A 17 11.376 2.044 6.450 1.00 74.41 C ATOM 280 NZ LYS A 17 11.113 3.299 5.704 1.00 25.20 N ATOM 0 H LYS A 17 12.370 -2.759 3.557 1.00 1.11 H new ATOM 0 HA LYS A 17 10.862 -0.406 3.201 1.00 50.14 H new ATOM 0 HB2 LYS A 17 13.101 -1.152 4.586 1.00 44.13 H new ATOM 0 HB3 LYS A 17 13.855 -0.282 3.264 1.00 44.13 H new ATOM 0 HG2 LYS A 17 13.548 1.267 5.084 1.00 40.23 H new ATOM 0 HG3 LYS A 17 12.431 1.718 3.812 1.00 40.23 H new ATOM 0 HD2 LYS A 17 10.557 0.707 4.977 1.00 55.55 H new ATOM 0 HD3 LYS A 17 11.615 -0.071 6.138 1.00 55.55 H new ATOM 0 HE2 LYS A 17 10.575 1.879 7.170 1.00 74.41 H new ATOM 0 HE3 LYS A 17 12.299 2.151 7.019 1.00 74.41 H new ATOM 0 HZ1 LYS A 17 11.642 4.080 6.142 1.00 25.20 H new ATOM 0 HZ2 LYS A 17 11.417 3.186 4.716 1.00 25.20 H new ATOM 0 HZ3 LYS A 17 10.095 3.512 5.731 1.00 25.20 H new ATOM 294 N GLY A 18 11.028 0.021 0.734 1.00 13.10 N ATOM 295 CA GLY A 18 11.176 0.488 -0.645 1.00 34.12 C ATOM 296 C GLY A 18 10.171 -0.144 -1.611 1.00 22.45 C ATOM 297 O GLY A 18 9.748 0.488 -2.578 1.00 4.54 O ATOM 0 H GLY A 18 10.070 0.021 1.083 1.00 13.10 H new ATOM 0 HA2 GLY A 18 11.060 1.572 -0.668 1.00 34.12 H new ATOM 0 HA3 GLY A 18 12.187 0.269 -0.989 1.00 34.12 H new ATOM 301 N LYS A 19 9.787 -1.393 -1.354 1.00 64.32 N ATOM 302 CA LYS A 19 8.837 -2.106 -2.224 1.00 44.42 C ATOM 303 C LYS A 19 7.375 -1.768 -1.884 1.00 45.30 C ATOM 304 O LYS A 19 7.047 -1.424 -0.745 1.00 61.23 O ATOM 305 CB LYS A 19 9.057 -3.623 -2.122 1.00 42.30 C ATOM 306 CG LYS A 19 10.422 -4.087 -2.623 1.00 75.33 C ATOM 307 CD LYS A 19 10.630 -3.747 -4.099 1.00 24.03 C ATOM 308 CE LYS A 19 11.973 -4.250 -4.618 1.00 51.24 C ATOM 309 NZ LYS A 19 13.114 -3.655 -3.876 1.00 53.45 N ATOM 0 H LYS A 19 10.114 -1.936 -0.555 1.00 64.32 H new ATOM 0 HA LYS A 19 9.025 -1.776 -3.246 1.00 44.42 H new ATOM 0 HB2 LYS A 19 8.940 -3.928 -1.082 1.00 42.30 H new ATOM 0 HB3 LYS A 19 8.280 -4.132 -2.692 1.00 42.30 H new ATOM 0 HG2 LYS A 19 11.206 -3.619 -2.028 1.00 75.33 H new ATOM 0 HG3 LYS A 19 10.515 -5.164 -2.481 1.00 75.33 H new ATOM 0 HD2 LYS A 19 9.826 -4.187 -4.689 1.00 24.03 H new ATOM 0 HD3 LYS A 19 10.571 -2.667 -4.234 1.00 24.03 H new ATOM 0 HE2 LYS A 19 12.011 -5.336 -4.532 1.00 51.24 H new ATOM 0 HE3 LYS A 19 12.065 -4.011 -5.677 1.00 51.24 H new ATOM 0 HZ1 LYS A 19 14.003 -3.887 -4.363 1.00 53.45 H new ATOM 0 HZ2 LYS A 19 13.001 -2.622 -3.835 1.00 53.45 H new ATOM 0 HZ3 LYS A 19 13.138 -4.039 -2.910 1.00 53.45 H new ATOM 323 N VAL A 20 6.495 -1.890 -2.879 1.00 55.44 N ATOM 324 CA VAL A 20 5.062 -1.614 -2.698 1.00 60.22 C ATOM 325 C VAL A 20 4.224 -2.904 -2.768 1.00 61.55 C ATOM 326 O VAL A 20 4.749 -3.991 -3.016 1.00 53.34 O ATOM 327 CB VAL A 20 4.534 -0.617 -3.765 1.00 22.14 C ATOM 328 CG1 VAL A 20 5.266 0.718 -3.671 1.00 70.00 C ATOM 329 CG2 VAL A 20 4.658 -1.203 -5.171 1.00 61.12 C ATOM 0 H VAL A 20 6.747 -2.179 -3.824 1.00 55.44 H new ATOM 0 HA VAL A 20 4.958 -1.170 -1.708 1.00 60.22 H new ATOM 0 HB VAL A 20 3.477 -0.441 -3.564 1.00 22.14 H new ATOM 0 HG11 VAL A 20 4.879 1.399 -4.428 1.00 70.00 H new ATOM 0 HG12 VAL A 20 5.111 1.149 -2.682 1.00 70.00 H new ATOM 0 HG13 VAL A 20 6.332 0.561 -3.836 1.00 70.00 H new ATOM 0 HG21 VAL A 20 4.281 -0.485 -5.899 1.00 61.12 H new ATOM 0 HG22 VAL A 20 5.705 -1.420 -5.384 1.00 61.12 H new ATOM 0 HG23 VAL A 20 4.076 -2.123 -5.234 1.00 61.12 H new ATOM 339 N SER A 21 2.917 -2.770 -2.553 1.00 12.25 N ATOM 340 CA SER A 21 1.992 -3.913 -2.617 1.00 62.45 C ATOM 341 C SER A 21 0.572 -3.450 -2.966 1.00 41.10 C ATOM 342 O SER A 21 0.257 -2.264 -2.875 1.00 52.13 O ATOM 343 CB SER A 21 1.981 -4.667 -1.279 1.00 55.01 C ATOM 344 OG SER A 21 1.527 -3.838 -0.220 1.00 41.01 O ATOM 0 H SER A 21 2.468 -1.881 -2.332 1.00 12.25 H new ATOM 0 HA SER A 21 2.340 -4.584 -3.402 1.00 62.45 H new ATOM 0 HB2 SER A 21 1.337 -5.543 -1.359 1.00 55.01 H new ATOM 0 HB3 SER A 21 2.985 -5.028 -1.055 1.00 55.01 H new ATOM 0 HG SER A 21 1.700 -2.899 -0.442 1.00 41.01 H new ATOM 350 N THR A 22 -0.283 -4.388 -3.375 1.00 65.12 N ATOM 351 CA THR A 22 -1.675 -4.075 -3.735 1.00 62.51 C ATOM 352 C THR A 22 -2.676 -4.808 -2.830 1.00 44.21 C ATOM 353 O THR A 22 -2.365 -5.853 -2.253 1.00 41.54 O ATOM 354 CB THR A 22 -1.984 -4.439 -5.209 1.00 11.51 C ATOM 355 OG1 THR A 22 -1.763 -5.839 -5.425 1.00 14.13 O ATOM 356 CG2 THR A 22 -1.120 -3.628 -6.171 1.00 61.35 C ATOM 0 H THR A 22 -0.039 -5.374 -3.467 1.00 65.12 H new ATOM 0 HA THR A 22 -1.785 -2.999 -3.598 1.00 62.51 H new ATOM 0 HB THR A 22 -3.030 -4.200 -5.403 1.00 11.51 H new ATOM 0 HG1 THR A 22 -1.962 -6.061 -6.358 1.00 14.13 H new ATOM 0 HG21 THR A 22 -1.360 -3.906 -7.197 1.00 61.35 H new ATOM 0 HG22 THR A 22 -1.315 -2.565 -6.028 1.00 61.35 H new ATOM 0 HG23 THR A 22 -0.067 -3.833 -5.976 1.00 61.35 H new ATOM 364 N TYR A 23 -3.884 -4.248 -2.724 1.00 61.44 N ATOM 365 CA TYR A 23 -4.939 -4.793 -1.852 1.00 1.14 C ATOM 366 C TYR A 23 -5.206 -6.290 -2.109 1.00 31.11 C ATOM 367 O TYR A 23 -5.270 -7.090 -1.173 1.00 3.30 O ATOM 368 CB TYR A 23 -6.244 -3.997 -2.040 1.00 4.10 C ATOM 369 CG TYR A 23 -6.097 -2.503 -1.795 1.00 2.21 C ATOM 370 CD1 TYR A 23 -5.691 -2.020 -0.556 1.00 70.41 C ATOM 371 CD2 TYR A 23 -6.351 -1.578 -2.804 1.00 42.10 C ATOM 372 CE1 TYR A 23 -5.544 -0.665 -0.331 1.00 13.32 C ATOM 373 CE2 TYR A 23 -6.203 -0.222 -2.585 1.00 71.52 C ATOM 374 CZ TYR A 23 -5.800 0.229 -1.347 1.00 32.33 C ATOM 375 OH TYR A 23 -5.646 1.581 -1.125 1.00 15.33 O ATOM 0 H TYR A 23 -4.161 -3.410 -3.235 1.00 61.44 H new ATOM 0 HA TYR A 23 -4.584 -4.695 -0.826 1.00 1.14 H new ATOM 0 HB2 TYR A 23 -6.611 -4.154 -3.054 1.00 4.10 H new ATOM 0 HB3 TYR A 23 -7.000 -4.393 -1.363 1.00 4.10 H new ATOM 0 HD1 TYR A 23 -5.487 -2.716 0.244 1.00 70.41 H new ATOM 0 HD2 TYR A 23 -6.669 -1.927 -3.775 1.00 42.10 H new ATOM 0 HE1 TYR A 23 -5.229 -0.308 0.638 1.00 13.32 H new ATOM 0 HE2 TYR A 23 -6.402 0.481 -3.380 1.00 71.52 H new ATOM 0 HH TYR A 23 -5.099 1.969 -1.839 1.00 15.33 H new ATOM 385 N GLY A 24 -5.353 -6.660 -3.381 1.00 31.21 N ATOM 386 CA GLY A 24 -5.680 -8.039 -3.737 1.00 35.54 C ATOM 387 C GLY A 24 -4.610 -9.051 -3.328 1.00 2.23 C ATOM 388 O GLY A 24 -4.927 -10.165 -2.902 1.00 0.23 O ATOM 0 H GLY A 24 -5.252 -6.029 -4.176 1.00 31.21 H new ATOM 0 HA2 GLY A 24 -6.624 -8.312 -3.266 1.00 35.54 H new ATOM 0 HA3 GLY A 24 -5.832 -8.100 -4.815 1.00 35.54 H new ATOM 392 N GLU A 25 -3.340 -8.671 -3.462 1.00 33.21 N ATOM 393 CA GLU A 25 -2.228 -9.566 -3.115 1.00 63.41 C ATOM 394 C GLU A 25 -2.098 -9.731 -1.594 1.00 31.03 C ATOM 395 O GLU A 25 -1.911 -10.844 -1.095 1.00 70.32 O ATOM 396 CB GLU A 25 -0.911 -9.051 -3.711 1.00 63.23 C ATOM 397 CG GLU A 25 -0.970 -8.803 -5.217 1.00 54.12 C ATOM 398 CD GLU A 25 -1.538 -9.976 -6.003 1.00 64.22 C ATOM 399 OE1 GLU A 25 -0.771 -10.893 -6.360 1.00 12.41 O ATOM 400 OE2 GLU A 25 -2.761 -9.983 -6.273 1.00 2.22 O ATOM 0 H GLU A 25 -3.053 -7.755 -3.806 1.00 33.21 H new ATOM 0 HA GLU A 25 -2.445 -10.545 -3.543 1.00 63.41 H new ATOM 0 HB2 GLU A 25 -0.635 -8.123 -3.210 1.00 63.23 H new ATOM 0 HB3 GLU A 25 -0.122 -9.773 -3.502 1.00 63.23 H new ATOM 0 HG2 GLU A 25 -1.578 -7.919 -5.408 1.00 54.12 H new ATOM 0 HG3 GLU A 25 0.034 -8.584 -5.581 1.00 54.12 H new ATOM 407 N ILE A 26 -2.206 -8.620 -0.861 1.00 54.05 N ATOM 408 CA ILE A 26 -2.195 -8.662 0.607 1.00 42.42 C ATOM 409 C ILE A 26 -3.337 -9.548 1.125 1.00 42.14 C ATOM 410 O ILE A 26 -3.146 -10.374 2.019 1.00 65.04 O ATOM 411 CB ILE A 26 -2.328 -7.241 1.218 1.00 50.24 C ATOM 412 CG1 ILE A 26 -1.167 -6.343 0.757 1.00 71.42 C ATOM 413 CG2 ILE A 26 -2.390 -7.304 2.747 1.00 2.22 C ATOM 414 CD1 ILE A 26 0.202 -6.845 1.173 1.00 31.22 C ATOM 0 H ILE A 26 -2.302 -7.684 -1.255 1.00 54.05 H new ATOM 0 HA ILE A 26 -1.237 -9.082 0.914 1.00 42.42 H new ATOM 0 HB ILE A 26 -3.262 -6.806 0.862 1.00 50.24 H new ATOM 0 HG12 ILE A 26 -1.197 -6.257 -0.329 1.00 71.42 H new ATOM 0 HG13 ILE A 26 -1.314 -5.341 1.160 1.00 71.42 H new ATOM 0 HG21 ILE A 26 -2.483 -6.295 3.149 1.00 2.22 H new ATOM 0 HG22 ILE A 26 -3.252 -7.897 3.052 1.00 2.22 H new ATOM 0 HG23 ILE A 26 -1.479 -7.764 3.129 1.00 2.22 H new ATOM 0 HD11 ILE A 26 0.967 -6.158 0.811 1.00 31.22 H new ATOM 0 HD12 ILE A 26 0.253 -6.904 2.260 1.00 31.22 H new ATOM 0 HD13 ILE A 26 0.372 -7.834 0.748 1.00 31.22 H new ATOM 426 N ALA A 27 -4.518 -9.378 0.533 1.00 65.10 N ATOM 427 CA ALA A 27 -5.692 -10.188 0.875 1.00 42.40 C ATOM 428 C ALA A 27 -5.410 -11.697 0.742 1.00 15.30 C ATOM 429 O ALA A 27 -5.805 -12.491 1.599 1.00 52.34 O ATOM 430 CB ALA A 27 -6.869 -9.786 -0.007 1.00 25.51 C ATOM 0 H ALA A 27 -4.690 -8.681 -0.192 1.00 65.10 H new ATOM 0 HA ALA A 27 -5.938 -9.998 1.920 1.00 42.40 H new ATOM 0 HB1 ALA A 27 -7.739 -10.390 0.250 1.00 25.51 H new ATOM 0 HB2 ALA A 27 -7.099 -8.732 0.151 1.00 25.51 H new ATOM 0 HB3 ALA A 27 -6.611 -9.948 -1.054 1.00 25.51 H new ATOM 436 N LYS A 28 -4.722 -12.085 -0.337 1.00 33.12 N ATOM 437 CA LYS A 28 -4.338 -13.493 -0.557 1.00 15.34 C ATOM 438 C LYS A 28 -3.482 -14.036 0.601 1.00 43.40 C ATOM 439 O LYS A 28 -3.797 -15.071 1.193 1.00 74.31 O ATOM 440 CB LYS A 28 -3.551 -13.646 -1.867 1.00 13.23 C ATOM 441 CG LYS A 28 -4.344 -13.311 -3.124 1.00 71.22 C ATOM 442 CD LYS A 28 -3.506 -13.532 -4.382 1.00 31.55 C ATOM 443 CE LYS A 28 -4.288 -13.220 -5.649 1.00 65.42 C ATOM 444 NZ LYS A 28 -4.702 -11.792 -5.717 1.00 3.31 N ATOM 0 H LYS A 28 -4.418 -11.449 -1.074 1.00 33.12 H new ATOM 0 HA LYS A 28 -5.263 -14.067 -0.613 1.00 15.34 H new ATOM 0 HB2 LYS A 28 -2.672 -13.003 -1.825 1.00 13.23 H new ATOM 0 HB3 LYS A 28 -3.192 -14.672 -1.942 1.00 13.23 H new ATOM 0 HG2 LYS A 28 -5.240 -13.930 -3.167 1.00 71.22 H new ATOM 0 HG3 LYS A 28 -4.675 -12.273 -3.082 1.00 71.22 H new ATOM 0 HD2 LYS A 28 -2.617 -12.903 -4.341 1.00 31.55 H new ATOM 0 HD3 LYS A 28 -3.164 -14.566 -4.413 1.00 31.55 H new ATOM 0 HE2 LYS A 28 -3.678 -13.461 -6.519 1.00 65.42 H new ATOM 0 HE3 LYS A 28 -5.172 -13.855 -5.694 1.00 65.42 H new ATOM 0 HZ1 LYS A 28 -5.095 -11.589 -6.658 1.00 3.31 H new ATOM 0 HZ2 LYS A 28 -5.424 -11.605 -4.992 1.00 3.31 H new ATOM 0 HZ3 LYS A 28 -3.876 -11.183 -5.548 1.00 3.31 H new ATOM 458 N MET A 29 -2.397 -13.332 0.912 1.00 55.22 N ATOM 459 CA MET A 29 -1.462 -13.763 1.961 1.00 43.23 C ATOM 460 C MET A 29 -2.067 -13.630 3.370 1.00 61.35 C ATOM 461 O MET A 29 -1.553 -14.202 4.334 1.00 41.54 O ATOM 462 CB MET A 29 -0.162 -12.959 1.854 1.00 25.43 C ATOM 463 CG MET A 29 0.618 -13.246 0.577 1.00 62.40 C ATOM 464 SD MET A 29 1.994 -12.106 0.325 1.00 61.24 S ATOM 465 CE MET A 29 1.113 -10.577 0.024 1.00 33.11 C ATOM 0 H MET A 29 -2.138 -12.458 0.454 1.00 55.22 H new ATOM 0 HA MET A 29 -1.250 -14.821 1.807 1.00 43.23 H new ATOM 0 HB2 MET A 29 -0.396 -11.895 1.898 1.00 25.43 H new ATOM 0 HB3 MET A 29 0.468 -13.183 2.715 1.00 25.43 H new ATOM 0 HG2 MET A 29 1.000 -14.266 0.612 1.00 62.40 H new ATOM 0 HG3 MET A 29 -0.057 -13.187 -0.277 1.00 62.40 H new ATOM 0 HE1 MET A 29 1.369 -10.198 -0.965 1.00 33.11 H new ATOM 0 HE2 MET A 29 0.040 -10.759 0.076 1.00 33.11 H new ATOM 0 HE3 MET A 29 1.393 -9.841 0.778 1.00 33.11 H new ATOM 475 N ALA A 30 -3.149 -12.867 3.487 1.00 34.30 N ATOM 476 CA ALA A 30 -3.874 -12.739 4.756 1.00 24.20 C ATOM 477 C ALA A 30 -4.941 -13.836 4.923 1.00 64.13 C ATOM 478 O ALA A 30 -5.333 -14.171 6.045 1.00 21.24 O ATOM 479 CB ALA A 30 -4.516 -11.360 4.851 1.00 13.03 C ATOM 0 H ALA A 30 -3.547 -12.325 2.720 1.00 34.30 H new ATOM 0 HA ALA A 30 -3.152 -12.861 5.564 1.00 24.20 H new ATOM 0 HB1 ALA A 30 -5.052 -11.273 5.796 1.00 13.03 H new ATOM 0 HB2 ALA A 30 -3.742 -10.594 4.801 1.00 13.03 H new ATOM 0 HB3 ALA A 30 -5.213 -11.226 4.024 1.00 13.03 H new ATOM 485 N GLY A 31 -5.403 -14.396 3.804 1.00 63.13 N ATOM 486 CA GLY A 31 -6.464 -15.402 3.844 1.00 11.03 C ATOM 487 C GLY A 31 -7.860 -14.798 3.712 1.00 62.51 C ATOM 488 O GLY A 31 -8.854 -15.393 4.142 1.00 33.14 O ATOM 0 H GLY A 31 -5.063 -14.173 2.868 1.00 63.13 H new ATOM 0 HA2 GLY A 31 -6.307 -16.121 3.040 1.00 11.03 H new ATOM 0 HA3 GLY A 31 -6.399 -15.954 4.782 1.00 11.03 H new ATOM 492 N TYR A 32 -7.938 -13.609 3.114 1.00 33.22 N ATOM 493 CA TYR A 32 -9.212 -12.897 2.922 1.00 21.21 C ATOM 494 C TYR A 32 -9.285 -12.261 1.517 1.00 71.41 C ATOM 495 O TYR A 32 -9.390 -11.039 1.389 1.00 32.43 O ATOM 496 CB TYR A 32 -9.368 -11.799 3.992 1.00 42.11 C ATOM 497 CG TYR A 32 -9.330 -12.300 5.425 1.00 43.24 C ATOM 498 CD1 TYR A 32 -10.480 -12.769 6.054 1.00 13.32 C ATOM 499 CD2 TYR A 32 -8.143 -12.297 6.155 1.00 40.22 C ATOM 500 CE1 TYR A 32 -10.446 -13.219 7.360 1.00 25.15 C ATOM 501 CE2 TYR A 32 -8.104 -12.746 7.460 1.00 41.41 C ATOM 502 CZ TYR A 32 -9.257 -13.205 8.058 1.00 52.35 C ATOM 503 OH TYR A 32 -9.220 -13.652 9.360 1.00 3.24 O ATOM 0 H TYR A 32 -7.127 -13.110 2.749 1.00 33.22 H new ATOM 0 HA TYR A 32 -10.022 -13.620 3.018 1.00 21.21 H new ATOM 0 HB2 TYR A 32 -8.575 -11.064 3.857 1.00 42.11 H new ATOM 0 HB3 TYR A 32 -10.313 -11.282 3.827 1.00 42.11 H new ATOM 0 HD1 TYR A 32 -11.414 -12.781 5.512 1.00 13.32 H new ATOM 0 HD2 TYR A 32 -7.237 -11.937 5.691 1.00 40.22 H new ATOM 0 HE1 TYR A 32 -11.347 -13.580 7.832 1.00 25.15 H new ATOM 0 HE2 TYR A 32 -7.174 -12.737 8.009 1.00 41.41 H new ATOM 0 HH TYR A 32 -8.306 -13.576 9.706 1.00 3.24 H new ATOM 513 N PRO A 33 -9.265 -13.080 0.442 1.00 4.04 N ATOM 514 CA PRO A 33 -9.164 -12.579 -0.949 1.00 41.34 C ATOM 515 C PRO A 33 -10.271 -11.576 -1.331 1.00 11.24 C ATOM 516 O PRO A 33 -10.006 -10.567 -1.991 1.00 23.10 O ATOM 517 CB PRO A 33 -9.262 -13.859 -1.803 1.00 44.03 C ATOM 518 CG PRO A 33 -9.858 -14.886 -0.898 1.00 42.12 C ATOM 519 CD PRO A 33 -9.366 -14.549 0.482 1.00 54.34 C ATOM 0 HA PRO A 33 -8.242 -12.017 -1.098 1.00 41.34 H new ATOM 0 HB2 PRO A 33 -9.886 -13.699 -2.683 1.00 44.03 H new ATOM 0 HB3 PRO A 33 -8.281 -14.171 -2.160 1.00 44.03 H new ATOM 0 HG2 PRO A 33 -10.947 -14.862 -0.942 1.00 42.12 H new ATOM 0 HG3 PRO A 33 -9.550 -15.890 -1.189 1.00 42.12 H new ATOM 0 HD2 PRO A 33 -10.060 -14.886 1.252 1.00 54.34 H new ATOM 0 HD3 PRO A 33 -8.404 -15.015 0.694 1.00 54.34 H new ATOM 527 N GLY A 34 -11.503 -11.847 -0.906 1.00 2.35 N ATOM 528 CA GLY A 34 -12.625 -10.975 -1.245 1.00 4.12 C ATOM 529 C GLY A 34 -12.673 -9.686 -0.426 1.00 75.13 C ATOM 530 O GLY A 34 -13.442 -8.777 -0.737 1.00 40.31 O ATOM 0 H GLY A 34 -11.748 -12.654 -0.333 1.00 2.35 H new ATOM 0 HA2 GLY A 34 -12.568 -10.720 -2.303 1.00 4.12 H new ATOM 0 HA3 GLY A 34 -13.556 -11.523 -1.098 1.00 4.12 H new ATOM 534 N TYR A 35 -11.843 -9.596 0.610 1.00 5.44 N ATOM 535 CA TYR A 35 -11.817 -8.418 1.486 1.00 24.10 C ATOM 536 C TYR A 35 -10.756 -7.397 1.041 1.00 41.51 C ATOM 537 O TYR A 35 -10.429 -6.471 1.784 1.00 31.14 O ATOM 538 CB TYR A 35 -11.545 -8.844 2.934 1.00 25.12 C ATOM 539 CG TYR A 35 -12.596 -9.767 3.529 1.00 45.10 C ATOM 540 CD1 TYR A 35 -12.690 -11.097 3.130 1.00 11.24 C ATOM 541 CD2 TYR A 35 -13.483 -9.314 4.502 1.00 5.31 C ATOM 542 CE1 TYR A 35 -13.632 -11.943 3.680 1.00 23.35 C ATOM 543 CE2 TYR A 35 -14.430 -10.156 5.056 1.00 55.35 C ATOM 544 CZ TYR A 35 -14.499 -11.470 4.640 1.00 71.54 C ATOM 545 OH TYR A 35 -15.433 -12.320 5.194 1.00 60.02 O ATOM 0 H TYR A 35 -11.177 -10.324 0.867 1.00 5.44 H new ATOM 0 HA TYR A 35 -12.794 -7.939 1.419 1.00 24.10 H new ATOM 0 HB2 TYR A 35 -10.576 -9.342 2.977 1.00 25.12 H new ATOM 0 HB3 TYR A 35 -11.472 -7.951 3.554 1.00 25.12 H new ATOM 0 HD1 TYR A 35 -12.014 -11.474 2.377 1.00 11.24 H new ATOM 0 HD2 TYR A 35 -13.431 -8.286 4.830 1.00 5.31 H new ATOM 0 HE1 TYR A 35 -13.689 -12.972 3.359 1.00 23.35 H new ATOM 0 HE2 TYR A 35 -15.111 -9.788 5.809 1.00 55.35 H new ATOM 0 HH TYR A 35 -15.967 -11.833 5.856 1.00 60.02 H new ATOM 555 N ALA A 36 -10.240 -7.556 -0.180 1.00 13.12 N ATOM 556 CA ALA A 36 -9.192 -6.671 -0.714 1.00 50.44 C ATOM 557 C ALA A 36 -9.531 -5.180 -0.527 1.00 20.32 C ATOM 558 O ALA A 36 -8.731 -4.412 0.012 1.00 34.13 O ATOM 559 CB ALA A 36 -8.957 -6.976 -2.188 1.00 63.11 C ATOM 0 H ALA A 36 -10.530 -8.292 -0.823 1.00 13.12 H new ATOM 0 HA ALA A 36 -8.281 -6.866 -0.148 1.00 50.44 H new ATOM 0 HB1 ALA A 36 -8.180 -6.317 -2.577 1.00 63.11 H new ATOM 0 HB2 ALA A 36 -8.642 -8.014 -2.299 1.00 63.11 H new ATOM 0 HB3 ALA A 36 -9.880 -6.816 -2.744 1.00 63.11 H new ATOM 565 N ARG A 37 -10.726 -4.777 -0.963 1.00 34.14 N ATOM 566 CA ARG A 37 -11.175 -3.384 -0.809 1.00 74.34 C ATOM 567 C ARG A 37 -11.254 -2.972 0.676 1.00 13.22 C ATOM 568 O ARG A 37 -11.055 -1.807 1.023 1.00 41.32 O ATOM 569 CB ARG A 37 -12.542 -3.182 -1.482 1.00 3.11 C ATOM 570 CG ARG A 37 -13.668 -4.021 -0.880 1.00 73.41 C ATOM 571 CD ARG A 37 -15.019 -3.700 -1.515 1.00 63.41 C ATOM 572 NE ARG A 37 -15.381 -2.292 -1.344 1.00 4.23 N ATOM 573 CZ ARG A 37 -16.588 -1.814 -1.493 1.00 63.24 C ATOM 574 NH1 ARG A 37 -17.572 -2.585 -1.830 1.00 24.43 N ATOM 575 NH2 ARG A 37 -16.802 -0.553 -1.313 1.00 0.41 N ATOM 0 H ARG A 37 -11.400 -5.388 -1.424 1.00 34.14 H new ATOM 0 HA ARG A 37 -10.437 -2.747 -1.297 1.00 74.34 H new ATOM 0 HB2 ARG A 37 -12.814 -2.129 -1.416 1.00 3.11 H new ATOM 0 HB3 ARG A 37 -12.452 -3.422 -2.541 1.00 3.11 H new ATOM 0 HG2 ARG A 37 -13.445 -5.079 -1.016 1.00 73.41 H new ATOM 0 HG3 ARG A 37 -13.720 -3.842 0.194 1.00 73.41 H new ATOM 0 HD2 ARG A 37 -14.987 -3.940 -2.578 1.00 63.41 H new ATOM 0 HD3 ARG A 37 -15.789 -4.330 -1.069 1.00 63.41 H new ATOM 0 HE ARG A 37 -14.640 -1.639 -1.091 1.00 4.23 H new ATOM 0 HH11 ARG A 37 -17.411 -3.580 -1.983 1.00 24.43 H new ATOM 0 HH12 ARG A 37 -18.509 -2.197 -1.942 1.00 24.43 H new ATOM 0 HH21 ARG A 37 -16.031 0.064 -1.056 1.00 0.41 H new ATOM 0 HH22 ARG A 37 -17.742 -0.174 -1.428 1.00 0.41 H new ATOM 589 N HIS A 38 -11.528 -3.942 1.548 1.00 14.11 N ATOM 590 CA HIS A 38 -11.665 -3.680 2.984 1.00 1.10 C ATOM 591 C HIS A 38 -10.303 -3.491 3.659 1.00 3.13 C ATOM 592 O HIS A 38 -10.199 -2.796 4.670 1.00 43.44 O ATOM 593 CB HIS A 38 -12.451 -4.807 3.663 1.00 74.14 C ATOM 594 CG HIS A 38 -13.855 -4.914 3.168 1.00 43.34 C ATOM 595 ND1 HIS A 38 -14.669 -3.812 3.102 1.00 41.43 N ATOM 596 CD2 HIS A 38 -14.534 -5.994 2.716 1.00 35.24 C ATOM 597 CE1 HIS A 38 -15.816 -4.240 2.614 1.00 61.13 C ATOM 598 NE2 HIS A 38 -15.786 -5.555 2.365 1.00 31.31 N ATOM 0 H HIS A 38 -11.660 -4.919 1.286 1.00 14.11 H new ATOM 0 HA HIS A 38 -12.219 -2.748 3.097 1.00 1.10 H new ATOM 0 HB2 HIS A 38 -11.938 -5.754 3.494 1.00 74.14 H new ATOM 0 HB3 HIS A 38 -12.462 -4.638 4.740 1.00 74.14 H new ATOM 0 HD2 HIS A 38 -14.162 -7.006 2.645 1.00 35.24 H new ATOM 0 HE1 HIS A 38 -16.674 -3.608 2.437 1.00 61.13 H new ATOM 0 HE2 HIS A 38 -16.546 -6.121 1.988 1.00 31.31 H new ATOM 606 N VAL A 39 -9.261 -4.102 3.102 1.00 14.11 N ATOM 607 CA VAL A 39 -7.895 -3.847 3.565 1.00 12.55 C ATOM 608 C VAL A 39 -7.577 -2.346 3.454 1.00 52.24 C ATOM 609 O VAL A 39 -7.049 -1.732 4.384 1.00 12.11 O ATOM 610 CB VAL A 39 -6.854 -4.654 2.746 1.00 4.14 C ATOM 611 CG1 VAL A 39 -5.431 -4.388 3.241 1.00 42.20 C ATOM 612 CG2 VAL A 39 -7.171 -6.148 2.789 1.00 11.03 C ATOM 0 H VAL A 39 -9.332 -4.772 2.336 1.00 14.11 H new ATOM 0 HA VAL A 39 -7.833 -4.166 4.605 1.00 12.55 H new ATOM 0 HB VAL A 39 -6.915 -4.320 1.710 1.00 4.14 H new ATOM 0 HG11 VAL A 39 -4.725 -4.968 2.647 1.00 42.20 H new ATOM 0 HG12 VAL A 39 -5.203 -3.327 3.141 1.00 42.20 H new ATOM 0 HG13 VAL A 39 -5.350 -4.679 4.288 1.00 42.20 H new ATOM 0 HG21 VAL A 39 -6.428 -6.694 2.208 1.00 11.03 H new ATOM 0 HG22 VAL A 39 -7.150 -6.495 3.822 1.00 11.03 H new ATOM 0 HG23 VAL A 39 -8.161 -6.322 2.368 1.00 11.03 H new ATOM 622 N GLY A 40 -7.933 -1.762 2.311 1.00 63.01 N ATOM 623 CA GLY A 40 -7.778 -0.325 2.116 1.00 51.01 C ATOM 624 C GLY A 40 -8.674 0.498 3.033 1.00 64.34 C ATOM 625 O GLY A 40 -8.246 1.512 3.587 1.00 64.24 O ATOM 0 H GLY A 40 -8.328 -2.259 1.512 1.00 63.01 H new ATOM 0 HA2 GLY A 40 -6.738 -0.050 2.290 1.00 51.01 H new ATOM 0 HA3 GLY A 40 -8.003 -0.078 1.079 1.00 51.01 H new ATOM 629 N LYS A 41 -9.926 0.062 3.201 1.00 63.30 N ATOM 630 CA LYS A 41 -10.862 0.746 4.105 1.00 53.20 C ATOM 631 C LYS A 41 -10.313 0.772 5.542 1.00 31.01 C ATOM 632 O LYS A 41 -10.491 1.749 6.270 1.00 61.10 O ATOM 633 CB LYS A 41 -12.250 0.076 4.069 1.00 2.21 C ATOM 634 CG LYS A 41 -13.335 0.880 4.789 1.00 30.41 C ATOM 635 CD LYS A 41 -14.745 0.313 4.577 1.00 43.51 C ATOM 636 CE LYS A 41 -15.050 -0.896 5.466 1.00 63.41 C ATOM 637 NZ LYS A 41 -14.279 -2.107 5.083 1.00 52.41 N ATOM 0 H LYS A 41 -10.315 -0.754 2.728 1.00 63.30 H new ATOM 0 HA LYS A 41 -10.971 1.774 3.761 1.00 53.20 H new ATOM 0 HB2 LYS A 41 -12.547 -0.071 3.031 1.00 2.21 H new ATOM 0 HB3 LYS A 41 -12.179 -0.912 4.523 1.00 2.21 H new ATOM 0 HG2 LYS A 41 -13.115 0.901 5.856 1.00 30.41 H new ATOM 0 HG3 LYS A 41 -13.308 1.911 4.438 1.00 30.41 H new ATOM 0 HD2 LYS A 41 -15.478 1.095 4.775 1.00 43.51 H new ATOM 0 HD3 LYS A 41 -14.860 0.026 3.532 1.00 43.51 H new ATOM 0 HE2 LYS A 41 -14.828 -0.643 6.503 1.00 63.41 H new ATOM 0 HE3 LYS A 41 -16.116 -1.119 5.414 1.00 63.41 H new ATOM 0 HZ1 LYS A 41 -14.645 -2.930 5.602 1.00 52.41 H new ATOM 0 HZ2 LYS A 41 -14.376 -2.271 4.061 1.00 52.41 H new ATOM 0 HZ3 LYS A 41 -13.275 -1.968 5.318 1.00 52.41 H new ATOM 651 N ALA A 42 -9.631 -0.305 5.935 1.00 4.21 N ATOM 652 CA ALA A 42 -8.980 -0.378 7.248 1.00 13.04 C ATOM 653 C ALA A 42 -7.806 0.610 7.344 1.00 1.42 C ATOM 654 O ALA A 42 -7.647 1.314 8.345 1.00 25.31 O ATOM 655 CB ALA A 42 -8.506 -1.802 7.521 1.00 33.24 C ATOM 0 H ALA A 42 -9.514 -1.141 5.363 1.00 4.21 H new ATOM 0 HA ALA A 42 -9.712 -0.098 8.006 1.00 13.04 H new ATOM 0 HB1 ALA A 42 -8.024 -1.844 8.498 1.00 33.24 H new ATOM 0 HB2 ALA A 42 -9.360 -2.479 7.508 1.00 33.24 H new ATOM 0 HB3 ALA A 42 -7.794 -2.102 6.752 1.00 33.24 H new ATOM 661 N LEU A 43 -6.989 0.663 6.292 1.00 51.13 N ATOM 662 CA LEU A 43 -5.858 1.599 6.228 1.00 60.24 C ATOM 663 C LEU A 43 -6.337 3.062 6.214 1.00 22.12 C ATOM 664 O LEU A 43 -5.649 3.958 6.705 1.00 62.43 O ATOM 665 CB LEU A 43 -5.006 1.319 4.984 1.00 20.42 C ATOM 666 CG LEU A 43 -4.388 -0.088 4.912 1.00 42.03 C ATOM 667 CD1 LEU A 43 -3.582 -0.259 3.625 1.00 55.25 C ATOM 668 CD2 LEU A 43 -3.519 -0.359 6.138 1.00 55.35 C ATOM 0 H LEU A 43 -7.087 0.069 5.469 1.00 51.13 H new ATOM 0 HA LEU A 43 -5.253 1.448 7.122 1.00 60.24 H new ATOM 0 HB2 LEU A 43 -5.624 1.472 4.099 1.00 20.42 H new ATOM 0 HB3 LEU A 43 -4.202 2.053 4.942 1.00 20.42 H new ATOM 0 HG LEU A 43 -5.198 -0.817 4.903 1.00 42.03 H new ATOM 0 HD11 LEU A 43 -3.154 -1.261 3.594 1.00 55.25 H new ATOM 0 HD12 LEU A 43 -4.236 -0.117 2.765 1.00 55.25 H new ATOM 0 HD13 LEU A 43 -2.781 0.479 3.597 1.00 55.25 H new ATOM 0 HD21 LEU A 43 -3.092 -1.359 6.067 1.00 55.35 H new ATOM 0 HD22 LEU A 43 -2.716 0.376 6.184 1.00 55.35 H new ATOM 0 HD23 LEU A 43 -4.128 -0.288 7.039 1.00 55.35 H new ATOM 680 N GLY A 44 -7.524 3.291 5.648 1.00 4.23 N ATOM 681 CA GLY A 44 -8.111 4.630 5.626 1.00 12.50 C ATOM 682 C GLY A 44 -8.516 5.133 7.014 1.00 24.55 C ATOM 683 O GLY A 44 -8.856 6.306 7.186 1.00 55.33 O ATOM 0 H GLY A 44 -8.093 2.572 5.202 1.00 4.23 H new ATOM 0 HA2 GLY A 44 -7.396 5.326 5.189 1.00 12.50 H new ATOM 0 HA3 GLY A 44 -8.988 4.625 4.978 1.00 12.50 H new ATOM 687 N ASN A 45 -8.495 4.237 7.999 1.00 33.01 N ATOM 688 CA ASN A 45 -8.778 4.595 9.394 1.00 21.12 C ATOM 689 C ASN A 45 -7.493 5.052 10.111 1.00 41.12 C ATOM 690 O ASN A 45 -7.543 5.643 11.191 1.00 52.50 O ATOM 691 CB ASN A 45 -9.389 3.386 10.122 1.00 45.34 C ATOM 692 CG ASN A 45 -9.821 3.700 11.545 1.00 3.42 C ATOM 693 OD1 ASN A 45 -10.959 4.078 11.792 1.00 43.32 O ATOM 694 ND2 ASN A 45 -8.917 3.542 12.494 1.00 33.03 N ATOM 0 H ASN A 45 -8.283 3.249 7.858 1.00 33.01 H new ATOM 0 HA ASN A 45 -9.488 5.422 9.407 1.00 21.12 H new ATOM 0 HB2 ASN A 45 -10.250 3.028 9.558 1.00 45.34 H new ATOM 0 HB3 ASN A 45 -8.661 2.575 10.141 1.00 45.34 H new ATOM 0 HD21 ASN A 45 -9.158 3.736 13.466 1.00 33.03 H new ATOM 0 HD22 ASN A 45 -7.977 3.226 12.255 1.00 33.03 H new ATOM 701 N LEU A 46 -6.344 4.778 9.496 1.00 35.45 N ATOM 702 CA LEU A 46 -5.041 5.081 10.100 1.00 41.22 C ATOM 703 C LEU A 46 -4.575 6.511 9.774 1.00 2.11 C ATOM 704 O LEU A 46 -4.954 7.080 8.749 1.00 54.42 O ATOM 705 CB LEU A 46 -3.994 4.070 9.608 1.00 21.23 C ATOM 706 CG LEU A 46 -4.298 2.599 9.933 1.00 24.52 C ATOM 707 CD1 LEU A 46 -3.225 1.687 9.346 1.00 1.40 C ATOM 708 CD2 LEU A 46 -4.419 2.390 11.443 1.00 21.43 C ATOM 0 H LEU A 46 -6.286 4.344 8.575 1.00 35.45 H new ATOM 0 HA LEU A 46 -5.152 5.007 11.182 1.00 41.22 H new ATOM 0 HB2 LEU A 46 -3.893 4.173 8.528 1.00 21.23 H new ATOM 0 HB3 LEU A 46 -3.029 4.329 10.044 1.00 21.23 H new ATOM 0 HG LEU A 46 -5.254 2.340 9.478 1.00 24.52 H new ATOM 0 HD11 LEU A 46 -3.458 0.650 9.587 1.00 1.40 H new ATOM 0 HD12 LEU A 46 -3.195 1.810 8.263 1.00 1.40 H new ATOM 0 HD13 LEU A 46 -2.255 1.948 9.768 1.00 1.40 H new ATOM 0 HD21 LEU A 46 -4.634 1.342 11.649 1.00 21.43 H new ATOM 0 HD22 LEU A 46 -3.482 2.670 11.925 1.00 21.43 H new ATOM 0 HD23 LEU A 46 -5.227 3.010 11.833 1.00 21.43 H new ATOM 720 N PRO A 47 -3.753 7.117 10.657 1.00 12.11 N ATOM 721 CA PRO A 47 -3.156 8.442 10.416 1.00 1.24 C ATOM 722 C PRO A 47 -1.887 8.370 9.545 1.00 41.41 C ATOM 723 O PRO A 47 -1.571 7.327 8.977 1.00 23.44 O ATOM 724 CB PRO A 47 -2.814 8.906 11.833 1.00 13.14 C ATOM 725 CG PRO A 47 -2.476 7.650 12.563 1.00 64.22 C ATOM 726 CD PRO A 47 -3.356 6.570 11.975 1.00 25.41 C ATOM 0 HA PRO A 47 -3.823 9.110 9.871 1.00 1.24 H new ATOM 0 HB2 PRO A 47 -1.976 9.603 11.832 1.00 13.14 H new ATOM 0 HB3 PRO A 47 -3.656 9.421 12.297 1.00 13.14 H new ATOM 0 HG2 PRO A 47 -1.422 7.401 12.442 1.00 64.22 H new ATOM 0 HG3 PRO A 47 -2.657 7.760 13.632 1.00 64.22 H new ATOM 0 HD2 PRO A 47 -2.818 5.628 11.872 1.00 25.41 H new ATOM 0 HD3 PRO A 47 -4.224 6.374 12.605 1.00 25.41 H new ATOM 734 N GLU A 48 -1.163 9.484 9.438 1.00 70.12 N ATOM 735 CA GLU A 48 0.087 9.515 8.667 1.00 30.22 C ATOM 736 C GLU A 48 1.255 8.920 9.468 1.00 13.22 C ATOM 737 O GLU A 48 1.830 7.901 9.075 1.00 43.33 O ATOM 738 CB GLU A 48 0.432 10.949 8.239 1.00 54.23 C ATOM 739 CG GLU A 48 1.799 11.071 7.561 1.00 35.34 C ATOM 740 CD GLU A 48 2.161 12.497 7.173 1.00 54.51 C ATOM 741 OE1 GLU A 48 2.106 13.390 8.046 1.00 10.15 O ATOM 742 OE2 GLU A 48 2.510 12.728 5.997 1.00 41.44 O ATOM 0 H GLU A 48 -1.415 10.373 9.871 1.00 70.12 H new ATOM 0 HA GLU A 48 -0.068 8.906 7.777 1.00 30.22 H new ATOM 0 HB2 GLU A 48 -0.337 11.311 7.557 1.00 54.23 H new ATOM 0 HB3 GLU A 48 0.411 11.597 9.116 1.00 54.23 H new ATOM 0 HG2 GLU A 48 2.564 10.680 8.232 1.00 35.34 H new ATOM 0 HG3 GLU A 48 1.809 10.446 6.668 1.00 35.34 H new ATOM 749 N GLY A 49 1.594 9.562 10.588 1.00 41.41 N ATOM 750 CA GLY A 49 2.710 9.114 11.418 1.00 63.04 C ATOM 751 C GLY A 49 2.416 7.819 12.167 1.00 21.34 C ATOM 752 O GLY A 49 2.218 7.822 13.384 1.00 52.33 O ATOM 0 H GLY A 49 1.113 10.390 10.939 1.00 41.41 H new ATOM 0 HA2 GLY A 49 3.589 8.971 10.789 1.00 63.04 H new ATOM 0 HA3 GLY A 49 2.956 9.895 12.137 1.00 63.04 H new ATOM 756 N SER A 50 2.394 6.710 11.436 1.00 5.31 N ATOM 757 CA SER A 50 2.096 5.389 12.006 1.00 32.31 C ATOM 758 C SER A 50 3.302 4.452 11.906 1.00 15.12 C ATOM 759 O SER A 50 4.053 4.488 10.930 1.00 24.13 O ATOM 760 CB SER A 50 0.899 4.755 11.279 1.00 44.02 C ATOM 761 OG SER A 50 0.714 3.396 11.657 1.00 1.11 O ATOM 0 H SER A 50 2.581 6.695 10.433 1.00 5.31 H new ATOM 0 HA SER A 50 1.855 5.532 13.059 1.00 32.31 H new ATOM 0 HB2 SER A 50 -0.005 5.321 11.503 1.00 44.02 H new ATOM 0 HB3 SER A 50 1.054 4.815 10.202 1.00 44.02 H new ATOM 0 HG SER A 50 0.917 2.814 10.895 1.00 1.11 H new ATOM 767 N LYS A 51 3.488 3.619 12.928 1.00 72.02 N ATOM 768 CA LYS A 51 4.530 2.585 12.901 1.00 42.35 C ATOM 769 C LYS A 51 4.148 1.470 11.916 1.00 35.30 C ATOM 770 O LYS A 51 5.003 0.739 11.415 1.00 32.34 O ATOM 771 CB LYS A 51 4.741 2.000 14.304 1.00 13.24 C ATOM 772 CG LYS A 51 5.141 3.035 15.354 1.00 13.03 C ATOM 773 CD LYS A 51 5.434 2.390 16.707 1.00 2.54 C ATOM 774 CE LYS A 51 6.575 1.382 16.615 1.00 31.21 C ATOM 775 NZ LYS A 51 6.867 0.745 17.925 1.00 33.31 N ATOM 0 H LYS A 51 2.934 3.637 13.785 1.00 72.02 H new ATOM 0 HA LYS A 51 5.462 3.043 12.570 1.00 42.35 H new ATOM 0 HB2 LYS A 51 3.822 1.509 14.624 1.00 13.24 H new ATOM 0 HB3 LYS A 51 5.512 1.231 14.254 1.00 13.24 H new ATOM 0 HG2 LYS A 51 6.023 3.577 15.012 1.00 13.03 H new ATOM 0 HG3 LYS A 51 4.341 3.766 15.466 1.00 13.03 H new ATOM 0 HD2 LYS A 51 5.689 3.163 17.431 1.00 2.54 H new ATOM 0 HD3 LYS A 51 4.537 1.892 17.075 1.00 2.54 H new ATOM 0 HE2 LYS A 51 6.320 0.612 15.887 1.00 31.21 H new ATOM 0 HE3 LYS A 51 7.471 1.882 16.248 1.00 31.21 H new ATOM 0 HZ1 LYS A 51 7.649 0.068 17.815 1.00 33.31 H new ATOM 0 HZ2 LYS A 51 7.136 1.476 18.614 1.00 33.31 H new ATOM 0 HZ3 LYS A 51 6.021 0.245 18.264 1.00 33.31 H new ATOM 789 N LEU A 52 2.847 1.354 11.657 1.00 3.20 N ATOM 790 CA LEU A 52 2.320 0.433 10.648 1.00 51.12 C ATOM 791 C LEU A 52 2.209 1.147 9.289 1.00 13.13 C ATOM 792 O LEU A 52 1.372 2.041 9.123 1.00 40.33 O ATOM 793 CB LEU A 52 0.937 -0.076 11.076 1.00 12.41 C ATOM 794 CG LEU A 52 0.197 -0.935 10.036 1.00 43.13 C ATOM 795 CD1 LEU A 52 0.916 -2.262 9.801 1.00 23.14 C ATOM 796 CD2 LEU A 52 -1.248 -1.167 10.465 1.00 50.42 C ATOM 0 H LEU A 52 2.128 1.894 12.139 1.00 3.20 H new ATOM 0 HA LEU A 52 3.001 -0.413 10.554 1.00 51.12 H new ATOM 0 HB2 LEU A 52 1.051 -0.660 11.989 1.00 12.41 H new ATOM 0 HB3 LEU A 52 0.313 0.783 11.322 1.00 12.41 H new ATOM 0 HG LEU A 52 0.192 -0.391 9.091 1.00 43.13 H new ATOM 0 HD11 LEU A 52 0.369 -2.846 9.061 1.00 23.14 H new ATOM 0 HD12 LEU A 52 1.925 -2.070 9.437 1.00 23.14 H new ATOM 0 HD13 LEU A 52 0.968 -2.818 10.737 1.00 23.14 H new ATOM 0 HD21 LEU A 52 -1.756 -1.776 9.718 1.00 50.42 H new ATOM 0 HD22 LEU A 52 -1.264 -1.682 11.425 1.00 50.42 H new ATOM 0 HD23 LEU A 52 -1.758 -0.208 10.559 1.00 50.42 H new ATOM 808 N PRO A 53 3.050 0.783 8.301 1.00 12.14 N ATOM 809 CA PRO A 53 3.053 1.454 6.994 1.00 1.42 C ATOM 810 C PRO A 53 1.780 1.173 6.170 1.00 52.01 C ATOM 811 O PRO A 53 1.694 0.186 5.441 1.00 71.03 O ATOM 812 CB PRO A 53 4.300 0.878 6.289 1.00 24.24 C ATOM 813 CG PRO A 53 5.074 0.169 7.358 1.00 3.35 C ATOM 814 CD PRO A 53 4.058 -0.284 8.370 1.00 11.11 C ATOM 0 HA PRO A 53 3.074 2.538 7.103 1.00 1.42 H new ATOM 0 HB2 PRO A 53 4.017 0.193 5.490 1.00 24.24 H new ATOM 0 HB3 PRO A 53 4.895 1.670 5.834 1.00 24.24 H new ATOM 0 HG2 PRO A 53 5.621 -0.679 6.947 1.00 3.35 H new ATOM 0 HG3 PRO A 53 5.810 0.832 7.813 1.00 3.35 H new ATOM 0 HD2 PRO A 53 3.638 -1.257 8.117 1.00 11.11 H new ATOM 0 HD3 PRO A 53 4.489 -0.373 9.367 1.00 11.11 H new ATOM 822 N TRP A 54 0.809 2.072 6.278 1.00 14.45 N ATOM 823 CA TRP A 54 -0.443 1.983 5.511 1.00 2.30 C ATOM 824 C TRP A 54 -0.220 2.325 4.030 1.00 45.15 C ATOM 825 O TRP A 54 -0.827 1.736 3.138 1.00 12.34 O ATOM 826 CB TRP A 54 -1.483 2.935 6.124 1.00 43.41 C ATOM 827 CG TRP A 54 -0.970 4.342 6.304 1.00 45.12 C ATOM 828 CD1 TRP A 54 -0.253 4.822 7.364 1.00 43.04 C ATOM 829 CD2 TRP A 54 -1.135 5.443 5.399 1.00 73.43 C ATOM 830 NE1 TRP A 54 0.052 6.146 7.165 1.00 12.13 N ATOM 831 CE2 TRP A 54 -0.486 6.553 5.972 1.00 24.10 C ATOM 832 CE3 TRP A 54 -1.770 5.599 4.162 1.00 51.24 C ATOM 833 CZ2 TRP A 54 -0.449 7.798 5.349 1.00 64.22 C ATOM 834 CZ3 TRP A 54 -1.733 6.834 3.545 1.00 10.44 C ATOM 835 CH2 TRP A 54 -1.077 7.920 4.140 1.00 75.04 C ATOM 0 H TRP A 54 0.860 2.883 6.895 1.00 14.45 H new ATOM 0 HA TRP A 54 -0.807 0.957 5.561 1.00 2.30 H new ATOM 0 HB2 TRP A 54 -2.366 2.957 5.486 1.00 43.41 H new ATOM 0 HB3 TRP A 54 -1.798 2.544 7.091 1.00 43.41 H new ATOM 0 HD1 TRP A 54 0.032 4.245 8.231 1.00 43.04 H new ATOM 0 HE1 TRP A 54 0.592 6.732 7.802 1.00 12.13 H new ATOM 0 HE3 TRP A 54 -2.280 4.768 3.698 1.00 51.24 H new ATOM 0 HZ2 TRP A 54 0.057 8.637 5.804 1.00 64.22 H new ATOM 0 HZ3 TRP A 54 -2.217 6.965 2.589 1.00 10.44 H new ATOM 0 HH2 TRP A 54 -1.067 8.874 3.633 1.00 75.04 H new ATOM 846 N PHE A 55 0.688 3.262 3.786 1.00 40.11 N ATOM 847 CA PHE A 55 0.979 3.772 2.439 1.00 33.41 C ATOM 848 C PHE A 55 1.637 2.727 1.512 1.00 3.32 C ATOM 849 O PHE A 55 1.947 3.032 0.363 1.00 11.20 O ATOM 850 CB PHE A 55 1.882 5.009 2.556 1.00 63.52 C ATOM 851 CG PHE A 55 3.059 4.814 3.484 1.00 13.24 C ATOM 852 CD1 PHE A 55 4.246 4.257 3.025 1.00 2.34 C ATOM 853 CD2 PHE A 55 2.973 5.184 4.820 1.00 13.40 C ATOM 854 CE1 PHE A 55 5.318 4.077 3.879 1.00 23.33 C ATOM 855 CE2 PHE A 55 4.042 5.005 5.675 1.00 73.12 C ATOM 856 CZ PHE A 55 5.217 4.451 5.204 1.00 61.45 C ATOM 0 H PHE A 55 1.250 3.696 4.518 1.00 40.11 H new ATOM 0 HA PHE A 55 0.024 4.028 1.980 1.00 33.41 H new ATOM 0 HB2 PHE A 55 2.251 5.274 1.565 1.00 63.52 H new ATOM 0 HB3 PHE A 55 1.287 5.851 2.910 1.00 63.52 H new ATOM 0 HD1 PHE A 55 4.332 3.961 1.990 1.00 2.34 H new ATOM 0 HD2 PHE A 55 2.058 5.618 5.195 1.00 13.40 H new ATOM 0 HE1 PHE A 55 6.235 3.643 3.509 1.00 23.33 H new ATOM 0 HE2 PHE A 55 3.960 5.298 6.711 1.00 73.12 H new ATOM 0 HZ PHE A 55 6.055 4.311 5.871 1.00 61.45 H new ATOM 866 N ARG A 56 1.848 1.507 2.001 1.00 43.23 N ATOM 867 CA ARG A 56 2.493 0.453 1.202 1.00 50.15 C ATOM 868 C ARG A 56 1.498 -0.304 0.310 1.00 33.04 C ATOM 869 O ARG A 56 1.893 -0.936 -0.674 1.00 43.53 O ATOM 870 CB ARG A 56 3.210 -0.544 2.120 1.00 34.22 C ATOM 871 CG ARG A 56 4.402 0.039 2.869 1.00 61.12 C ATOM 872 CD ARG A 56 5.496 0.526 1.921 1.00 62.15 C ATOM 873 NE ARG A 56 6.771 0.693 2.617 1.00 34.33 N ATOM 874 CZ ARG A 56 7.739 -0.176 2.570 1.00 3.14 C ATOM 875 NH1 ARG A 56 7.687 -1.172 1.751 1.00 2.51 N ATOM 876 NH2 ARG A 56 8.789 -0.014 3.296 1.00 20.32 N ATOM 0 H ARG A 56 1.585 1.219 2.943 1.00 43.23 H new ATOM 0 HA ARG A 56 3.212 0.949 0.550 1.00 50.15 H new ATOM 0 HB2 ARG A 56 2.494 -0.932 2.845 1.00 34.22 H new ATOM 0 HB3 ARG A 56 3.549 -1.390 1.523 1.00 34.22 H new ATOM 0 HG2 ARG A 56 4.067 0.869 3.492 1.00 61.12 H new ATOM 0 HG3 ARG A 56 4.813 -0.716 3.538 1.00 61.12 H new ATOM 0 HD2 ARG A 56 5.616 -0.187 1.105 1.00 62.15 H new ATOM 0 HD3 ARG A 56 5.197 1.474 1.474 1.00 62.15 H new ATOM 0 HE ARG A 56 6.910 1.538 3.171 1.00 34.33 H new ATOM 0 HH11 ARG A 56 6.883 -1.283 1.134 1.00 2.51 H new ATOM 0 HH12 ARG A 56 8.450 -1.848 1.721 1.00 2.51 H new ATOM 0 HH21 ARG A 56 8.864 0.797 3.910 1.00 20.32 H new ATOM 0 HH22 ARG A 56 9.546 -0.696 3.257 1.00 20.32 H new ATOM 890 N VAL A 57 0.215 -0.249 0.654 1.00 74.10 N ATOM 891 CA VAL A 57 -0.806 -1.026 -0.058 1.00 75.15 C ATOM 892 C VAL A 57 -1.707 -0.124 -0.922 1.00 44.01 C ATOM 893 O VAL A 57 -2.603 0.556 -0.415 1.00 33.12 O ATOM 894 CB VAL A 57 -1.672 -1.841 0.936 1.00 74.24 C ATOM 895 CG1 VAL A 57 -2.562 -2.833 0.196 1.00 31.42 C ATOM 896 CG2 VAL A 57 -0.794 -2.560 1.961 1.00 0.11 C ATOM 0 H VAL A 57 -0.146 0.322 1.418 1.00 74.10 H new ATOM 0 HA VAL A 57 -0.282 -1.716 -0.720 1.00 75.15 H new ATOM 0 HB VAL A 57 -2.316 -1.143 1.471 1.00 74.24 H new ATOM 0 HG11 VAL A 57 -3.160 -3.393 0.916 1.00 31.42 H new ATOM 0 HG12 VAL A 57 -3.222 -2.293 -0.483 1.00 31.42 H new ATOM 0 HG13 VAL A 57 -1.941 -3.523 -0.375 1.00 31.42 H new ATOM 0 HG21 VAL A 57 -1.424 -3.125 2.648 1.00 0.11 H new ATOM 0 HG22 VAL A 57 -0.117 -3.241 1.446 1.00 0.11 H new ATOM 0 HG23 VAL A 57 -0.214 -1.827 2.521 1.00 0.11 H new ATOM 906 N ILE A 58 -1.450 -0.117 -2.230 1.00 12.23 N ATOM 907 CA ILE A 58 -2.205 0.712 -3.180 1.00 24.14 C ATOM 908 C ILE A 58 -3.121 -0.138 -4.083 1.00 72.21 C ATOM 909 O ILE A 58 -3.286 -1.343 -3.871 1.00 55.21 O ATOM 910 CB ILE A 58 -1.251 1.551 -4.069 1.00 43.31 C ATOM 911 CG1 ILE A 58 -0.321 0.638 -4.886 1.00 61.45 C ATOM 912 CG2 ILE A 58 -0.441 2.527 -3.213 1.00 30.34 C ATOM 913 CD1 ILE A 58 0.589 1.386 -5.840 1.00 24.23 C ATOM 0 H ILE A 58 -0.718 -0.681 -2.663 1.00 12.23 H new ATOM 0 HA ILE A 58 -2.827 1.380 -2.584 1.00 24.14 H new ATOM 0 HB ILE A 58 -1.854 2.129 -4.769 1.00 43.31 H new ATOM 0 HG12 ILE A 58 0.291 0.051 -4.200 1.00 61.45 H new ATOM 0 HG13 ILE A 58 -0.927 -0.067 -5.455 1.00 61.45 H new ATOM 0 HG21 ILE A 58 0.223 3.108 -3.853 1.00 30.34 H new ATOM 0 HG22 ILE A 58 -1.119 3.200 -2.688 1.00 30.34 H new ATOM 0 HG23 ILE A 58 0.151 1.970 -2.487 1.00 30.34 H new ATOM 0 HD11 ILE A 58 1.214 0.675 -6.380 1.00 24.23 H new ATOM 0 HD12 ILE A 58 -0.014 1.951 -6.551 1.00 24.23 H new ATOM 0 HD13 ILE A 58 1.223 2.071 -5.277 1.00 24.23 H new ATOM 925 N ASN A 59 -3.727 0.500 -5.089 1.00 2.41 N ATOM 926 CA ASN A 59 -4.647 -0.193 -6.002 1.00 54.20 C ATOM 927 C ASN A 59 -3.914 -0.767 -7.233 1.00 34.43 C ATOM 928 O ASN A 59 -2.884 -0.243 -7.664 1.00 12.20 O ATOM 929 CB ASN A 59 -5.783 0.753 -6.418 1.00 34.42 C ATOM 930 CG ASN A 59 -5.295 1.977 -7.166 1.00 10.03 C ATOM 931 OD1 ASN A 59 -5.391 1.948 -8.477 1.00 15.44 O flip ATOM 932 ND2 ASN A 59 -4.868 2.953 -6.568 1.00 55.24 N flip ATOM 0 H ASN A 59 -3.599 1.491 -5.293 1.00 2.41 H new ATOM 0 HA ASN A 59 -5.076 -1.043 -5.471 1.00 54.20 H new ATOM 0 HB2 ASN A 59 -6.489 0.209 -7.045 1.00 34.42 H new ATOM 0 HB3 ASN A 59 -6.327 1.071 -5.528 1.00 34.42 H new ATOM 0 HD21 ASN A 59 -4.807 2.941 -5.550 1.00 55.24 H new ATOM 0 HD22 ASN A 59 -4.572 3.780 -7.087 1.00 55.24 H new ATOM 939 N SER A 60 -4.477 -1.831 -7.811 1.00 34.13 N ATOM 940 CA SER A 60 -3.804 -2.635 -8.853 1.00 64.42 C ATOM 941 C SER A 60 -3.542 -1.872 -10.168 1.00 43.03 C ATOM 942 O SER A 60 -3.003 -2.443 -11.116 1.00 53.43 O ATOM 943 CB SER A 60 -4.635 -3.890 -9.158 1.00 4.11 C ATOM 944 OG SER A 60 -4.871 -4.647 -7.980 1.00 23.01 O ATOM 0 H SER A 60 -5.411 -2.165 -7.575 1.00 34.13 H new ATOM 0 HA SER A 60 -2.828 -2.896 -8.444 1.00 64.42 H new ATOM 0 HB2 SER A 60 -5.586 -3.600 -9.604 1.00 4.11 H new ATOM 0 HB3 SER A 60 -4.114 -4.506 -9.891 1.00 4.11 H new ATOM 0 HG SER A 60 -5.403 -5.439 -8.202 1.00 23.01 H new ATOM 950 N GLN A 61 -3.936 -0.601 -10.247 1.00 74.42 N ATOM 951 CA GLN A 61 -3.628 0.222 -11.433 1.00 24.31 C ATOM 952 C GLN A 61 -2.180 0.726 -11.412 1.00 43.32 C ATOM 953 O GLN A 61 -1.629 1.109 -12.447 1.00 53.11 O ATOM 954 CB GLN A 61 -4.547 1.449 -11.514 1.00 53.21 C ATOM 955 CG GLN A 61 -6.021 1.146 -11.747 1.00 15.15 C ATOM 956 CD GLN A 61 -6.837 2.420 -11.914 1.00 70.34 C ATOM 957 OE1 GLN A 61 -6.335 3.426 -12.403 1.00 35.05 O ATOM 958 NE2 GLN A 61 -8.088 2.392 -11.508 1.00 51.25 N ATOM 0 H GLN A 61 -4.462 -0.118 -9.519 1.00 74.42 H new ATOM 0 HA GLN A 61 -3.783 -0.423 -12.298 1.00 24.31 H new ATOM 0 HB2 GLN A 61 -4.452 2.015 -10.587 1.00 53.21 H new ATOM 0 HB3 GLN A 61 -4.194 2.094 -12.319 1.00 53.21 H new ATOM 0 HG2 GLN A 61 -6.129 0.525 -12.636 1.00 15.15 H new ATOM 0 HG3 GLN A 61 -6.412 0.571 -10.908 1.00 15.15 H new ATOM 0 HE21 GLN A 61 -8.475 1.538 -11.106 1.00 51.25 H new ATOM 0 HE22 GLN A 61 -8.671 3.224 -11.596 1.00 51.25 H new ATOM 967 N GLY A 62 -1.574 0.737 -10.232 1.00 44.34 N ATOM 968 CA GLY A 62 -0.303 1.426 -10.057 1.00 61.03 C ATOM 969 C GLY A 62 -0.521 2.905 -9.780 1.00 72.51 C ATOM 970 O GLY A 62 0.135 3.769 -10.359 1.00 21.30 O ATOM 0 H GLY A 62 -1.936 0.284 -9.393 1.00 44.34 H new ATOM 0 HA2 GLY A 62 0.249 0.975 -9.232 1.00 61.03 H new ATOM 0 HA3 GLY A 62 0.307 1.306 -10.952 1.00 61.03 H new ATOM 974 N LYS A 63 -1.474 3.190 -8.897 1.00 33.20 N ATOM 975 CA LYS A 63 -1.834 4.564 -8.539 1.00 71.23 C ATOM 976 C LYS A 63 -2.107 4.691 -7.036 1.00 74.54 C ATOM 977 O LYS A 63 -2.129 3.700 -6.306 1.00 3.25 O ATOM 978 CB LYS A 63 -3.082 5.034 -9.310 1.00 53.53 C ATOM 979 CG LYS A 63 -2.864 5.289 -10.799 1.00 34.23 C ATOM 980 CD LYS A 63 -4.087 5.960 -11.425 1.00 20.43 C ATOM 981 CE LYS A 63 -3.848 6.351 -12.877 1.00 72.22 C ATOM 982 NZ LYS A 63 -3.746 5.169 -13.771 1.00 73.23 N ATOM 0 H LYS A 63 -2.019 2.479 -8.409 1.00 33.20 H new ATOM 0 HA LYS A 63 -0.985 5.193 -8.808 1.00 71.23 H new ATOM 0 HB2 LYS A 63 -3.864 4.284 -9.196 1.00 53.53 H new ATOM 0 HB3 LYS A 63 -3.450 5.951 -8.850 1.00 53.53 H new ATOM 0 HG2 LYS A 63 -1.987 5.921 -10.939 1.00 34.23 H new ATOM 0 HG3 LYS A 63 -2.662 4.346 -11.307 1.00 34.23 H new ATOM 0 HD2 LYS A 63 -4.940 5.283 -11.368 1.00 20.43 H new ATOM 0 HD3 LYS A 63 -4.346 6.848 -10.849 1.00 20.43 H new ATOM 0 HE2 LYS A 63 -4.662 6.991 -13.217 1.00 72.22 H new ATOM 0 HE3 LYS A 63 -2.931 6.937 -12.947 1.00 72.22 H new ATOM 0 HZ1 LYS A 63 -3.583 5.486 -14.748 1.00 73.23 H new ATOM 0 HZ2 LYS A 63 -2.953 4.570 -13.465 1.00 73.23 H new ATOM 0 HZ3 LYS A 63 -4.630 4.623 -13.727 1.00 73.23 H new ATOM 996 N ILE A 64 -2.310 5.923 -6.589 1.00 23.30 N ATOM 997 CA ILE A 64 -2.726 6.196 -5.214 1.00 41.10 C ATOM 998 C ILE A 64 -4.261 6.184 -5.118 1.00 14.53 C ATOM 999 O ILE A 64 -4.945 6.801 -5.940 1.00 74.33 O ATOM 1000 CB ILE A 64 -2.181 7.565 -4.727 1.00 13.22 C ATOM 1001 CG1 ILE A 64 -0.647 7.598 -4.854 1.00 2.54 C ATOM 1002 CG2 ILE A 64 -2.617 7.838 -3.285 1.00 32.34 C ATOM 1003 CD1 ILE A 64 -0.025 8.926 -4.475 1.00 43.41 C ATOM 0 H ILE A 64 -2.193 6.758 -7.162 1.00 23.30 H new ATOM 0 HA ILE A 64 -2.315 5.416 -4.574 1.00 41.10 H new ATOM 0 HB ILE A 64 -2.597 8.352 -5.356 1.00 13.22 H new ATOM 0 HG12 ILE A 64 -0.224 6.817 -4.222 1.00 2.54 H new ATOM 0 HG13 ILE A 64 -0.373 7.360 -5.882 1.00 2.54 H new ATOM 0 HG21 ILE A 64 -2.225 8.802 -2.963 1.00 32.34 H new ATOM 0 HG22 ILE A 64 -3.706 7.853 -3.231 1.00 32.34 H new ATOM 0 HG23 ILE A 64 -2.232 7.054 -2.634 1.00 32.34 H new ATOM 0 HD11 ILE A 64 1.057 8.867 -4.591 1.00 43.41 H new ATOM 0 HD12 ILE A 64 -0.418 9.710 -5.123 1.00 43.41 H new ATOM 0 HD13 ILE A 64 -0.266 9.158 -3.438 1.00 43.41 H new ATOM 1015 N SER A 65 -4.799 5.472 -4.129 1.00 55.53 N ATOM 1016 CA SER A 65 -6.257 5.360 -3.958 1.00 20.13 C ATOM 1017 C SER A 65 -6.896 6.711 -3.606 1.00 22.12 C ATOM 1018 O SER A 65 -7.872 7.133 -4.230 1.00 22.01 O ATOM 1019 CB SER A 65 -6.589 4.326 -2.872 1.00 24.13 C ATOM 1020 OG SER A 65 -5.944 4.638 -1.645 1.00 30.04 O ATOM 0 H SER A 65 -4.254 4.963 -3.433 1.00 55.53 H new ATOM 0 HA SER A 65 -6.673 5.032 -4.911 1.00 20.13 H new ATOM 0 HB2 SER A 65 -7.668 4.290 -2.719 1.00 24.13 H new ATOM 0 HB3 SER A 65 -6.281 3.335 -3.205 1.00 24.13 H new ATOM 0 HG SER A 65 -5.711 3.809 -1.178 1.00 30.04 H new ATOM 1026 N LEU A 66 -6.336 7.385 -2.608 1.00 15.51 N ATOM 1027 CA LEU A 66 -6.827 8.701 -2.180 1.00 72.33 C ATOM 1028 C LEU A 66 -6.350 9.823 -3.125 1.00 61.41 C ATOM 1029 O LEU A 66 -5.419 9.636 -3.912 1.00 5.22 O ATOM 1030 CB LEU A 66 -6.366 8.982 -0.742 1.00 72.21 C ATOM 1031 CG LEU A 66 -6.838 7.957 0.309 1.00 0.40 C ATOM 1032 CD1 LEU A 66 -6.262 8.282 1.688 1.00 31.21 C ATOM 1033 CD2 LEU A 66 -8.365 7.897 0.362 1.00 11.53 C ATOM 0 H LEU A 66 -5.537 7.044 -2.074 1.00 15.51 H new ATOM 0 HA LEU A 66 -7.916 8.685 -2.217 1.00 72.33 H new ATOM 0 HB2 LEU A 66 -5.277 9.019 -0.727 1.00 72.21 H new ATOM 0 HB3 LEU A 66 -6.723 9.970 -0.449 1.00 72.21 H new ATOM 0 HG LEU A 66 -6.468 6.976 0.011 1.00 0.40 H new ATOM 0 HD11 LEU A 66 -6.610 7.544 2.411 1.00 31.21 H new ATOM 0 HD12 LEU A 66 -5.173 8.259 1.642 1.00 31.21 H new ATOM 0 HD13 LEU A 66 -6.592 9.275 1.995 1.00 31.21 H new ATOM 0 HD21 LEU A 66 -8.675 7.167 1.110 1.00 11.53 H new ATOM 0 HD22 LEU A 66 -8.759 8.878 0.627 1.00 11.53 H new ATOM 0 HD23 LEU A 66 -8.752 7.603 -0.614 1.00 11.53 H new ATOM 1045 N LYS A 67 -6.994 10.989 -3.049 1.00 13.34 N ATOM 1046 CA LYS A 67 -6.658 12.118 -3.931 1.00 45.40 C ATOM 1047 C LYS A 67 -6.462 13.424 -3.142 1.00 30.03 C ATOM 1048 O LYS A 67 -6.798 13.505 -1.959 1.00 2.43 O ATOM 1049 CB LYS A 67 -7.746 12.304 -5.002 1.00 35.42 C ATOM 1050 CG LYS A 67 -7.977 11.063 -5.862 1.00 72.04 C ATOM 1051 CD LYS A 67 -8.956 11.324 -7.004 1.00 14.50 C ATOM 1052 CE LYS A 67 -9.202 10.065 -7.831 1.00 71.12 C ATOM 1053 NZ LYS A 67 -7.936 9.474 -8.352 1.00 3.35 N ATOM 0 H LYS A 67 -7.749 11.180 -2.390 1.00 13.34 H new ATOM 0 HA LYS A 67 -5.712 11.881 -4.418 1.00 45.40 H new ATOM 0 HB2 LYS A 67 -8.682 12.577 -4.514 1.00 35.42 H new ATOM 0 HB3 LYS A 67 -7.469 13.137 -5.648 1.00 35.42 H new ATOM 0 HG2 LYS A 67 -7.025 10.726 -6.272 1.00 72.04 H new ATOM 0 HG3 LYS A 67 -8.359 10.256 -5.236 1.00 72.04 H new ATOM 0 HD2 LYS A 67 -9.901 11.684 -6.598 1.00 14.50 H new ATOM 0 HD3 LYS A 67 -8.564 12.112 -7.647 1.00 14.50 H new ATOM 0 HE2 LYS A 67 -9.720 9.327 -7.219 1.00 71.12 H new ATOM 0 HE3 LYS A 67 -9.859 10.305 -8.667 1.00 71.12 H new ATOM 0 HZ1 LYS A 67 -8.158 8.751 -9.066 1.00 3.35 H new ATOM 0 HZ2 LYS A 67 -7.356 10.221 -8.785 1.00 3.35 H new ATOM 0 HZ3 LYS A 67 -7.409 9.037 -7.569 1.00 3.35 H new ATOM 1067 N GLY A 68 -5.898 14.436 -3.803 1.00 54.42 N ATOM 1068 CA GLY A 68 -5.685 15.735 -3.169 1.00 53.43 C ATOM 1069 C GLY A 68 -4.668 15.697 -2.027 1.00 62.22 C ATOM 1070 O GLY A 68 -3.617 15.068 -2.144 1.00 70.34 O ATOM 0 H GLY A 68 -5.583 14.381 -4.771 1.00 54.42 H new ATOM 0 HA2 GLY A 68 -5.347 16.447 -3.922 1.00 53.43 H new ATOM 0 HA3 GLY A 68 -6.636 16.104 -2.786 1.00 53.43 H new ATOM 1074 N ARG A 69 -4.983 16.382 -0.925 1.00 65.13 N ATOM 1075 CA ARG A 69 -4.116 16.421 0.263 1.00 64.00 C ATOM 1076 C ARG A 69 -3.665 15.014 0.705 1.00 20.24 C ATOM 1077 O ARG A 69 -2.500 14.804 1.042 1.00 34.25 O ATOM 1078 CB ARG A 69 -4.826 17.132 1.435 1.00 34.01 C ATOM 1079 CG ARG A 69 -6.101 16.435 1.933 1.00 54.14 C ATOM 1080 CD ARG A 69 -7.271 16.589 0.963 1.00 2.42 C ATOM 1081 NE ARG A 69 -8.405 15.739 1.315 1.00 21.41 N ATOM 1082 CZ ARG A 69 -9.557 15.758 0.699 1.00 43.44 C ATOM 1083 NH1 ARG A 69 -9.778 16.604 -0.256 1.00 2.40 N ATOM 1084 NH2 ARG A 69 -10.492 14.932 1.045 1.00 74.54 N ATOM 0 H ARG A 69 -5.842 16.924 -0.828 1.00 65.13 H new ATOM 0 HA ARG A 69 -3.226 16.984 -0.017 1.00 64.00 H new ATOM 0 HB2 ARG A 69 -4.127 17.218 2.267 1.00 34.01 H new ATOM 0 HB3 ARG A 69 -5.080 18.146 1.126 1.00 34.01 H new ATOM 0 HG2 ARG A 69 -5.896 15.375 2.084 1.00 54.14 H new ATOM 0 HG3 ARG A 69 -6.381 16.847 2.903 1.00 54.14 H new ATOM 0 HD2 ARG A 69 -7.592 17.630 0.949 1.00 2.42 H new ATOM 0 HD3 ARG A 69 -6.937 16.345 -0.045 1.00 2.42 H new ATOM 0 HE ARG A 69 -8.290 15.088 2.092 1.00 21.41 H new ATOM 0 HH11 ARG A 69 -9.050 17.262 -0.533 1.00 2.40 H new ATOM 0 HH12 ARG A 69 -10.680 16.612 -0.732 1.00 2.40 H new ATOM 0 HH21 ARG A 69 -10.330 14.265 1.800 1.00 74.54 H new ATOM 0 HH22 ARG A 69 -11.391 14.948 0.563 1.00 74.54 H new ATOM 1098 N ASP A 70 -4.590 14.054 0.695 1.00 71.01 N ATOM 1099 CA ASP A 70 -4.278 12.679 1.091 1.00 62.30 C ATOM 1100 C ASP A 70 -3.352 11.990 0.073 1.00 11.43 C ATOM 1101 O ASP A 70 -2.567 11.109 0.431 1.00 1.31 O ATOM 1102 CB ASP A 70 -5.570 11.881 1.273 1.00 74.31 C ATOM 1103 CG ASP A 70 -6.378 12.373 2.461 1.00 23.33 C ATOM 1104 OD1 ASP A 70 -6.097 11.934 3.597 1.00 24.13 O ATOM 1105 OD2 ASP A 70 -7.283 13.212 2.273 1.00 75.54 O ATOM 0 H ASP A 70 -5.560 14.202 0.418 1.00 71.01 H new ATOM 0 HA ASP A 70 -3.745 12.715 2.041 1.00 62.30 H new ATOM 0 HB2 ASP A 70 -6.173 11.956 0.368 1.00 74.31 H new ATOM 0 HB3 ASP A 70 -5.329 10.827 1.410 1.00 74.31 H new ATOM 1110 N LEU A 71 -3.444 12.402 -1.192 1.00 50.42 N ATOM 1111 CA LEU A 71 -2.554 11.891 -2.242 1.00 4.25 C ATOM 1112 C LEU A 71 -1.110 12.334 -1.973 1.00 12.14 C ATOM 1113 O LEU A 71 -0.196 11.511 -1.944 1.00 24.33 O ATOM 1114 CB LEU A 71 -3.038 12.372 -3.626 1.00 64.45 C ATOM 1115 CG LEU A 71 -2.313 11.784 -4.861 1.00 4.41 C ATOM 1116 CD1 LEU A 71 -3.197 11.897 -6.102 1.00 53.21 C ATOM 1117 CD2 LEU A 71 -0.972 12.484 -5.111 1.00 33.31 C ATOM 0 H LEU A 71 -4.125 13.088 -1.517 1.00 50.42 H new ATOM 0 HA LEU A 71 -2.579 10.801 -2.235 1.00 4.25 H new ATOM 0 HB2 LEU A 71 -4.100 12.142 -3.714 1.00 64.45 H new ATOM 0 HB3 LEU A 71 -2.943 13.457 -3.661 1.00 64.45 H new ATOM 0 HG LEU A 71 -2.114 10.732 -4.656 1.00 4.41 H new ATOM 0 HD11 LEU A 71 -2.673 11.479 -6.961 1.00 53.21 H new ATOM 0 HD12 LEU A 71 -4.124 11.347 -5.940 1.00 53.21 H new ATOM 0 HD13 LEU A 71 -3.426 12.946 -6.291 1.00 53.21 H new ATOM 0 HD21 LEU A 71 -0.490 12.046 -5.985 1.00 33.31 H new ATOM 0 HD22 LEU A 71 -1.143 13.546 -5.285 1.00 33.31 H new ATOM 0 HD23 LEU A 71 -0.328 12.358 -4.241 1.00 33.31 H new ATOM 1129 N ASP A 72 -0.913 13.637 -1.759 1.00 21.44 N ATOM 1130 CA ASP A 72 0.418 14.177 -1.458 1.00 51.12 C ATOM 1131 C ASP A 72 0.959 13.636 -0.123 1.00 33.02 C ATOM 1132 O ASP A 72 2.154 13.383 0.014 1.00 32.20 O ATOM 1133 CB ASP A 72 0.385 15.707 -1.425 1.00 65.32 C ATOM 1134 CG ASP A 72 -0.045 16.303 -2.752 1.00 43.35 C ATOM 1135 OD1 ASP A 72 0.646 16.078 -3.769 1.00 53.04 O ATOM 1136 OD2 ASP A 72 -1.077 16.998 -2.786 1.00 50.42 O ATOM 0 H ASP A 72 -1.654 14.337 -1.788 1.00 21.44 H new ATOM 0 HA ASP A 72 1.089 13.852 -2.253 1.00 51.12 H new ATOM 0 HB2 ASP A 72 -0.299 16.037 -0.643 1.00 65.32 H new ATOM 0 HB3 ASP A 72 1.374 16.084 -1.163 1.00 65.32 H new ATOM 1141 N ARG A 73 0.075 13.464 0.861 1.00 31.43 N ATOM 1142 CA ARG A 73 0.460 12.892 2.160 1.00 52.33 C ATOM 1143 C ARG A 73 1.020 11.463 1.996 1.00 13.24 C ATOM 1144 O ARG A 73 2.126 11.152 2.460 1.00 20.23 O ATOM 1145 CB ARG A 73 -0.747 12.892 3.117 1.00 41.22 C ATOM 1146 CG ARG A 73 -0.452 12.281 4.485 1.00 11.44 C ATOM 1147 CD ARG A 73 -1.615 12.455 5.460 1.00 54.23 C ATOM 1148 NE ARG A 73 -2.848 11.829 4.980 1.00 33.51 N ATOM 1149 CZ ARG A 73 -3.286 10.661 5.375 1.00 34.54 C ATOM 1150 NH1 ARG A 73 -2.606 9.946 6.213 1.00 1.34 N ATOM 1151 NH2 ARG A 73 -4.409 10.206 4.927 1.00 31.42 N ATOM 0 H ARG A 73 -0.912 13.711 0.787 1.00 31.43 H new ATOM 0 HA ARG A 73 1.249 13.512 2.586 1.00 52.33 H new ATOM 0 HB2 ARG A 73 -1.089 13.918 3.254 1.00 41.22 H new ATOM 0 HB3 ARG A 73 -1.566 12.342 2.653 1.00 41.22 H new ATOM 0 HG2 ARG A 73 -0.235 11.219 4.367 1.00 11.44 H new ATOM 0 HG3 ARG A 73 0.442 12.745 4.903 1.00 11.44 H new ATOM 0 HD2 ARG A 73 -1.344 12.024 6.424 1.00 54.23 H new ATOM 0 HD3 ARG A 73 -1.791 13.518 5.624 1.00 54.23 H new ATOM 0 HE ARG A 73 -3.403 12.337 4.291 1.00 33.51 H new ATOM 0 HH11 ARG A 73 -1.717 10.291 6.574 1.00 1.34 H new ATOM 0 HH12 ARG A 73 -2.960 9.037 6.512 1.00 1.34 H new ATOM 0 HH21 ARG A 73 -4.955 10.757 4.265 1.00 31.42 H new ATOM 0 HH22 ARG A 73 -4.750 9.295 5.235 1.00 31.42 H new ATOM 1165 N GLN A 74 0.248 10.605 1.327 1.00 33.42 N ATOM 1166 CA GLN A 74 0.668 9.229 1.021 1.00 70.34 C ATOM 1167 C GLN A 74 1.956 9.244 0.172 1.00 53.52 C ATOM 1168 O GLN A 74 2.900 8.490 0.426 1.00 11.33 O ATOM 1169 CB GLN A 74 -0.492 8.510 0.295 1.00 73.35 C ATOM 1170 CG GLN A 74 -0.359 6.990 0.168 1.00 11.54 C ATOM 1171 CD GLN A 74 0.547 6.548 -0.966 1.00 74.55 C ATOM 1172 OE1 GLN A 74 0.703 7.244 -1.959 1.00 70.15 O ATOM 1173 NE2 GLN A 74 1.118 5.368 -0.847 1.00 44.03 N ATOM 0 H GLN A 74 -0.683 10.839 0.982 1.00 33.42 H new ATOM 0 HA GLN A 74 0.895 8.686 1.939 1.00 70.34 H new ATOM 0 HB2 GLN A 74 -1.419 8.732 0.824 1.00 73.35 H new ATOM 0 HB3 GLN A 74 -0.587 8.932 -0.705 1.00 73.35 H new ATOM 0 HG2 GLN A 74 0.026 6.589 1.106 1.00 11.54 H new ATOM 0 HG3 GLN A 74 -1.349 6.559 0.019 1.00 11.54 H new ATOM 0 HE21 GLN A 74 0.968 4.811 -0.006 1.00 44.03 H new ATOM 0 HE22 GLN A 74 1.711 5.010 -1.596 1.00 44.03 H new ATOM 1182 N LYS A 75 1.983 10.146 -0.805 1.00 65.43 N ATOM 1183 CA LYS A 75 3.154 10.375 -1.664 1.00 54.41 C ATOM 1184 C LYS A 75 4.426 10.670 -0.847 1.00 65.30 C ATOM 1185 O LYS A 75 5.454 10.014 -1.024 1.00 43.43 O ATOM 1186 CB LYS A 75 2.856 11.553 -2.604 1.00 24.02 C ATOM 1187 CG LYS A 75 4.069 12.117 -3.339 1.00 31.54 C ATOM 1188 CD LYS A 75 3.720 13.419 -4.051 1.00 14.43 C ATOM 1189 CE LYS A 75 4.947 14.100 -4.642 1.00 50.11 C ATOM 1190 NZ LYS A 75 4.613 15.433 -5.205 1.00 34.21 N ATOM 0 H LYS A 75 1.189 10.746 -1.029 1.00 65.43 H new ATOM 0 HA LYS A 75 3.341 9.465 -2.234 1.00 54.41 H new ATOM 0 HB2 LYS A 75 2.120 11.232 -3.342 1.00 24.02 H new ATOM 0 HB3 LYS A 75 2.397 12.354 -2.024 1.00 24.02 H new ATOM 0 HG2 LYS A 75 4.879 12.292 -2.631 1.00 31.54 H new ATOM 0 HG3 LYS A 75 4.431 11.388 -4.064 1.00 31.54 H new ATOM 0 HD2 LYS A 75 3.002 13.215 -4.845 1.00 14.43 H new ATOM 0 HD3 LYS A 75 3.234 14.096 -3.348 1.00 14.43 H new ATOM 0 HE2 LYS A 75 5.710 14.210 -3.871 1.00 50.11 H new ATOM 0 HE3 LYS A 75 5.373 13.470 -5.423 1.00 50.11 H new ATOM 0 HZ1 LYS A 75 5.471 15.868 -5.599 1.00 34.21 H new ATOM 0 HZ2 LYS A 75 3.903 15.324 -5.957 1.00 34.21 H new ATOM 0 HZ3 LYS A 75 4.230 16.041 -4.453 1.00 34.21 H new ATOM 1204 N GLN A 76 4.352 11.661 0.042 1.00 31.11 N ATOM 1205 CA GLN A 76 5.502 12.060 0.867 1.00 43.43 C ATOM 1206 C GLN A 76 6.064 10.880 1.666 1.00 23.13 C ATOM 1207 O GLN A 76 7.280 10.753 1.837 1.00 5.03 O ATOM 1208 CB GLN A 76 5.115 13.196 1.822 1.00 62.43 C ATOM 1209 CG GLN A 76 4.795 14.507 1.115 1.00 61.30 C ATOM 1210 CD GLN A 76 4.350 15.608 2.064 1.00 64.22 C ATOM 1211 OE1 GLN A 76 4.859 15.600 3.283 1.00 51.24 O flip ATOM 1212 NE2 GLN A 76 3.561 16.474 1.699 1.00 13.33 N flip ATOM 0 H GLN A 76 3.507 12.206 0.212 1.00 31.11 H new ATOM 0 HA GLN A 76 6.279 12.410 0.188 1.00 43.43 H new ATOM 0 HB2 GLN A 76 4.248 12.888 2.407 1.00 62.43 H new ATOM 0 HB3 GLN A 76 5.931 13.362 2.525 1.00 62.43 H new ATOM 0 HG2 GLN A 76 5.677 14.842 0.569 1.00 61.30 H new ATOM 0 HG3 GLN A 76 4.011 14.333 0.378 1.00 61.30 H new ATOM 0 HE21 GLN A 76 3.185 16.454 0.751 1.00 13.33 H new ATOM 0 HE22 GLN A 76 3.282 17.214 2.343 1.00 13.33 H new ATOM 1221 N LYS A 77 5.177 10.024 2.160 1.00 25.12 N ATOM 1222 CA LYS A 77 5.598 8.822 2.881 1.00 63.22 C ATOM 1223 C LYS A 77 6.321 7.834 1.947 1.00 31.45 C ATOM 1224 O LYS A 77 7.275 7.172 2.352 1.00 33.24 O ATOM 1225 CB LYS A 77 4.391 8.161 3.553 1.00 75.11 C ATOM 1226 CG LYS A 77 3.722 9.015 4.641 1.00 64.24 C ATOM 1227 CD LYS A 77 4.598 9.177 5.895 1.00 42.21 C ATOM 1228 CE LYS A 77 5.606 10.321 5.780 1.00 61.45 C ATOM 1229 NZ LYS A 77 4.944 11.654 5.800 1.00 1.21 N ATOM 0 H LYS A 77 4.167 10.136 2.077 1.00 25.12 H new ATOM 0 HA LYS A 77 6.308 9.117 3.654 1.00 63.22 H new ATOM 0 HB2 LYS A 77 3.651 7.923 2.789 1.00 75.11 H new ATOM 0 HB3 LYS A 77 4.709 7.216 3.994 1.00 75.11 H new ATOM 0 HG2 LYS A 77 3.493 10.000 4.234 1.00 64.24 H new ATOM 0 HG3 LYS A 77 2.773 8.558 4.923 1.00 64.24 H new ATOM 0 HD2 LYS A 77 3.956 9.352 6.759 1.00 42.21 H new ATOM 0 HD3 LYS A 77 5.134 8.246 6.079 1.00 42.21 H new ATOM 0 HE2 LYS A 77 6.320 10.259 6.601 1.00 61.45 H new ATOM 0 HE3 LYS A 77 6.173 10.212 4.856 1.00 61.45 H new ATOM 0 HZ1 LYS A 77 5.338 12.249 5.043 1.00 1.21 H new ATOM 0 HZ2 LYS A 77 3.922 11.536 5.651 1.00 1.21 H new ATOM 0 HZ3 LYS A 77 5.109 12.110 6.720 1.00 1.21 H new ATOM 1243 N LEU A 78 5.878 7.755 0.692 1.00 63.41 N ATOM 1244 CA LEU A 78 6.565 6.938 -0.322 1.00 3.53 C ATOM 1245 C LEU A 78 7.967 7.492 -0.613 1.00 15.23 C ATOM 1246 O LEU A 78 8.947 6.747 -0.680 1.00 21.15 O ATOM 1247 CB LEU A 78 5.757 6.901 -1.622 1.00 13.34 C ATOM 1248 CG LEU A 78 4.343 6.322 -1.509 1.00 50.23 C ATOM 1249 CD1 LEU A 78 3.619 6.440 -2.844 1.00 75.43 C ATOM 1250 CD2 LEU A 78 4.391 4.869 -1.043 1.00 41.30 C ATOM 0 H LEU A 78 5.050 8.243 0.349 1.00 63.41 H new ATOM 0 HA LEU A 78 6.657 5.927 0.075 1.00 3.53 H new ATOM 0 HB2 LEU A 78 5.684 7.916 -2.012 1.00 13.34 H new ATOM 0 HB3 LEU A 78 6.311 6.317 -2.356 1.00 13.34 H new ATOM 0 HG LEU A 78 3.790 6.895 -0.765 1.00 50.23 H new ATOM 0 HD11 LEU A 78 2.615 6.025 -2.751 1.00 75.43 H new ATOM 0 HD12 LEU A 78 3.553 7.490 -3.131 1.00 75.43 H new ATOM 0 HD13 LEU A 78 4.170 5.890 -3.607 1.00 75.43 H new ATOM 0 HD21 LEU A 78 3.377 4.477 -0.969 1.00 41.30 H new ATOM 0 HD22 LEU A 78 4.958 4.276 -1.760 1.00 41.30 H new ATOM 0 HD23 LEU A 78 4.872 4.816 -0.066 1.00 41.30 H new ATOM 1262 N GLU A 79 8.051 8.810 -0.790 1.00 3.42 N ATOM 1263 CA GLU A 79 9.338 9.486 -0.990 1.00 73.33 C ATOM 1264 C GLU A 79 10.294 9.197 0.180 1.00 13.21 C ATOM 1265 O GLU A 79 11.512 9.139 0.003 1.00 23.01 O ATOM 1266 CB GLU A 79 9.127 11.001 -1.136 1.00 30.00 C ATOM 1267 CG GLU A 79 8.180 11.390 -2.270 1.00 22.01 C ATOM 1268 CD GLU A 79 7.994 12.896 -2.384 1.00 15.03 C ATOM 1269 OE1 GLU A 79 7.338 13.490 -1.500 1.00 44.24 O ATOM 1270 OE2 GLU A 79 8.507 13.496 -3.351 1.00 50.04 O ATOM 0 H GLU A 79 7.244 9.434 -0.799 1.00 3.42 H new ATOM 0 HA GLU A 79 9.787 9.101 -1.906 1.00 73.33 H new ATOM 0 HB2 GLU A 79 8.735 11.395 -0.198 1.00 30.00 H new ATOM 0 HB3 GLU A 79 10.093 11.478 -1.303 1.00 30.00 H new ATOM 0 HG2 GLU A 79 8.568 11.003 -3.212 1.00 22.01 H new ATOM 0 HG3 GLU A 79 7.211 10.919 -2.107 1.00 22.01 H new ATOM 1277 N ALA A 80 9.728 9.004 1.374 1.00 64.35 N ATOM 1278 CA ALA A 80 10.507 8.638 2.564 1.00 44.01 C ATOM 1279 C ALA A 80 11.023 7.190 2.475 1.00 20.04 C ATOM 1280 O ALA A 80 12.075 6.857 3.027 1.00 13.33 O ATOM 1281 CB ALA A 80 9.662 8.831 3.822 1.00 5.24 C ATOM 0 H ALA A 80 8.727 9.095 1.545 1.00 64.35 H new ATOM 0 HA ALA A 80 11.376 9.294 2.616 1.00 44.01 H new ATOM 0 HB1 ALA A 80 10.248 8.557 4.699 1.00 5.24 H new ATOM 0 HB2 ALA A 80 9.358 9.875 3.900 1.00 5.24 H new ATOM 0 HB3 ALA A 80 8.776 8.199 3.766 1.00 5.24 H new ATOM 1287 N GLU A 81 10.275 6.328 1.784 1.00 23.14 N ATOM 1288 CA GLU A 81 10.707 4.944 1.539 1.00 71.15 C ATOM 1289 C GLU A 81 11.702 4.874 0.368 1.00 51.34 C ATOM 1290 O GLU A 81 12.463 3.914 0.237 1.00 33.23 O ATOM 1291 CB GLU A 81 9.495 4.048 1.233 1.00 64.03 C ATOM 1292 CG GLU A 81 8.384 4.116 2.276 1.00 42.40 C ATOM 1293 CD GLU A 81 8.852 3.739 3.673 1.00 10.34 C ATOM 1294 OE1 GLU A 81 8.896 2.532 3.992 1.00 3.14 O ATOM 1295 OE2 GLU A 81 9.187 4.642 4.462 1.00 24.04 O ATOM 0 H GLU A 81 9.367 6.560 1.383 1.00 23.14 H new ATOM 0 HA GLU A 81 11.202 4.588 2.442 1.00 71.15 H new ATOM 0 HB2 GLU A 81 9.085 4.331 0.263 1.00 64.03 H new ATOM 0 HB3 GLU A 81 9.834 3.016 1.147 1.00 64.03 H new ATOM 0 HG2 GLU A 81 7.975 5.126 2.297 1.00 42.40 H new ATOM 0 HG3 GLU A 81 7.574 3.450 1.979 1.00 42.40 H new ATOM 1302 N GLY A 82 11.682 5.904 -0.477 1.00 54.11 N ATOM 1303 CA GLY A 82 12.540 5.942 -1.658 1.00 70.40 C ATOM 1304 C GLY A 82 11.805 5.559 -2.939 1.00 15.23 C ATOM 1305 O GLY A 82 12.424 5.157 -3.926 1.00 12.34 O ATOM 0 H GLY A 82 11.082 6.721 -0.365 1.00 54.11 H new ATOM 0 HA2 GLY A 82 12.953 6.945 -1.768 1.00 70.40 H new ATOM 0 HA3 GLY A 82 13.381 5.265 -1.512 1.00 70.40 H new ATOM 1309 N ILE A 83 10.483 5.711 -2.930 1.00 74.15 N ATOM 1310 CA ILE A 83 9.635 5.296 -4.056 1.00 41.45 C ATOM 1311 C ILE A 83 9.292 6.474 -4.989 1.00 41.02 C ATOM 1312 O ILE A 83 8.963 7.568 -4.531 1.00 65.45 O ATOM 1313 CB ILE A 83 8.325 4.658 -3.530 1.00 71.33 C ATOM 1314 CG1 ILE A 83 8.656 3.503 -2.569 1.00 63.13 C ATOM 1315 CG2 ILE A 83 7.450 4.171 -4.687 1.00 24.24 C ATOM 1316 CD1 ILE A 83 7.446 2.889 -1.900 1.00 34.41 C ATOM 0 H ILE A 83 9.968 6.121 -2.151 1.00 74.15 H new ATOM 0 HA ILE A 83 10.201 4.564 -4.633 1.00 41.45 H new ATOM 0 HB ILE A 83 7.761 5.416 -2.987 1.00 71.33 H new ATOM 0 HG12 ILE A 83 9.186 2.726 -3.121 1.00 63.13 H new ATOM 0 HG13 ILE A 83 9.337 3.868 -1.800 1.00 63.13 H new ATOM 0 HG21 ILE A 83 6.537 3.727 -4.291 1.00 24.24 H new ATOM 0 HG22 ILE A 83 7.195 5.013 -5.330 1.00 24.24 H new ATOM 0 HG23 ILE A 83 7.994 3.425 -5.266 1.00 24.24 H new ATOM 0 HD11 ILE A 83 7.765 2.083 -1.239 1.00 34.41 H new ATOM 0 HD12 ILE A 83 6.926 3.650 -1.318 1.00 34.41 H new ATOM 0 HD13 ILE A 83 6.773 2.491 -2.660 1.00 34.41 H new ATOM 1328 N GLU A 84 9.376 6.238 -6.299 1.00 3.14 N ATOM 1329 CA GLU A 84 9.039 7.258 -7.301 1.00 33.42 C ATOM 1330 C GLU A 84 7.517 7.436 -7.430 1.00 12.45 C ATOM 1331 O GLU A 84 6.772 6.458 -7.502 1.00 3.02 O ATOM 1332 CB GLU A 84 9.631 6.879 -8.667 1.00 62.22 C ATOM 1333 CG GLU A 84 9.303 7.870 -9.786 1.00 32.33 C ATOM 1334 CD GLU A 84 9.962 9.229 -9.595 1.00 44.03 C ATOM 1335 OE1 GLU A 84 9.523 9.997 -8.711 1.00 54.24 O ATOM 1336 OE2 GLU A 84 10.927 9.535 -10.325 1.00 75.31 O ATOM 0 H GLU A 84 9.675 5.347 -6.695 1.00 3.14 H new ATOM 0 HA GLU A 84 9.468 8.203 -6.968 1.00 33.42 H new ATOM 0 HB2 GLU A 84 10.714 6.800 -8.572 1.00 62.22 H new ATOM 0 HB3 GLU A 84 9.263 5.893 -8.950 1.00 62.22 H new ATOM 0 HG2 GLU A 84 9.622 7.450 -10.740 1.00 32.33 H new ATOM 0 HG3 GLU A 84 8.222 8.002 -9.841 1.00 32.33 H new ATOM 1343 N VAL A 85 7.066 8.690 -7.480 1.00 61.32 N ATOM 1344 CA VAL A 85 5.630 8.999 -7.562 1.00 71.42 C ATOM 1345 C VAL A 85 5.339 10.100 -8.601 1.00 33.52 C ATOM 1346 O VAL A 85 5.798 11.240 -8.462 1.00 73.34 O ATOM 1347 CB VAL A 85 5.065 9.455 -6.188 1.00 63.04 C ATOM 1348 CG1 VAL A 85 3.550 9.659 -6.264 1.00 0.40 C ATOM 1349 CG2 VAL A 85 5.421 8.456 -5.086 1.00 23.51 C ATOM 0 H VAL A 85 7.671 9.511 -7.465 1.00 61.32 H new ATOM 0 HA VAL A 85 5.139 8.076 -7.870 1.00 71.42 H new ATOM 0 HB VAL A 85 5.527 10.410 -5.938 1.00 63.04 H new ATOM 0 HG11 VAL A 85 3.177 9.978 -5.291 1.00 0.40 H new ATOM 0 HG12 VAL A 85 3.323 10.422 -7.008 1.00 0.40 H new ATOM 0 HG13 VAL A 85 3.070 8.722 -6.547 1.00 0.40 H new ATOM 0 HG21 VAL A 85 5.013 8.801 -4.136 1.00 23.51 H new ATOM 0 HG22 VAL A 85 5.000 7.481 -5.329 1.00 23.51 H new ATOM 0 HG23 VAL A 85 6.505 8.373 -5.006 1.00 23.51 H new ATOM 1359 N SER A 86 4.579 9.755 -9.640 1.00 61.12 N ATOM 1360 CA SER A 86 4.103 10.748 -10.616 1.00 21.54 C ATOM 1361 C SER A 86 3.074 11.686 -9.974 1.00 53.42 C ATOM 1362 O SER A 86 2.265 11.252 -9.148 1.00 33.14 O ATOM 1363 CB SER A 86 3.483 10.058 -11.839 1.00 72.24 C ATOM 1364 OG SER A 86 2.830 10.993 -12.684 1.00 24.43 O ATOM 0 H SER A 86 4.278 8.799 -9.832 1.00 61.12 H new ATOM 0 HA SER A 86 4.962 11.334 -10.942 1.00 21.54 H new ATOM 0 HB2 SER A 86 4.261 9.540 -12.400 1.00 72.24 H new ATOM 0 HB3 SER A 86 2.770 9.302 -11.510 1.00 72.24 H new ATOM 0 HG SER A 86 2.446 10.525 -13.455 1.00 24.43 H new ATOM 1370 N GLU A 87 3.097 12.961 -10.378 1.00 63.24 N ATOM 1371 CA GLU A 87 2.266 14.014 -9.757 1.00 44.55 C ATOM 1372 C GLU A 87 0.770 13.655 -9.733 1.00 22.41 C ATOM 1373 O GLU A 87 0.031 14.098 -8.853 1.00 10.53 O ATOM 1374 CB GLU A 87 2.462 15.346 -10.495 1.00 42.15 C ATOM 1375 CG GLU A 87 1.926 15.351 -11.924 1.00 52.41 C ATOM 1376 CD GLU A 87 2.146 16.677 -12.636 1.00 14.24 C ATOM 1377 OE1 GLU A 87 1.467 17.668 -12.289 1.00 64.31 O ATOM 1378 OE2 GLU A 87 2.993 16.735 -13.551 1.00 41.50 O ATOM 0 H GLU A 87 3.686 13.297 -11.140 1.00 63.24 H new ATOM 0 HA GLU A 87 2.596 14.105 -8.722 1.00 44.55 H new ATOM 0 HB2 GLU A 87 1.969 16.138 -9.931 1.00 42.15 H new ATOM 0 HB3 GLU A 87 3.525 15.584 -10.516 1.00 42.15 H new ATOM 0 HG2 GLU A 87 2.410 14.556 -12.491 1.00 52.41 H new ATOM 0 HG3 GLU A 87 0.860 15.126 -11.907 1.00 52.41 H new ATOM 1385 N ILE A 88 0.327 12.856 -10.700 1.00 2.21 N ATOM 1386 CA ILE A 88 -1.080 12.432 -10.771 1.00 44.21 C ATOM 1387 C ILE A 88 -1.372 11.258 -9.817 1.00 63.52 C ATOM 1388 O ILE A 88 -2.448 10.656 -9.864 1.00 22.33 O ATOM 1389 CB ILE A 88 -1.467 12.032 -12.217 1.00 13.11 C ATOM 1390 CG1 ILE A 88 -0.581 10.876 -12.717 1.00 74.14 C ATOM 1391 CG2 ILE A 88 -1.362 13.241 -13.148 1.00 21.51 C ATOM 1392 CD1 ILE A 88 -0.905 10.412 -14.124 1.00 13.41 C ATOM 0 H ILE A 88 0.916 12.487 -11.447 1.00 2.21 H new ATOM 0 HA ILE A 88 -1.683 13.286 -10.461 1.00 44.21 H new ATOM 0 HB ILE A 88 -2.501 11.687 -12.217 1.00 13.11 H new ATOM 0 HG12 ILE A 88 0.462 11.190 -12.681 1.00 74.14 H new ATOM 0 HG13 ILE A 88 -0.684 10.032 -12.035 1.00 74.14 H new ATOM 0 HG21 ILE A 88 -1.637 12.945 -14.161 1.00 21.51 H new ATOM 0 HG22 ILE A 88 -2.036 14.025 -12.803 1.00 21.51 H new ATOM 0 HG23 ILE A 88 -0.338 13.615 -13.144 1.00 21.51 H new ATOM 0 HD11 ILE A 88 -0.237 9.596 -14.401 1.00 13.41 H new ATOM 0 HD12 ILE A 88 -1.938 10.065 -14.164 1.00 13.41 H new ATOM 0 HD13 ILE A 88 -0.774 11.241 -14.820 1.00 13.41 H new ATOM 1404 N GLY A 89 -0.413 10.955 -8.944 1.00 74.54 N ATOM 1405 CA GLY A 89 -0.546 9.834 -8.024 1.00 40.40 C ATOM 1406 C GLY A 89 -0.359 8.488 -8.713 1.00 3.22 C ATOM 1407 O GLY A 89 -1.195 7.597 -8.585 1.00 24.14 O ATOM 0 H GLY A 89 0.462 11.471 -8.857 1.00 74.54 H new ATOM 0 HA2 GLY A 89 0.189 9.935 -7.225 1.00 40.40 H new ATOM 0 HA3 GLY A 89 -1.531 9.866 -7.557 1.00 40.40 H new ATOM 1411 N LYS A 90 0.745 8.338 -9.447 1.00 30.41 N ATOM 1412 CA LYS A 90 0.997 7.107 -10.217 1.00 45.30 C ATOM 1413 C LYS A 90 2.366 6.491 -9.875 1.00 71.13 C ATOM 1414 O LYS A 90 3.390 7.175 -9.901 1.00 62.01 O ATOM 1415 CB LYS A 90 0.895 7.409 -11.720 1.00 61.23 C ATOM 1416 CG LYS A 90 1.016 6.182 -12.622 1.00 54.33 C ATOM 1417 CD LYS A 90 0.680 6.516 -14.076 1.00 21.24 C ATOM 1418 CE LYS A 90 1.657 7.519 -14.681 1.00 4.30 C ATOM 1419 NZ LYS A 90 3.021 6.950 -14.832 1.00 72.11 N ATOM 0 H LYS A 90 1.477 9.044 -9.528 1.00 30.41 H new ATOM 0 HA LYS A 90 0.239 6.372 -9.945 1.00 45.30 H new ATOM 0 HB2 LYS A 90 -0.060 7.896 -11.916 1.00 61.23 H new ATOM 0 HB3 LYS A 90 1.676 8.120 -11.989 1.00 61.23 H new ATOM 0 HG2 LYS A 90 2.030 5.786 -12.564 1.00 54.33 H new ATOM 0 HG3 LYS A 90 0.347 5.399 -12.264 1.00 54.33 H new ATOM 0 HD2 LYS A 90 0.689 5.601 -14.668 1.00 21.24 H new ATOM 0 HD3 LYS A 90 -0.331 6.920 -14.129 1.00 21.24 H new ATOM 0 HE2 LYS A 90 1.289 7.840 -15.655 1.00 4.30 H new ATOM 0 HE3 LYS A 90 1.703 8.406 -14.049 1.00 4.30 H new ATOM 0 HZ1 LYS A 90 3.621 7.621 -15.353 1.00 72.11 H new ATOM 0 HZ2 LYS A 90 3.431 6.777 -13.892 1.00 72.11 H new ATOM 0 HZ3 LYS A 90 2.967 6.054 -15.357 1.00 72.11 H new ATOM 1433 N ILE A 91 2.367 5.194 -9.561 1.00 62.12 N ATOM 1434 CA ILE A 91 3.578 4.479 -9.126 1.00 64.14 C ATOM 1435 C ILE A 91 3.934 3.330 -10.090 1.00 24.32 C ATOM 1436 O ILE A 91 3.050 2.699 -10.675 1.00 61.32 O ATOM 1437 CB ILE A 91 3.379 3.890 -7.704 1.00 75.54 C ATOM 1438 CG1 ILE A 91 2.874 4.975 -6.735 1.00 40.33 C ATOM 1439 CG2 ILE A 91 4.676 3.266 -7.184 1.00 24.21 C ATOM 1440 CD1 ILE A 91 2.518 4.447 -5.361 1.00 3.22 C ATOM 0 H ILE A 91 1.533 4.607 -9.599 1.00 62.12 H new ATOM 0 HA ILE A 91 4.393 5.203 -9.121 1.00 64.14 H new ATOM 0 HB ILE A 91 2.626 3.104 -7.765 1.00 75.54 H new ATOM 0 HG12 ILE A 91 3.641 5.743 -6.632 1.00 40.33 H new ATOM 0 HG13 ILE A 91 1.997 5.456 -7.168 1.00 40.33 H new ATOM 0 HG21 ILE A 91 4.510 2.860 -6.186 1.00 24.21 H new ATOM 0 HG22 ILE A 91 4.988 2.465 -7.854 1.00 24.21 H new ATOM 0 HG23 ILE A 91 5.455 4.028 -7.141 1.00 24.21 H new ATOM 0 HD11 ILE A 91 2.171 5.268 -4.734 1.00 3.22 H new ATOM 0 HD12 ILE A 91 1.729 3.701 -5.451 1.00 3.22 H new ATOM 0 HD13 ILE A 91 3.398 3.991 -4.907 1.00 3.22 H new ATOM 1452 N ALA A 92 5.229 3.051 -10.245 1.00 61.43 N ATOM 1453 CA ALA A 92 5.686 1.965 -11.120 1.00 41.25 C ATOM 1454 C ALA A 92 5.752 0.615 -10.376 1.00 3.40 C ATOM 1455 O ALA A 92 6.766 0.277 -9.759 1.00 22.23 O ATOM 1456 CB ALA A 92 7.045 2.317 -11.719 1.00 12.22 C ATOM 0 H ALA A 92 5.980 3.559 -9.778 1.00 61.43 H new ATOM 0 HA ALA A 92 4.958 1.853 -11.923 1.00 41.25 H new ATOM 0 HB1 ALA A 92 7.378 1.506 -12.367 1.00 12.22 H new ATOM 0 HB2 ALA A 92 6.960 3.235 -12.301 1.00 12.22 H new ATOM 0 HB3 ALA A 92 7.769 2.461 -10.918 1.00 12.22 H new ATOM 1462 N LEU A 93 4.667 -0.158 -10.451 1.00 33.34 N ATOM 1463 CA LEU A 93 4.578 -1.455 -9.754 1.00 1.15 C ATOM 1464 C LEU A 93 5.631 -2.459 -10.247 1.00 51.33 C ATOM 1465 O LEU A 93 6.251 -3.164 -9.454 1.00 15.11 O ATOM 1466 CB LEU A 93 3.179 -2.069 -9.940 1.00 43.24 C ATOM 1467 CG LEU A 93 2.017 -1.297 -9.299 1.00 24.12 C ATOM 1468 CD1 LEU A 93 0.687 -1.994 -9.583 1.00 43.44 C ATOM 1469 CD2 LEU A 93 2.236 -1.143 -7.797 1.00 71.45 C ATOM 0 H LEU A 93 3.834 0.087 -10.986 1.00 33.34 H new ATOM 0 HA LEU A 93 4.766 -1.255 -8.699 1.00 1.15 H new ATOM 0 HB2 LEU A 93 2.983 -2.161 -11.008 1.00 43.24 H new ATOM 0 HB3 LEU A 93 3.189 -3.079 -9.530 1.00 43.24 H new ATOM 0 HG LEU A 93 1.982 -0.301 -9.741 1.00 24.12 H new ATOM 0 HD11 LEU A 93 -0.124 -1.432 -9.121 1.00 43.44 H new ATOM 0 HD12 LEU A 93 0.526 -2.045 -10.660 1.00 43.44 H new ATOM 0 HD13 LEU A 93 0.710 -3.003 -9.171 1.00 43.44 H new ATOM 0 HD21 LEU A 93 1.401 -0.593 -7.362 1.00 71.45 H new ATOM 0 HD22 LEU A 93 2.301 -2.129 -7.336 1.00 71.45 H new ATOM 0 HD23 LEU A 93 3.162 -0.597 -7.618 1.00 71.45 H new ATOM 1481 N ARG A 94 5.833 -2.499 -11.561 1.00 34.33 N ATOM 1482 CA ARG A 94 6.663 -3.529 -12.202 1.00 45.43 C ATOM 1483 C ARG A 94 8.096 -3.589 -11.637 1.00 70.31 C ATOM 1484 O ARG A 94 8.713 -4.653 -11.621 1.00 71.23 O ATOM 1485 CB ARG A 94 6.694 -3.297 -13.719 1.00 24.15 C ATOM 1486 CG ARG A 94 5.304 -3.224 -14.347 1.00 34.23 C ATOM 1487 CD ARG A 94 5.365 -2.971 -15.850 1.00 23.24 C ATOM 1488 NE ARG A 94 6.049 -4.049 -16.560 1.00 4.44 N ATOM 1489 CZ ARG A 94 5.506 -4.765 -17.504 1.00 0.22 C ATOM 1490 NH1 ARG A 94 4.275 -4.573 -17.854 1.00 12.54 N ATOM 1491 NH2 ARG A 94 6.197 -5.684 -18.086 1.00 34.23 N ATOM 0 H ARG A 94 5.431 -1.825 -12.213 1.00 34.33 H new ATOM 0 HA ARG A 94 6.206 -4.494 -11.982 1.00 45.43 H new ATOM 0 HB2 ARG A 94 7.228 -2.370 -13.927 1.00 24.15 H new ATOM 0 HB3 ARG A 94 7.257 -4.102 -14.191 1.00 24.15 H new ATOM 0 HG2 ARG A 94 4.772 -4.157 -14.158 1.00 34.23 H new ATOM 0 HG3 ARG A 94 4.732 -2.429 -13.869 1.00 34.23 H new ATOM 0 HD2 ARG A 94 4.353 -2.865 -16.241 1.00 23.24 H new ATOM 0 HD3 ARG A 94 5.880 -2.029 -16.038 1.00 23.24 H new ATOM 0 HE ARG A 94 7.014 -4.255 -16.300 1.00 4.44 H new ATOM 0 HH11 ARG A 94 3.719 -3.855 -17.390 1.00 12.54 H new ATOM 0 HH12 ARG A 94 3.861 -5.140 -18.594 1.00 12.54 H new ATOM 0 HH21 ARG A 94 7.164 -5.848 -17.807 1.00 34.23 H new ATOM 0 HH22 ARG A 94 5.777 -6.247 -18.825 1.00 34.23 H new ATOM 1505 N LYS A 95 8.626 -2.455 -11.177 1.00 52.04 N ATOM 1506 CA LYS A 95 9.965 -2.434 -10.562 1.00 64.34 C ATOM 1507 C LYS A 95 9.901 -2.446 -9.021 1.00 64.52 C ATOM 1508 O LYS A 95 10.782 -3.007 -8.365 1.00 0.42 O ATOM 1509 CB LYS A 95 10.774 -1.225 -11.052 1.00 62.34 C ATOM 1510 CG LYS A 95 10.124 0.127 -10.774 1.00 11.13 C ATOM 1511 CD LYS A 95 11.052 1.280 -11.155 1.00 25.41 C ATOM 1512 CE LYS A 95 11.457 1.228 -12.626 1.00 11.51 C ATOM 1513 NZ LYS A 95 12.505 2.229 -12.948 1.00 14.41 N ATOM 0 H LYS A 95 8.161 -1.548 -11.215 1.00 52.04 H new ATOM 0 HA LYS A 95 10.470 -3.348 -10.875 1.00 64.34 H new ATOM 0 HB2 LYS A 95 11.756 -1.246 -10.580 1.00 62.34 H new ATOM 0 HB3 LYS A 95 10.935 -1.323 -12.126 1.00 62.34 H new ATOM 0 HG2 LYS A 95 9.193 0.207 -11.335 1.00 11.13 H new ATOM 0 HG3 LYS A 95 9.867 0.199 -9.717 1.00 11.13 H new ATOM 0 HD2 LYS A 95 10.555 2.228 -10.949 1.00 25.41 H new ATOM 0 HD3 LYS A 95 11.946 1.247 -10.532 1.00 25.41 H new ATOM 0 HE2 LYS A 95 11.822 0.230 -12.867 1.00 11.51 H new ATOM 0 HE3 LYS A 95 10.581 1.406 -13.250 1.00 11.51 H new ATOM 0 HZ1 LYS A 95 12.752 2.161 -13.956 1.00 14.41 H new ATOM 0 HZ2 LYS A 95 12.148 3.184 -12.743 1.00 14.41 H new ATOM 0 HZ3 LYS A 95 13.350 2.044 -12.371 1.00 14.41 H new ATOM 1527 N TYR A 96 8.867 -1.832 -8.443 1.00 45.22 N ATOM 1528 CA TYR A 96 8.698 -1.820 -6.979 1.00 64.11 C ATOM 1529 C TYR A 96 7.905 -3.044 -6.482 1.00 31.13 C ATOM 1530 O TYR A 96 7.487 -3.093 -5.325 1.00 0.12 O ATOM 1531 CB TYR A 96 7.998 -0.529 -6.528 1.00 14.51 C ATOM 1532 CG TYR A 96 8.826 0.730 -6.725 1.00 54.32 C ATOM 1533 CD1 TYR A 96 9.944 0.982 -5.932 1.00 34.01 C ATOM 1534 CD2 TYR A 96 8.489 1.669 -7.696 1.00 65.21 C ATOM 1535 CE1 TYR A 96 10.695 2.131 -6.102 1.00 71.13 C ATOM 1536 CE2 TYR A 96 9.237 2.816 -7.872 1.00 35.41 C ATOM 1537 CZ TYR A 96 10.339 3.043 -7.075 1.00 1.21 C ATOM 1538 OH TYR A 96 11.077 4.196 -7.244 1.00 11.53 O ATOM 0 H TYR A 96 8.137 -1.339 -8.957 1.00 45.22 H new ATOM 0 HA TYR A 96 9.695 -1.864 -6.540 1.00 64.11 H new ATOM 0 HB2 TYR A 96 7.063 -0.425 -7.078 1.00 14.51 H new ATOM 0 HB3 TYR A 96 7.739 -0.619 -5.473 1.00 14.51 H new ATOM 0 HD1 TYR A 96 10.229 0.269 -5.173 1.00 34.01 H new ATOM 0 HD2 TYR A 96 7.627 1.497 -8.323 1.00 65.21 H new ATOM 0 HE1 TYR A 96 11.556 2.314 -5.476 1.00 71.13 H new ATOM 0 HE2 TYR A 96 8.960 3.533 -8.631 1.00 35.41 H new ATOM 0 HH TYR A 96 11.028 4.481 -8.180 1.00 11.53 H new ATOM 1548 N LYS A 97 7.712 -4.027 -7.355 1.00 1.52 N ATOM 1549 CA LYS A 97 6.957 -5.239 -7.013 1.00 73.13 C ATOM 1550 C LYS A 97 7.649 -6.070 -5.916 1.00 33.34 C ATOM 1551 O LYS A 97 8.822 -6.431 -6.034 1.00 21.03 O ATOM 1552 CB LYS A 97 6.744 -6.101 -8.271 1.00 61.22 C ATOM 1553 CG LYS A 97 8.040 -6.563 -8.943 1.00 31.20 C ATOM 1554 CD LYS A 97 7.767 -7.402 -10.191 1.00 23.52 C ATOM 1555 CE LYS A 97 9.054 -7.935 -10.815 1.00 4.41 C ATOM 1556 NZ LYS A 97 9.981 -6.844 -11.227 1.00 25.42 N ATOM 0 H LYS A 97 8.068 -4.013 -8.311 1.00 1.52 H new ATOM 0 HA LYS A 97 5.993 -4.919 -6.618 1.00 73.13 H new ATOM 0 HB2 LYS A 97 6.155 -6.978 -8.001 1.00 61.22 H new ATOM 0 HB3 LYS A 97 6.157 -5.532 -8.992 1.00 61.22 H new ATOM 0 HG2 LYS A 97 8.638 -5.693 -9.214 1.00 31.20 H new ATOM 0 HG3 LYS A 97 8.628 -7.147 -8.235 1.00 31.20 H new ATOM 0 HD2 LYS A 97 7.117 -8.238 -9.931 1.00 23.52 H new ATOM 0 HD3 LYS A 97 7.232 -6.798 -10.924 1.00 23.52 H new ATOM 0 HE2 LYS A 97 9.558 -8.586 -10.101 1.00 4.41 H new ATOM 0 HE3 LYS A 97 8.807 -8.546 -11.684 1.00 4.41 H new ATOM 0 HZ1 LYS A 97 10.315 -7.019 -12.196 1.00 25.42 H new ATOM 0 HZ2 LYS A 97 9.481 -5.932 -11.192 1.00 25.42 H new ATOM 0 HZ3 LYS A 97 10.795 -6.817 -10.580 1.00 25.42 H new ATOM 1570 N TRP A 98 6.914 -6.360 -4.844 1.00 43.42 N ATOM 1571 CA TRP A 98 7.398 -7.259 -3.792 1.00 33.13 C ATOM 1572 C TRP A 98 7.120 -8.724 -4.165 1.00 63.23 C ATOM 1573 O TRP A 98 6.038 -9.056 -4.648 1.00 54.54 O ATOM 1574 CB TRP A 98 6.731 -6.915 -2.450 1.00 54.53 C ATOM 1575 CG TRP A 98 7.079 -7.863 -1.337 1.00 52.10 C ATOM 1576 CD1 TRP A 98 8.325 -8.304 -0.996 1.00 20.13 C ATOM 1577 CD2 TRP A 98 6.170 -8.485 -0.419 1.00 74.02 C ATOM 1578 NE1 TRP A 98 8.245 -9.158 0.076 1.00 32.20 N ATOM 1579 CE2 TRP A 98 6.935 -9.288 0.446 1.00 62.20 C ATOM 1580 CE3 TRP A 98 4.784 -8.444 -0.249 1.00 34.53 C ATOM 1581 CZ2 TRP A 98 6.360 -10.039 1.470 1.00 4.32 C ATOM 1582 CZ3 TRP A 98 4.215 -9.189 0.768 1.00 11.21 C ATOM 1583 CH2 TRP A 98 5.000 -9.978 1.615 1.00 23.53 C ATOM 0 H TRP A 98 5.980 -5.986 -4.679 1.00 43.42 H new ATOM 0 HA TRP A 98 8.475 -7.127 -3.692 1.00 33.13 H new ATOM 0 HB2 TRP A 98 7.022 -5.906 -2.159 1.00 54.53 H new ATOM 0 HB3 TRP A 98 5.649 -6.909 -2.584 1.00 54.53 H new ATOM 0 HD1 TRP A 98 9.240 -8.022 -1.496 1.00 20.13 H new ATOM 0 HE1 TRP A 98 9.036 -9.621 0.524 1.00 32.20 H new ATOM 0 HE3 TRP A 98 4.168 -7.841 -0.900 1.00 34.53 H new ATOM 0 HZ2 TRP A 98 6.966 -10.647 2.125 1.00 4.32 H new ATOM 0 HZ3 TRP A 98 3.145 -9.161 0.911 1.00 11.21 H new ATOM 0 HH2 TRP A 98 4.524 -10.550 2.398 1.00 23.53 H new ATOM 1594 N GLN A 99 8.098 -9.598 -3.938 1.00 3.22 N ATOM 1595 CA GLN A 99 7.962 -11.015 -4.292 1.00 30.43 C ATOM 1596 C GLN A 99 8.117 -11.933 -3.071 1.00 45.10 C ATOM 1597 O GLN A 99 9.237 -12.221 -2.640 1.00 14.42 O ATOM 1598 CB GLN A 99 8.995 -11.401 -5.363 1.00 43.35 C ATOM 1599 CG GLN A 99 8.798 -10.681 -6.693 1.00 50.31 C ATOM 1600 CD GLN A 99 7.465 -11.008 -7.353 1.00 61.51 C ATOM 1601 OE1 GLN A 99 6.933 -12.108 -7.210 1.00 11.10 O ATOM 1602 NE2 GLN A 99 6.913 -10.053 -8.072 1.00 74.23 N ATOM 0 H GLN A 99 8.992 -9.354 -3.512 1.00 3.22 H new ATOM 0 HA GLN A 99 6.955 -11.151 -4.687 1.00 30.43 H new ATOM 0 HB2 GLN A 99 9.994 -11.183 -4.986 1.00 43.35 H new ATOM 0 HB3 GLN A 99 8.946 -12.477 -5.532 1.00 43.35 H new ATOM 0 HG2 GLN A 99 8.863 -9.605 -6.531 1.00 50.31 H new ATOM 0 HG3 GLN A 99 9.609 -10.951 -7.370 1.00 50.31 H new ATOM 0 HE21 GLN A 99 7.382 -9.152 -8.170 1.00 74.23 H new ATOM 0 HE22 GLN A 99 6.017 -10.214 -8.531 1.00 74.23 H new ATOM 1611 N PRO A 100 6.996 -12.397 -2.482 1.00 0.50 N ATOM 1612 CA PRO A 100 7.028 -13.442 -1.443 1.00 73.20 C ATOM 1613 C PRO A 100 7.631 -14.750 -1.988 1.00 42.34 C ATOM 1614 O PRO A 100 8.176 -15.569 -1.245 1.00 41.10 O ATOM 1615 CB PRO A 100 5.546 -13.633 -1.073 1.00 71.31 C ATOM 1616 CG PRO A 100 4.867 -12.384 -1.533 1.00 55.51 C ATOM 1617 CD PRO A 100 5.624 -11.924 -2.749 1.00 43.33 C ATOM 0 HA PRO A 100 7.647 -13.166 -0.589 1.00 73.20 H new ATOM 0 HB2 PRO A 100 5.128 -14.513 -1.562 1.00 71.31 H new ATOM 0 HB3 PRO A 100 5.423 -13.776 0.000 1.00 71.31 H new ATOM 0 HG2 PRO A 100 3.821 -12.574 -1.774 1.00 55.51 H new ATOM 0 HG3 PRO A 100 4.881 -11.622 -0.753 1.00 55.51 H new ATOM 0 HD2 PRO A 100 5.219 -12.356 -3.664 1.00 43.33 H new ATOM 0 HD3 PRO A 100 5.585 -10.841 -2.863 1.00 43.33 H new