USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 698 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 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 84 LYS NZ :NH3+ 162:sc= 1.17 (180deg=0) USER MOD Set 2.2: A 88 GLN : amide:sc= 1.11 K(o=2.3,f=-8.4!) USER MOD Set 3.1: A 31 HIS :FLIP no HD1:sc= -0.41 F(o=-1.4,f=-0.41) USER MOD Set 3.2: A 34 MET CE :methyl 149:sc= 0 (180deg=-1.28) USER MOD Set 3.3: A 35 HIS :FLIP no HD1:sc= 0 F(o=-1.2,f=-0.41) USER MOD Set 4.1: A 30 ASN : amide:sc= 0 K(o=3.1,f=1.9) USER MOD Set 4.2: A 33 GLN : amide:sc= 0.816 K(o=3.1,f=-5.3!) USER MOD Set 4.3: A 81 GLN : amide:sc= 2.32 K(o=3.1,f=-0.68) USER MOD Single : A 4 THR OG1 : rot 150:sc= 0.873 USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0858) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.559 K(o=-0.56,f=-7.5!) USER MOD Single : A 28 GLN : amide:sc= -2.08 K(o=-2.1,f=-5.7!) USER MOD Single : A 37 THR OG1 : rot -80:sc= 0.675 USER MOD Single : A 38 SER OG : rot -70:sc= 0.564 USER MOD Single : A 55 HIS : no HD1:sc= -0.589 X(o=-0.59,f=-0.84) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.434 K(o=0.43,f=-4!) USER MOD Single : A 64 GLN : amide:sc= -0.786 X(o=-0.79,f=-1.3) USER MOD Single : A 68 LYS NZ :NH3+ 171:sc=-0.00469 (180deg=-0.103) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -2.66 K(o=-2.7,f=-6.1!) USER MOD Single : A 76 LYS NZ :NH3+ 147:sc= 1.04 (180deg=0.618) USER MOD Single : A 77 GLN : amide:sc= -1.28! C(o=-1.3!,f=-4.8!) USER MOD Single : A 83 GLN : amide:sc= -1.77 K(o=-1.8,f=-5.6!) USER MOD Single : A 85 GLN : amide:sc= -0.278 K(o=-0.28,f=-3.5!) USER MOD Single : A 87 GLN : amide:sc= -0.0305 K(o=-0.031,f=-1.1) USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 93 GLN :FLIP amide:sc= -1.28 F(o=-2.1!,f=-1.3) USER MOD Single : A 94 GLN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc=-0.00455 K(o=-0.0046,f=-1.1) USER MOD Single : A 99 MET CE :methyl 176:sc= 0 (180deg=-0.0332) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 108 ASN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 109 GLN : amide:sc= -0.0054 X(o=-0.0054,f=-0.0054) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0.056) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 8.752 -20.478 6.463 1.00 0.00 N ATOM 35 CA CYS A 3 9.926 -21.005 5.860 1.00 0.00 C ATOM 36 C CYS A 3 9.554 -22.213 5.018 1.00 0.00 C ATOM 37 O CYS A 3 8.591 -22.927 5.342 1.00 0.00 O ATOM 38 CB CYS A 3 10.922 -21.410 6.954 1.00 0.00 C ATOM 39 SG CYS A 3 11.113 -20.233 8.388 1.00 0.00 S ATOM 0 HA CYS A 3 10.388 -20.251 5.222 1.00 0.00 H new ATOM 0 HB2 CYS A 3 10.619 -22.380 7.348 1.00 0.00 H new ATOM 0 HB3 CYS A 3 11.900 -21.545 6.491 1.00 0.00 H new ATOM 44 N THR A 4 10.258 -22.406 3.927 1.00 0.00 N ATOM 45 CA THR A 4 10.040 -23.534 3.058 1.00 0.00 C ATOM 46 C THR A 4 10.584 -24.808 3.708 1.00 0.00 C ATOM 47 O THR A 4 11.467 -24.747 4.595 1.00 0.00 O ATOM 48 CB THR A 4 10.744 -23.316 1.692 1.00 0.00 C ATOM 49 OG1 THR A 4 12.157 -23.108 1.887 1.00 0.00 O ATOM 50 CG2 THR A 4 10.167 -22.113 0.961 1.00 0.00 C ATOM 0 H THR A 4 11.002 -21.780 3.618 1.00 0.00 H new ATOM 0 HA THR A 4 8.967 -23.636 2.893 1.00 0.00 H new ATOM 0 HB THR A 4 10.578 -24.210 1.090 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.647 -23.440 1.106 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.680 -21.986 0.008 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.104 -22.272 0.782 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.303 -21.218 1.569 1.00 0.00 H new ATOM 58 N LYS A 5 10.064 -25.943 3.308 1.00 0.00 N ATOM 59 CA LYS A 5 10.539 -27.213 3.797 1.00 0.00 C ATOM 60 C LYS A 5 11.753 -27.642 2.980 1.00 0.00 C ATOM 61 O LYS A 5 11.671 -28.550 2.143 1.00 0.00 O ATOM 62 CB LYS A 5 9.450 -28.288 3.692 1.00 0.00 C ATOM 63 CG LYS A 5 8.133 -27.949 4.371 1.00 0.00 C ATOM 64 CD LYS A 5 8.301 -27.678 5.849 1.00 0.00 C ATOM 65 CE LYS A 5 6.951 -27.489 6.525 1.00 0.00 C ATOM 66 NZ LYS A 5 6.207 -26.321 5.992 1.00 0.00 N ATOM 0 H LYS A 5 9.301 -26.012 2.635 1.00 0.00 H new ATOM 0 HA LYS A 5 10.810 -27.100 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.256 -28.483 2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.834 -29.213 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.694 -27.074 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.433 -28.773 4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.833 -28.507 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.911 -26.786 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.352 -28.390 6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.100 -27.362 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.361 -26.154 6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.817 -25.479 6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.921 -26.510 5.010 1.00 0.00 H new ATOM 80 N SER A 6 12.840 -26.951 3.168 1.00 0.00 N ATOM 81 CA SER A 6 14.036 -27.230 2.457 1.00 0.00 C ATOM 82 C SER A 6 15.205 -26.776 3.309 1.00 0.00 C ATOM 83 O SER A 6 15.006 -26.052 4.281 1.00 0.00 O ATOM 84 CB SER A 6 14.002 -26.485 1.116 1.00 0.00 C ATOM 85 OG SER A 6 15.052 -26.888 0.265 1.00 0.00 O ATOM 0 H SER A 6 12.913 -26.174 3.825 1.00 0.00 H new ATOM 0 HA SER A 6 14.138 -28.296 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.046 -26.666 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.071 -25.412 1.295 1.00 0.00 H new ATOM 0 HG SER A 6 14.997 -26.394 -0.579 1.00 0.00 H new ATOM 91 N ILE A 7 16.379 -27.238 2.993 1.00 0.00 N ATOM 92 CA ILE A 7 17.594 -26.872 3.700 1.00 0.00 C ATOM 93 C ILE A 7 18.645 -26.424 2.688 1.00 0.00 C ATOM 94 O ILE A 7 19.011 -27.199 1.804 1.00 0.00 O ATOM 95 CB ILE A 7 18.137 -28.048 4.572 1.00 0.00 C ATOM 96 CG1 ILE A 7 17.115 -28.408 5.659 1.00 0.00 C ATOM 97 CG2 ILE A 7 19.481 -27.687 5.200 1.00 0.00 C ATOM 98 CD1 ILE A 7 17.504 -29.578 6.529 1.00 0.00 C ATOM 0 H ILE A 7 16.533 -27.892 2.225 1.00 0.00 H new ATOM 0 HA ILE A 7 17.364 -26.053 4.381 1.00 0.00 H new ATOM 0 HB ILE A 7 18.290 -28.914 3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.959 -27.536 6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 7 16.160 -28.629 5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.837 -28.523 5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 7 20.204 -27.472 4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.362 -26.808 5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 7 16.722 -29.758 7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 7 17.630 -30.466 5.910 1.00 0.00 H new ATOM 0 HD13 ILE A 7 18.441 -29.356 7.040 1.00 0.00 H new ATOM 110 N PRO A 8 19.124 -25.167 2.762 1.00 0.00 N ATOM 111 CA PRO A 8 18.675 -24.171 3.756 1.00 0.00 C ATOM 112 C PRO A 8 17.228 -23.723 3.522 1.00 0.00 C ATOM 113 O PRO A 8 16.770 -23.650 2.366 1.00 0.00 O ATOM 114 CB PRO A 8 19.626 -22.996 3.537 1.00 0.00 C ATOM 115 CG PRO A 8 20.107 -23.148 2.139 1.00 0.00 C ATOM 116 CD PRO A 8 20.171 -24.622 1.885 1.00 0.00 C ATOM 0 HA PRO A 8 18.693 -24.575 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 8 19.116 -22.043 3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 8 20.455 -23.021 4.245 1.00 0.00 H new ATOM 0 HG2 PRO A 8 19.430 -22.660 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 8 21.086 -22.687 2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 8 19.980 -24.858 0.838 1.00 0.00 H new ATOM 0 HD3 PRO A 8 21.152 -25.029 2.130 1.00 0.00 H new ATOM 124 N PRO A 9 16.479 -23.469 4.600 1.00 0.00 N ATOM 125 CA PRO A 9 15.097 -23.042 4.495 1.00 0.00 C ATOM 126 C PRO A 9 14.994 -21.625 3.984 1.00 0.00 C ATOM 127 O PRO A 9 15.713 -20.729 4.438 1.00 0.00 O ATOM 128 CB PRO A 9 14.570 -23.133 5.929 1.00 0.00 C ATOM 129 CG PRO A 9 15.777 -22.986 6.784 1.00 0.00 C ATOM 130 CD PRO A 9 16.914 -23.592 6.011 1.00 0.00 C ATOM 0 HA PRO A 9 14.531 -23.654 3.793 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.842 -22.348 6.134 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.071 -24.086 6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 9 15.972 -21.937 7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.642 -23.493 7.739 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.849 -23.061 6.190 1.00 0.00 H new ATOM 0 HD3 PRO A 9 17.080 -24.632 6.290 1.00 0.00 H new ATOM 138 N ILE A 10 14.124 -21.424 3.047 1.00 0.00 N ATOM 139 CA ILE A 10 13.899 -20.121 2.504 1.00 0.00 C ATOM 140 C ILE A 10 12.790 -19.561 3.325 1.00 0.00 C ATOM 141 O ILE A 10 11.690 -20.108 3.322 1.00 0.00 O ATOM 142 CB ILE A 10 13.461 -20.189 1.020 1.00 0.00 C ATOM 143 CG1 ILE A 10 14.422 -21.083 0.209 1.00 0.00 C ATOM 144 CG2 ILE A 10 13.379 -18.787 0.419 1.00 0.00 C ATOM 145 CD1 ILE A 10 15.866 -20.630 0.219 1.00 0.00 C ATOM 0 H ILE A 10 13.548 -22.159 2.636 1.00 0.00 H new ATOM 0 HA ILE A 10 14.806 -19.517 2.532 1.00 0.00 H new ATOM 0 HB ILE A 10 12.467 -20.635 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.371 -22.098 0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.075 -21.123 -0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.070 -18.856 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.652 -18.195 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.357 -18.309 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 10 16.467 -21.318 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 10 15.936 -19.628 -0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.236 -20.618 1.244 1.00 0.00 H new ATOM 157 N CYS A 11 13.057 -18.558 4.074 1.00 0.00 N ATOM 158 CA CYS A 11 12.075 -18.107 4.980 1.00 0.00 C ATOM 159 C CYS A 11 11.736 -16.662 4.763 1.00 0.00 C ATOM 160 O CYS A 11 12.613 -15.822 4.532 1.00 0.00 O ATOM 161 CB CYS A 11 12.520 -18.405 6.411 1.00 0.00 C ATOM 162 SG CYS A 11 11.207 -18.325 7.649 1.00 0.00 S ATOM 0 H CYS A 11 13.936 -18.040 4.078 1.00 0.00 H new ATOM 0 HA CYS A 11 11.149 -18.652 4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.964 -19.400 6.438 1.00 0.00 H new ATOM 0 HB3 CYS A 11 13.303 -17.699 6.687 1.00 0.00 H new ATOM 310 N CYS A 22 2.755 -9.506 -1.831 1.00 0.00 N ATOM 311 CA CYS A 22 4.035 -9.116 -1.370 1.00 0.00 C ATOM 312 C CYS A 22 3.882 -8.313 -0.102 1.00 0.00 C ATOM 313 O CYS A 22 3.023 -7.409 -0.030 1.00 0.00 O ATOM 314 CB CYS A 22 4.738 -8.290 -2.424 1.00 0.00 C ATOM 315 SG CYS A 22 5.223 -9.218 -3.911 1.00 0.00 S ATOM 0 HA CYS A 22 4.634 -10.004 -1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.084 -7.470 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.629 -7.844 -1.983 1.00 0.00 H new ATOM 320 N GLN A 23 4.614 -8.685 0.909 1.00 0.00 N ATOM 321 CA GLN A 23 4.641 -7.928 2.118 1.00 0.00 C ATOM 322 C GLN A 23 5.976 -7.217 2.170 1.00 0.00 C ATOM 323 O GLN A 23 7.034 -7.839 2.063 1.00 0.00 O ATOM 324 CB GLN A 23 4.413 -8.810 3.355 1.00 0.00 C ATOM 325 CG GLN A 23 5.520 -9.802 3.651 1.00 0.00 C ATOM 326 CD GLN A 23 5.250 -10.669 4.851 1.00 0.00 C ATOM 327 OE1 GLN A 23 4.494 -10.167 5.800 1.00 0.00 O flip ATOM 328 NE2 GLN A 23 5.722 -11.801 4.916 1.00 0.00 N flip ATOM 0 H GLN A 23 5.204 -9.517 0.915 1.00 0.00 H new ATOM 0 HA GLN A 23 3.826 -7.204 2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.283 -8.164 4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.480 -9.359 3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.667 -10.439 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.451 -9.258 3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.305 -12.155 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.531 -12.387 5.729 1.00 0.00 H new ATOM 337 N ILE A 24 5.943 -5.943 2.222 1.00 0.00 N ATOM 338 CA ILE A 24 7.148 -5.196 2.241 1.00 0.00 C ATOM 339 C ILE A 24 7.222 -4.507 3.583 1.00 0.00 C ATOM 340 O ILE A 24 6.184 -4.116 4.131 1.00 0.00 O ATOM 341 CB ILE A 24 7.222 -4.148 1.060 1.00 0.00 C ATOM 342 CG1 ILE A 24 6.934 -4.793 -0.319 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.587 -3.488 1.001 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.480 -5.069 -0.634 1.00 0.00 C ATOM 0 H ILE A 24 5.089 -5.386 2.253 1.00 0.00 H new ATOM 0 HA ILE A 24 7.998 -5.863 2.097 1.00 0.00 H new ATOM 0 HB ILE A 24 6.453 -3.405 1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.335 -4.140 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.483 -5.733 -0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.610 -2.772 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.781 -2.969 1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.352 -4.248 0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.401 -5.520 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.070 -5.752 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.920 -4.134 -0.616 1.00 0.00 H new ATOM 356 N ARG A 25 8.402 -4.388 4.136 1.00 0.00 N ATOM 357 CA ARG A 25 8.568 -3.768 5.416 1.00 0.00 C ATOM 358 C ARG A 25 8.224 -2.290 5.300 1.00 0.00 C ATOM 359 O ARG A 25 8.875 -1.533 4.578 1.00 0.00 O ATOM 360 CB ARG A 25 9.997 -4.009 5.958 1.00 0.00 C ATOM 361 CG ARG A 25 11.111 -3.488 5.073 1.00 0.00 C ATOM 362 CD ARG A 25 12.470 -3.890 5.588 1.00 0.00 C ATOM 363 NE ARG A 25 13.555 -3.402 4.721 1.00 0.00 N ATOM 364 CZ ARG A 25 14.863 -3.589 4.956 1.00 0.00 C ATOM 365 NH1 ARG A 25 15.258 -4.307 6.003 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.770 -3.068 4.136 1.00 0.00 N ATOM 0 H ARG A 25 9.268 -4.718 3.710 1.00 0.00 H new ATOM 0 HA ARG A 25 7.888 -4.215 6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.082 -3.540 6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.139 -5.080 6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.979 -3.869 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.051 -2.401 5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.607 -3.497 6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.524 -4.976 5.659 1.00 0.00 H new ATOM 0 HE ARG A 25 13.294 -2.885 3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.566 -4.717 6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 25 16.253 -4.447 6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.473 -2.524 3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.763 -3.212 4.317 1.00 0.00 H new ATOM 380 N ILE A 26 7.191 -1.888 6.007 1.00 0.00 N ATOM 381 CA ILE A 26 6.652 -0.539 5.896 1.00 0.00 C ATOM 382 C ILE A 26 7.602 0.502 6.422 1.00 0.00 C ATOM 383 O ILE A 26 7.501 1.684 6.101 1.00 0.00 O ATOM 384 CB ILE A 26 5.222 -0.394 6.526 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.134 -0.841 8.010 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.207 -1.152 5.704 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.702 0.129 9.022 1.00 0.00 C ATOM 0 H ILE A 26 6.698 -2.481 6.675 1.00 0.00 H new ATOM 0 HA ILE A 26 6.535 -0.356 4.828 1.00 0.00 H new ATOM 0 HB ILE A 26 5.001 0.673 6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.087 -1.021 8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.654 -1.793 8.115 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.220 -1.042 6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.190 -0.754 4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.477 -2.208 5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.588 -0.283 10.025 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.759 0.293 8.815 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.168 1.077 8.957 1.00 0.00 H new ATOM 399 N GLN A 27 8.571 0.049 7.158 1.00 0.00 N ATOM 400 CA GLN A 27 9.511 0.935 7.763 1.00 0.00 C ATOM 401 C GLN A 27 10.628 1.292 6.814 1.00 0.00 C ATOM 402 O GLN A 27 11.395 2.199 7.079 1.00 0.00 O ATOM 403 CB GLN A 27 10.037 0.422 9.104 1.00 0.00 C ATOM 404 CG GLN A 27 10.546 -1.003 9.097 1.00 0.00 C ATOM 405 CD GLN A 27 9.441 -2.000 9.355 1.00 0.00 C ATOM 406 OE1 GLN A 27 8.792 -2.479 8.434 1.00 0.00 O ATOM 407 NE2 GLN A 27 9.211 -2.300 10.595 1.00 0.00 N ATOM 0 H GLN A 27 8.730 -0.939 7.354 1.00 0.00 H new ATOM 0 HA GLN A 27 8.968 1.853 7.988 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.844 1.077 9.434 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.240 0.502 9.843 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.010 -1.217 8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.320 -1.115 9.856 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.774 -1.880 11.334 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.467 -2.957 10.831 1.00 0.00 H new ATOM 416 N GLN A 28 10.699 0.610 5.676 1.00 0.00 N ATOM 417 CA GLN A 28 11.701 0.975 4.704 1.00 0.00 C ATOM 418 C GLN A 28 11.123 2.071 3.814 1.00 0.00 C ATOM 419 O GLN A 28 11.840 2.824 3.169 1.00 0.00 O ATOM 420 CB GLN A 28 12.152 -0.207 3.845 1.00 0.00 C ATOM 421 CG GLN A 28 11.197 -0.594 2.742 1.00 0.00 C ATOM 422 CD GLN A 28 11.782 -1.590 1.794 1.00 0.00 C ATOM 423 OE1 GLN A 28 12.600 -2.433 2.170 1.00 0.00 O ATOM 424 NE2 GLN A 28 11.409 -1.481 0.553 1.00 0.00 N ATOM 0 H GLN A 28 10.095 -0.170 5.417 1.00 0.00 H new ATOM 0 HA GLN A 28 12.584 1.324 5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.118 0.033 3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.305 -1.070 4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.289 -1.007 3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.906 0.299 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.729 -0.769 0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.796 -2.107 -0.153 1.00 0.00 H new ATOM 433 N LEU A 29 9.792 2.150 3.799 1.00 0.00 N ATOM 434 CA LEU A 29 9.101 3.150 3.010 1.00 0.00 C ATOM 435 C LEU A 29 8.914 4.381 3.799 1.00 0.00 C ATOM 436 O LEU A 29 8.449 5.391 3.270 1.00 0.00 O ATOM 437 CB LEU A 29 7.736 2.693 2.487 1.00 0.00 C ATOM 438 CG LEU A 29 7.718 1.583 1.444 1.00 0.00 C ATOM 439 CD1 LEU A 29 8.805 1.800 0.400 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.794 0.219 2.081 1.00 0.00 C ATOM 0 H LEU A 29 9.178 1.530 4.327 1.00 0.00 H new ATOM 0 HA LEU A 29 9.737 3.330 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.142 2.363 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.230 3.561 2.063 1.00 0.00 H new ATOM 0 HG LEU A 29 6.761 1.625 0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.771 0.994 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.643 2.754 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.780 1.807 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.779 -0.546 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.717 0.136 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.941 0.080 2.745 1.00 0.00 H new ATOM 452 N ASN A 30 9.296 4.305 5.063 1.00 0.00 N ATOM 453 CA ASN A 30 9.190 5.412 5.996 1.00 0.00 C ATOM 454 C ASN A 30 9.857 6.657 5.444 1.00 0.00 C ATOM 455 O ASN A 30 9.378 7.743 5.673 1.00 0.00 O ATOM 456 CB ASN A 30 9.760 5.040 7.388 1.00 0.00 C ATOM 457 CG ASN A 30 9.658 6.173 8.424 1.00 0.00 C ATOM 458 OD1 ASN A 30 8.633 6.329 9.097 1.00 0.00 O ATOM 459 ND2 ASN A 30 10.717 6.927 8.605 1.00 0.00 N ATOM 0 H ASN A 30 9.694 3.461 5.475 1.00 0.00 H new ATOM 0 HA ASN A 30 8.130 5.631 6.126 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.229 4.166 7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.806 4.755 7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.706 7.661 9.313 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.551 6.779 8.037 1.00 0.00 H new ATOM 466 N HIS A 31 10.922 6.487 4.650 1.00 0.00 N ATOM 467 CA HIS A 31 11.611 7.637 4.066 1.00 0.00 C ATOM 468 C HIS A 31 10.708 8.331 3.056 1.00 0.00 C ATOM 469 O HIS A 31 10.406 9.514 3.213 1.00 0.00 O ATOM 470 CB HIS A 31 12.931 7.248 3.391 1.00 0.00 C ATOM 471 CG HIS A 31 13.814 8.431 3.091 1.00 0.00 C ATOM 472 ND1 HIS A 31 13.618 9.505 2.276 1.00 0.00 N flip ATOM 473 CD2 HIS A 31 15.054 8.603 3.644 1.00 0.00 C flip ATOM 474 CE1 HIS A 31 14.741 10.320 2.328 1.00 0.00 C flip ATOM 475 NE2 HIS A 31 15.569 9.732 3.168 1.00 0.00 N flip ATOM 0 H HIS A 31 11.317 5.580 4.402 1.00 0.00 H new ATOM 0 HA HIS A 31 11.847 8.316 4.885 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.471 6.554 4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.715 6.719 2.463 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.532 7.936 4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.902 11.243 1.792 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.488 10.097 3.420 1.00 0.00 H new ATOM 483 N CYS A 32 10.273 7.582 2.037 1.00 0.00 N ATOM 484 CA CYS A 32 9.374 8.095 1.004 1.00 0.00 C ATOM 485 C CYS A 32 8.140 8.693 1.651 1.00 0.00 C ATOM 486 O CYS A 32 7.779 9.829 1.389 1.00 0.00 O ATOM 487 CB CYS A 32 8.988 6.971 0.026 1.00 0.00 C ATOM 488 SG CYS A 32 9.864 6.999 -1.565 1.00 0.00 S ATOM 0 H CYS A 32 10.535 6.605 1.907 1.00 0.00 H new ATOM 0 HA CYS A 32 9.885 8.875 0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.174 6.011 0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.917 7.030 -0.166 1.00 0.00 H new ATOM 493 N GLN A 33 7.553 7.925 2.535 1.00 0.00 N ATOM 494 CA GLN A 33 6.442 8.319 3.340 1.00 0.00 C ATOM 495 C GLN A 33 6.683 9.678 4.054 1.00 0.00 C ATOM 496 O GLN A 33 5.937 10.632 3.851 1.00 0.00 O ATOM 497 CB GLN A 33 6.239 7.233 4.366 1.00 0.00 C ATOM 498 CG GLN A 33 5.297 7.604 5.446 1.00 0.00 C ATOM 499 CD GLN A 33 5.348 6.651 6.610 1.00 0.00 C ATOM 500 OE1 GLN A 33 4.634 5.671 6.660 1.00 0.00 O ATOM 501 NE2 GLN A 33 6.185 6.939 7.563 1.00 0.00 N ATOM 0 H GLN A 33 7.856 6.968 2.715 1.00 0.00 H new ATOM 0 HA GLN A 33 5.565 8.453 2.707 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.870 6.337 3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.202 6.978 4.808 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.528 8.611 5.795 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.283 7.630 5.046 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.772 7.770 7.492 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.254 6.334 8.381 1.00 0.00 H new ATOM 510 N MET A 34 7.734 9.765 4.866 1.00 0.00 N ATOM 511 CA MET A 34 7.971 10.970 5.651 1.00 0.00 C ATOM 512 C MET A 34 8.336 12.147 4.787 1.00 0.00 C ATOM 513 O MET A 34 7.810 13.218 4.974 1.00 0.00 O ATOM 514 CB MET A 34 8.991 10.770 6.788 1.00 0.00 C ATOM 515 CG MET A 34 10.428 10.491 6.375 1.00 0.00 C ATOM 516 SD MET A 34 11.500 10.159 7.789 1.00 0.00 S ATOM 517 CE MET A 34 13.069 9.870 6.969 1.00 0.00 C ATOM 0 H MET A 34 8.425 9.026 4.996 1.00 0.00 H new ATOM 0 HA MET A 34 7.019 11.194 6.132 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.984 11.663 7.413 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.649 9.943 7.410 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.449 9.637 5.698 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.816 11.346 5.821 1.00 0.00 H new ATOM 0 HE1 MET A 34 13.884 10.190 7.619 1.00 0.00 H new ATOM 0 HE2 MET A 34 13.175 8.807 6.750 1.00 0.00 H new ATOM 0 HE3 MET A 34 13.103 10.437 6.039 1.00 0.00 H new ATOM 527 N HIS A 35 9.192 11.940 3.815 1.00 0.00 N ATOM 528 CA HIS A 35 9.601 13.023 2.925 1.00 0.00 C ATOM 529 C HIS A 35 8.475 13.547 2.046 1.00 0.00 C ATOM 530 O HIS A 35 8.496 14.706 1.634 1.00 0.00 O ATOM 531 CB HIS A 35 10.859 12.672 2.128 1.00 0.00 C ATOM 532 CG HIS A 35 12.114 12.916 2.905 1.00 0.00 C ATOM 533 ND1 HIS A 35 12.631 12.256 3.962 1.00 0.00 N flip ATOM 534 CD2 HIS A 35 12.983 13.951 2.647 1.00 0.00 C flip ATOM 535 CE1 HIS A 35 13.807 12.879 4.359 1.00 0.00 C flip ATOM 536 NE2 HIS A 35 13.969 13.894 3.528 1.00 0.00 N flip ATOM 0 H HIS A 35 9.623 11.038 3.613 1.00 0.00 H new ATOM 0 HA HIS A 35 9.864 13.857 3.576 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.817 11.624 1.831 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.882 13.262 1.212 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.878 14.684 1.861 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.454 12.594 5.176 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.751 14.548 3.561 1.00 0.00 H new ATOM 544 N LEU A 36 7.497 12.717 1.770 1.00 0.00 N ATOM 545 CA LEU A 36 6.351 13.158 1.002 1.00 0.00 C ATOM 546 C LEU A 36 5.250 13.742 1.883 1.00 0.00 C ATOM 547 O LEU A 36 4.494 14.591 1.447 1.00 0.00 O ATOM 548 CB LEU A 36 5.819 12.042 0.112 1.00 0.00 C ATOM 549 CG LEU A 36 6.801 11.540 -0.951 1.00 0.00 C ATOM 550 CD1 LEU A 36 6.214 10.395 -1.727 1.00 0.00 C ATOM 551 CD2 LEU A 36 7.230 12.657 -1.892 1.00 0.00 C ATOM 0 H LEU A 36 7.469 11.740 2.062 1.00 0.00 H new ATOM 0 HA LEU A 36 6.696 13.966 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.528 11.202 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.916 12.394 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 36 7.690 11.185 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.931 10.057 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.985 9.574 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.300 10.722 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.926 12.262 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.354 13.063 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.717 13.447 -1.321 1.00 0.00 H new ATOM 563 N THR A 37 5.152 13.301 3.118 1.00 0.00 N ATOM 564 CA THR A 37 4.141 13.863 3.995 1.00 0.00 C ATOM 565 C THR A 37 4.651 15.133 4.695 1.00 0.00 C ATOM 566 O THR A 37 3.880 15.875 5.318 1.00 0.00 O ATOM 567 CB THR A 37 3.628 12.829 5.034 1.00 0.00 C ATOM 568 OG1 THR A 37 4.730 12.324 5.810 1.00 0.00 O ATOM 569 CG2 THR A 37 2.981 11.653 4.335 1.00 0.00 C ATOM 0 H THR A 37 5.739 12.577 3.532 1.00 0.00 H new ATOM 0 HA THR A 37 3.295 14.138 3.365 1.00 0.00 H new ATOM 0 HB THR A 37 2.903 13.330 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.203 11.636 5.297 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.627 10.938 5.078 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.139 12.003 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.710 11.170 3.685 1.00 0.00 H new ATOM 577 N SER A 38 5.947 15.376 4.597 1.00 0.00 N ATOM 578 CA SER A 38 6.543 16.518 5.234 1.00 0.00 C ATOM 579 C SER A 38 6.545 17.762 4.365 1.00 0.00 C ATOM 580 O SER A 38 7.060 17.764 3.238 1.00 0.00 O ATOM 581 CB SER A 38 7.954 16.209 5.764 1.00 0.00 C ATOM 582 OG SER A 38 8.792 15.660 4.757 1.00 0.00 O ATOM 0 H SER A 38 6.601 14.790 4.078 1.00 0.00 H new ATOM 0 HA SER A 38 5.903 16.741 6.087 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.404 17.123 6.152 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.883 15.510 6.598 1.00 0.00 H new ATOM 0 HG SER A 38 8.493 14.752 4.541 1.00 0.00 H new ATOM 588 N PHE A 39 5.939 18.793 4.863 1.00 0.00 N ATOM 589 CA PHE A 39 6.057 20.084 4.276 1.00 0.00 C ATOM 590 C PHE A 39 6.913 20.876 5.202 1.00 0.00 C ATOM 591 O PHE A 39 6.468 21.284 6.277 1.00 0.00 O ATOM 592 CB PHE A 39 4.701 20.757 4.065 1.00 0.00 C ATOM 593 CG PHE A 39 3.851 20.073 3.043 1.00 0.00 C ATOM 594 CD1 PHE A 39 2.739 19.347 3.413 1.00 0.00 C ATOM 595 CD2 PHE A 39 4.177 20.156 1.705 1.00 0.00 C ATOM 596 CE1 PHE A 39 1.969 18.719 2.460 1.00 0.00 C ATOM 597 CE2 PHE A 39 3.411 19.528 0.750 1.00 0.00 C ATOM 598 CZ PHE A 39 2.309 18.812 1.127 1.00 0.00 C ATOM 0 H PHE A 39 5.346 18.760 5.692 1.00 0.00 H new ATOM 0 HA PHE A 39 6.496 20.012 3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.165 20.783 5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.861 21.791 3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.470 19.270 4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.046 20.722 1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.098 18.153 2.757 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.679 19.600 -0.294 1.00 0.00 H new ATOM 0 HZ PHE A 39 1.704 18.319 0.380 1.00 0.00 H new ATOM 865 N HIS A 55 15.659 11.714 -1.849 1.00 0.00 N ATOM 866 CA HIS A 55 14.733 10.756 -1.316 1.00 0.00 C ATOM 867 C HIS A 55 14.436 9.643 -2.309 1.00 0.00 C ATOM 868 O HIS A 55 14.155 8.529 -1.913 1.00 0.00 O ATOM 869 CB HIS A 55 13.441 11.432 -0.754 1.00 0.00 C ATOM 870 CG HIS A 55 12.706 12.368 -1.690 1.00 0.00 C ATOM 871 ND1 HIS A 55 11.968 13.455 -1.271 1.00 0.00 N ATOM 872 CD2 HIS A 55 12.568 12.329 -3.029 1.00 0.00 C ATOM 873 CE1 HIS A 55 11.409 14.016 -2.342 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.740 13.365 -3.446 1.00 0.00 N ATOM 0 HA HIS A 55 15.217 10.283 -0.462 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.751 10.646 -0.446 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.710 11.989 0.143 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.031 11.603 -3.681 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.770 14.887 -2.313 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.449 13.578 -4.400 1.00 0.00 H new ATOM 882 N LEU A 56 14.598 9.924 -3.595 1.00 0.00 N ATOM 883 CA LEU A 56 14.329 8.932 -4.613 1.00 0.00 C ATOM 884 C LEU A 56 15.501 8.006 -4.697 1.00 0.00 C ATOM 885 O LEU A 56 15.327 6.794 -4.729 1.00 0.00 O ATOM 886 CB LEU A 56 13.992 9.588 -5.984 1.00 0.00 C ATOM 887 CG LEU A 56 13.642 8.657 -7.199 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.862 7.994 -7.829 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.630 7.602 -6.803 1.00 0.00 C ATOM 0 H LEU A 56 14.913 10.827 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 56 13.444 8.358 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.149 10.261 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.843 10.204 -6.274 1.00 0.00 H new ATOM 0 HG LEU A 56 13.210 9.312 -7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.545 7.366 -8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.546 8.761 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.368 7.380 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.406 6.972 -7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.039 6.988 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.715 8.086 -6.460 1.00 0.00 H new ATOM 901 N SER A 57 16.693 8.575 -4.671 1.00 0.00 N ATOM 902 CA SER A 57 17.923 7.813 -4.732 1.00 0.00 C ATOM 903 C SER A 57 17.986 6.801 -3.585 1.00 0.00 C ATOM 904 O SER A 57 18.496 5.696 -3.740 1.00 0.00 O ATOM 905 CB SER A 57 19.104 8.770 -4.660 1.00 0.00 C ATOM 906 OG SER A 57 18.984 9.778 -5.659 1.00 0.00 O ATOM 0 H SER A 57 16.833 9.583 -4.607 1.00 0.00 H new ATOM 0 HA SER A 57 17.959 7.260 -5.671 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.149 9.230 -3.673 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.035 8.221 -4.798 1.00 0.00 H new ATOM 0 HG SER A 57 19.749 10.388 -5.601 1.00 0.00 H new ATOM 912 N LEU A 58 17.422 7.175 -2.465 1.00 0.00 N ATOM 913 CA LEU A 58 17.404 6.328 -1.305 1.00 0.00 C ATOM 914 C LEU A 58 16.231 5.346 -1.369 1.00 0.00 C ATOM 915 O LEU A 58 16.417 4.140 -1.244 1.00 0.00 O ATOM 916 CB LEU A 58 17.326 7.198 -0.053 1.00 0.00 C ATOM 917 CG LEU A 58 18.383 8.309 0.012 1.00 0.00 C ATOM 918 CD1 LEU A 58 18.224 9.139 1.262 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.790 7.737 -0.074 1.00 0.00 C ATOM 0 H LEU A 58 16.963 8.076 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 58 18.320 5.738 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.336 7.651 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.431 6.561 0.825 1.00 0.00 H new ATOM 0 HG LEU A 58 18.228 8.958 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.986 9.918 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.236 9.598 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.335 8.501 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.516 8.548 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.956 7.052 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.908 7.201 -1.016 1.00 0.00 H new ATOM 931 N CYS A 59 15.046 5.865 -1.616 1.00 0.00 N ATOM 932 CA CYS A 59 13.812 5.073 -1.647 1.00 0.00 C ATOM 933 C CYS A 59 13.848 4.015 -2.759 1.00 0.00 C ATOM 934 O CYS A 59 13.607 2.842 -2.492 1.00 0.00 O ATOM 935 CB CYS A 59 12.631 6.008 -1.827 1.00 0.00 C ATOM 936 SG CYS A 59 10.985 5.313 -1.579 1.00 0.00 S ATOM 0 H CYS A 59 14.900 6.857 -1.804 1.00 0.00 H new ATOM 0 HA CYS A 59 13.713 4.536 -0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.753 6.843 -1.137 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.676 6.419 -2.836 1.00 0.00 H new ATOM 941 N CYS A 60 14.203 4.425 -3.991 1.00 0.00 N ATOM 942 CA CYS A 60 14.316 3.502 -5.132 1.00 0.00 C ATOM 943 C CYS A 60 15.323 2.412 -4.823 1.00 0.00 C ATOM 944 O CYS A 60 15.074 1.246 -5.065 1.00 0.00 O ATOM 945 CB CYS A 60 14.699 4.275 -6.428 1.00 0.00 C ATOM 946 SG CYS A 60 15.076 3.271 -7.929 1.00 0.00 S ATOM 0 H CYS A 60 14.417 5.395 -4.221 1.00 0.00 H new ATOM 0 HA CYS A 60 13.347 3.032 -5.302 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.880 4.952 -6.672 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.569 4.893 -6.208 1.00 0.00 H new ATOM 951 N ASN A 61 16.399 2.788 -4.155 1.00 0.00 N ATOM 952 CA ASN A 61 17.478 1.844 -3.847 1.00 0.00 C ATOM 953 C ASN A 61 17.054 0.885 -2.756 1.00 0.00 C ATOM 954 O ASN A 61 17.474 -0.257 -2.719 1.00 0.00 O ATOM 955 CB ASN A 61 18.721 2.599 -3.422 1.00 0.00 C ATOM 956 CG ASN A 61 19.963 1.736 -3.286 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.697 1.535 -4.254 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.231 1.260 -2.113 1.00 0.00 N ATOM 0 H ASN A 61 16.556 3.736 -3.813 1.00 0.00 H new ATOM 0 HA ASN A 61 17.700 1.267 -4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.919 3.387 -4.148 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.526 3.087 -2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.071 0.700 -1.970 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.602 1.445 -1.332 1.00 0.00 H new ATOM 965 N GLN A 62 16.198 1.355 -1.899 1.00 0.00 N ATOM 966 CA GLN A 62 15.698 0.579 -0.795 1.00 0.00 C ATOM 967 C GLN A 62 14.646 -0.408 -1.278 1.00 0.00 C ATOM 968 O GLN A 62 14.659 -1.591 -0.908 1.00 0.00 O ATOM 969 CB GLN A 62 15.131 1.528 0.275 1.00 0.00 C ATOM 970 CG GLN A 62 14.532 0.868 1.503 1.00 0.00 C ATOM 971 CD GLN A 62 15.531 0.066 2.303 1.00 0.00 C ATOM 972 OE1 GLN A 62 15.712 -1.127 2.075 1.00 0.00 O ATOM 973 NE2 GLN A 62 16.164 0.694 3.247 1.00 0.00 N ATOM 0 H GLN A 62 15.820 2.301 -1.944 1.00 0.00 H new ATOM 0 HA GLN A 62 16.509 0.001 -0.352 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.929 2.195 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.365 2.149 -0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.098 1.636 2.143 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.717 0.214 1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.988 1.686 3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.838 0.196 3.828 1.00 0.00 H new ATOM 982 N LEU A 63 13.771 0.065 -2.129 1.00 0.00 N ATOM 983 CA LEU A 63 12.686 -0.740 -2.625 1.00 0.00 C ATOM 984 C LEU A 63 13.204 -1.792 -3.604 1.00 0.00 C ATOM 985 O LEU A 63 12.703 -2.893 -3.646 1.00 0.00 O ATOM 986 CB LEU A 63 11.601 0.163 -3.265 1.00 0.00 C ATOM 987 CG LEU A 63 11.926 0.812 -4.607 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.631 -0.112 -5.751 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.202 2.115 -4.766 1.00 0.00 C ATOM 0 H LEU A 63 13.791 1.016 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 63 12.225 -1.272 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.698 -0.434 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.363 0.956 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 63 12.996 1.018 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.874 0.383 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.231 -1.017 -5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.573 -0.375 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.452 2.555 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.127 1.943 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.499 2.796 -3.969 1.00 0.00 H new ATOM 1001 N GLN A 64 14.231 -1.441 -4.361 1.00 0.00 N ATOM 1002 CA GLN A 64 14.782 -2.318 -5.388 1.00 0.00 C ATOM 1003 C GLN A 64 15.519 -3.511 -4.782 1.00 0.00 C ATOM 1004 O GLN A 64 15.857 -4.463 -5.486 1.00 0.00 O ATOM 1005 CB GLN A 64 15.711 -1.547 -6.326 1.00 0.00 C ATOM 1006 CG GLN A 64 17.012 -1.134 -5.688 1.00 0.00 C ATOM 1007 CD GLN A 64 17.953 -0.449 -6.651 1.00 0.00 C ATOM 1008 OE1 GLN A 64 17.533 0.206 -7.596 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.224 -0.590 -6.420 1.00 0.00 N ATOM 0 H GLN A 64 14.707 -0.542 -4.283 1.00 0.00 H new ATOM 0 HA GLN A 64 13.940 -2.702 -5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.925 -2.164 -7.199 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.194 -0.657 -6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.804 -0.464 -4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.503 -2.015 -5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.539 -1.143 -5.623 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.906 -0.148 -7.036 1.00 0.00 H new ATOM 1018 N GLU A 65 15.787 -3.453 -3.487 1.00 0.00 N ATOM 1019 CA GLU A 65 16.441 -4.554 -2.816 1.00 0.00 C ATOM 1020 C GLU A 65 15.418 -5.602 -2.401 1.00 0.00 C ATOM 1021 O GLU A 65 15.763 -6.703 -1.940 1.00 0.00 O ATOM 1022 CB GLU A 65 17.283 -4.070 -1.641 1.00 0.00 C ATOM 1023 CG GLU A 65 18.387 -3.123 -2.083 1.00 0.00 C ATOM 1024 CD GLU A 65 19.405 -2.818 -1.018 1.00 0.00 C ATOM 1025 OE1 GLU A 65 20.391 -3.574 -0.903 1.00 0.00 O ATOM 1026 OE2 GLU A 65 19.262 -1.813 -0.290 1.00 0.00 O ATOM 0 H GLU A 65 15.562 -2.659 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 65 17.132 -5.025 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.641 -3.566 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.723 -4.928 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.897 -3.555 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.936 -2.188 -2.416 1.00 0.00 H new ATOM 1033 N VAL A 66 14.165 -5.234 -2.554 1.00 0.00 N ATOM 1034 CA VAL A 66 13.031 -6.121 -2.358 1.00 0.00 C ATOM 1035 C VAL A 66 12.840 -6.899 -3.680 1.00 0.00 C ATOM 1036 O VAL A 66 13.422 -6.506 -4.711 1.00 0.00 O ATOM 1037 CB VAL A 66 11.743 -5.274 -2.041 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.543 -6.125 -1.706 1.00 0.00 C ATOM 1039 CG2 VAL A 66 12.005 -4.304 -0.920 1.00 0.00 C ATOM 0 H VAL A 66 13.896 -4.288 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 66 13.202 -6.803 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 66 11.508 -4.728 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.688 -5.482 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.311 -6.775 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.762 -6.733 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.101 -3.729 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.294 -4.853 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.810 -3.627 -1.206 1.00 0.00 H new ATOM 1049 N GLU A 67 12.096 -8.002 -3.650 1.00 0.00 N ATOM 1050 CA GLU A 67 11.792 -8.798 -4.849 1.00 0.00 C ATOM 1051 C GLU A 67 11.240 -7.932 -5.960 1.00 0.00 C ATOM 1052 O GLU A 67 10.454 -7.035 -5.700 1.00 0.00 O ATOM 1053 CB GLU A 67 10.779 -9.857 -4.510 1.00 0.00 C ATOM 1054 CG GLU A 67 11.331 -10.963 -3.675 1.00 0.00 C ATOM 1055 CD GLU A 67 10.268 -11.917 -3.217 1.00 0.00 C ATOM 1056 OE1 GLU A 67 9.649 -11.674 -2.156 1.00 0.00 O ATOM 1057 OE2 GLU A 67 10.032 -12.930 -3.908 1.00 0.00 O ATOM 0 H GLU A 67 11.684 -8.374 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 67 12.721 -9.255 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.945 -9.395 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.379 -10.275 -5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.082 -11.507 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.836 -10.542 -2.806 1.00 0.00 H new ATOM 1064 N LYS A 68 11.615 -8.239 -7.191 1.00 0.00 N ATOM 1065 CA LYS A 68 11.241 -7.433 -8.356 1.00 0.00 C ATOM 1066 C LYS A 68 9.730 -7.268 -8.512 1.00 0.00 C ATOM 1067 O LYS A 68 9.257 -6.216 -8.899 1.00 0.00 O ATOM 1068 CB LYS A 68 11.892 -7.960 -9.645 1.00 0.00 C ATOM 1069 CG LYS A 68 11.562 -9.396 -10.008 1.00 0.00 C ATOM 1070 CD LYS A 68 12.323 -9.831 -11.249 1.00 0.00 C ATOM 1071 CE LYS A 68 13.842 -9.937 -11.020 1.00 0.00 C ATOM 1072 NZ LYS A 68 14.206 -10.940 -9.982 1.00 0.00 N ATOM 0 H LYS A 68 12.187 -9.052 -7.417 1.00 0.00 H new ATOM 0 HA LYS A 68 11.636 -6.434 -8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.591 -7.317 -10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.974 -7.868 -9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.812 -10.052 -9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.490 -9.494 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.943 -10.797 -11.581 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.132 -9.120 -12.053 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.328 -10.202 -11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.228 -8.961 -10.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.237 -11.077 -9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.899 -10.600 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.737 -11.844 -10.193 1.00 0.00 H new ATOM 1086 N GLN A 69 8.983 -8.280 -8.139 1.00 0.00 N ATOM 1087 CA GLN A 69 7.525 -8.215 -8.248 1.00 0.00 C ATOM 1088 C GLN A 69 6.938 -7.403 -7.089 1.00 0.00 C ATOM 1089 O GLN A 69 5.851 -6.847 -7.186 1.00 0.00 O ATOM 1090 CB GLN A 69 6.917 -9.628 -8.278 1.00 0.00 C ATOM 1091 CG GLN A 69 7.236 -10.469 -7.049 1.00 0.00 C ATOM 1092 CD GLN A 69 6.611 -11.844 -7.094 1.00 0.00 C ATOM 1093 OE1 GLN A 69 7.210 -12.792 -7.599 1.00 0.00 O ATOM 1094 NE2 GLN A 69 5.425 -11.972 -6.560 1.00 0.00 N ATOM 0 H GLN A 69 9.345 -9.155 -7.760 1.00 0.00 H new ATOM 0 HA GLN A 69 7.274 -7.716 -9.184 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.835 -9.544 -8.376 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.278 -10.149 -9.165 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.317 -10.571 -6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.887 -9.947 -6.158 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.960 -11.162 -6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.965 -12.882 -6.553 1.00 0.00 H new ATOM 1103 N CYS A 70 7.703 -7.297 -6.029 1.00 0.00 N ATOM 1104 CA CYS A 70 7.267 -6.672 -4.804 1.00 0.00 C ATOM 1105 C CYS A 70 7.799 -5.237 -4.685 1.00 0.00 C ATOM 1106 O CYS A 70 7.371 -4.480 -3.821 1.00 0.00 O ATOM 1107 CB CYS A 70 7.737 -7.521 -3.629 1.00 0.00 C ATOM 1108 SG CYS A 70 7.244 -9.281 -3.756 1.00 0.00 S ATOM 0 H CYS A 70 8.660 -7.648 -5.993 1.00 0.00 H new ATOM 0 HA CYS A 70 6.179 -6.609 -4.803 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.823 -7.460 -3.559 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.334 -7.105 -2.706 1.00 0.00 H new ATOM 1113 N GLN A 71 8.727 -4.878 -5.563 1.00 0.00 N ATOM 1114 CA GLN A 71 9.304 -3.529 -5.618 1.00 0.00 C ATOM 1115 C GLN A 71 8.230 -2.493 -5.862 1.00 0.00 C ATOM 1116 O GLN A 71 8.184 -1.466 -5.201 1.00 0.00 O ATOM 1117 CB GLN A 71 10.370 -3.467 -6.703 1.00 0.00 C ATOM 1118 CG GLN A 71 11.654 -4.180 -6.326 1.00 0.00 C ATOM 1119 CD GLN A 71 12.649 -4.255 -7.459 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.665 -3.411 -8.341 1.00 0.00 O ATOM 1121 NE2 GLN A 71 13.517 -5.233 -7.417 1.00 0.00 N ATOM 0 H GLN A 71 9.107 -5.514 -6.264 1.00 0.00 H new ATOM 0 HA GLN A 71 9.767 -3.307 -4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.973 -3.908 -7.618 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.594 -2.423 -6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.113 -3.665 -5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.416 -5.190 -5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.474 -5.921 -6.665 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.237 -5.307 -8.136 1.00 0.00 H new ATOM 1130 N CYS A 72 7.334 -2.783 -6.778 1.00 0.00 N ATOM 1131 CA CYS A 72 6.245 -1.878 -7.040 1.00 0.00 C ATOM 1132 C CYS A 72 5.163 -1.991 -5.998 1.00 0.00 C ATOM 1133 O CYS A 72 4.394 -1.063 -5.779 1.00 0.00 O ATOM 1134 CB CYS A 72 5.703 -2.011 -8.440 1.00 0.00 C ATOM 1135 SG CYS A 72 5.250 -3.681 -8.973 1.00 0.00 S ATOM 0 H CYS A 72 7.339 -3.629 -7.347 1.00 0.00 H new ATOM 0 HA CYS A 72 6.654 -0.870 -6.970 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.823 -1.374 -8.527 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.448 -1.622 -9.133 1.00 0.00 H new ATOM 1140 N GLU A 73 5.111 -3.120 -5.352 1.00 0.00 N ATOM 1141 CA GLU A 73 4.149 -3.341 -4.297 1.00 0.00 C ATOM 1142 C GLU A 73 4.475 -2.466 -3.091 1.00 0.00 C ATOM 1143 O GLU A 73 3.577 -1.947 -2.403 1.00 0.00 O ATOM 1144 CB GLU A 73 4.101 -4.809 -3.909 1.00 0.00 C ATOM 1145 CG GLU A 73 3.629 -5.703 -5.035 1.00 0.00 C ATOM 1146 CD GLU A 73 2.195 -5.421 -5.432 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.901 -4.332 -5.943 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.340 -6.302 -5.257 1.00 0.00 O ATOM 0 H GLU A 73 5.727 -3.912 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 73 3.162 -3.062 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.094 -5.128 -3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.438 -4.931 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.277 -5.565 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.721 -6.746 -4.731 1.00 0.00 H new ATOM 1155 N ALA A 74 5.770 -2.258 -2.877 1.00 0.00 N ATOM 1156 CA ALA A 74 6.270 -1.410 -1.822 1.00 0.00 C ATOM 1157 C ALA A 74 5.748 0.012 -1.992 1.00 0.00 C ATOM 1158 O ALA A 74 5.531 0.728 -1.022 1.00 0.00 O ATOM 1159 CB ALA A 74 7.793 -1.427 -1.839 1.00 0.00 C ATOM 0 H ALA A 74 6.504 -2.683 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 74 5.920 -1.786 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.173 -0.787 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.147 -2.446 -1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.150 -1.060 -2.801 1.00 0.00 H new ATOM 1165 N ILE A 75 5.475 0.366 -3.239 1.00 0.00 N ATOM 1166 CA ILE A 75 5.008 1.687 -3.607 1.00 0.00 C ATOM 1167 C ILE A 75 3.580 1.878 -3.144 1.00 0.00 C ATOM 1168 O ILE A 75 3.196 2.965 -2.710 1.00 0.00 O ATOM 1169 CB ILE A 75 5.035 1.868 -5.139 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.406 1.486 -5.719 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.628 3.275 -5.538 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.591 2.149 -5.075 1.00 0.00 C ATOM 0 H ILE A 75 5.574 -0.268 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 75 5.667 2.416 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 75 4.299 1.187 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.527 0.406 -5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.411 1.727 -6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.658 3.368 -6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.617 3.475 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.317 3.993 -5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.506 1.809 -5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.505 3.230 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.623 1.889 -4.017 1.00 0.00 H new ATOM 1184 N LYS A 76 2.809 0.792 -3.193 1.00 0.00 N ATOM 1185 CA LYS A 76 1.401 0.832 -2.845 1.00 0.00 C ATOM 1186 C LYS A 76 1.327 1.187 -1.391 1.00 0.00 C ATOM 1187 O LYS A 76 0.591 2.105 -0.972 1.00 0.00 O ATOM 1188 CB LYS A 76 0.765 -0.558 -3.033 1.00 0.00 C ATOM 1189 CG LYS A 76 1.021 -1.226 -4.384 1.00 0.00 C ATOM 1190 CD LYS A 76 0.393 -0.476 -5.536 1.00 0.00 C ATOM 1191 CE LYS A 76 0.621 -1.206 -6.859 1.00 0.00 C ATOM 1192 NZ LYS A 76 0.125 -2.607 -6.833 1.00 0.00 N ATOM 0 H LYS A 76 3.145 -0.129 -3.473 1.00 0.00 H new ATOM 0 HA LYS A 76 0.875 1.550 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.135 -1.216 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.312 -0.467 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.096 -1.302 -4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.629 -2.243 -4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.677 -0.362 -5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.815 0.527 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.121 -0.662 -7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.686 -1.206 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.220 -2.871 -7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.899 -3.244 -6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.651 -2.688 -6.146 1.00 0.00 H new ATOM 1206 N GLN A 77 2.198 0.508 -0.653 1.00 0.00 N ATOM 1207 CA GLN A 77 2.284 0.619 0.780 1.00 0.00 C ATOM 1208 C GLN A 77 2.555 2.039 1.193 1.00 0.00 C ATOM 1209 O GLN A 77 1.880 2.544 2.082 1.00 0.00 O ATOM 1210 CB GLN A 77 3.380 -0.265 1.346 1.00 0.00 C ATOM 1211 CG GLN A 77 3.410 -1.676 0.802 1.00 0.00 C ATOM 1212 CD GLN A 77 4.089 -2.638 1.753 1.00 0.00 C ATOM 1213 OE1 GLN A 77 3.773 -3.828 1.792 1.00 0.00 O ATOM 1214 NE2 GLN A 77 5.005 -2.140 2.540 1.00 0.00 N ATOM 0 H GLN A 77 2.873 -0.145 -1.051 1.00 0.00 H new ATOM 0 HA GLN A 77 1.322 0.294 1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.343 0.205 1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.265 -0.312 2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.391 -2.013 0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.932 -1.684 -0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.243 -1.150 2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.482 -2.741 3.212 1.00 0.00 H new ATOM 1223 N VAL A 78 3.521 2.698 0.503 1.00 0.00 N ATOM 1224 CA VAL A 78 3.917 4.081 0.827 1.00 0.00 C ATOM 1225 C VAL A 78 2.707 4.967 0.866 1.00 0.00 C ATOM 1226 O VAL A 78 2.525 5.735 1.799 1.00 0.00 O ATOM 1227 CB VAL A 78 4.871 4.734 -0.215 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.395 6.059 0.306 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.000 3.832 -0.622 1.00 0.00 C ATOM 0 H VAL A 78 4.035 2.290 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 78 4.430 4.001 1.785 1.00 0.00 H new ATOM 0 HB VAL A 78 4.283 4.912 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.061 6.503 -0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.559 6.733 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.942 5.894 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.630 4.343 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.594 3.574 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.597 2.922 -1.067 1.00 0.00 H new ATOM 1239 N VAL A 79 1.850 4.808 -0.128 1.00 0.00 N ATOM 1240 CA VAL A 79 0.715 5.673 -0.263 1.00 0.00 C ATOM 1241 C VAL A 79 -0.234 5.411 0.868 1.00 0.00 C ATOM 1242 O VAL A 79 -0.630 6.329 1.584 1.00 0.00 O ATOM 1243 CB VAL A 79 -0.040 5.449 -1.584 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.104 6.524 -1.768 1.00 0.00 C ATOM 1245 CG2 VAL A 79 0.919 5.391 -2.767 1.00 0.00 C ATOM 0 H VAL A 79 1.927 4.087 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 79 1.084 6.699 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.542 4.482 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.633 6.356 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.812 6.481 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.630 7.505 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.354 5.232 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.468 6.330 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.622 4.570 -2.626 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.517 4.141 1.075 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.476 3.722 2.064 1.00 0.00 C ATOM 1257 C GLU A 80 -1.064 4.095 3.467 1.00 0.00 C ATOM 1258 O GLU A 80 -1.899 4.517 4.255 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.782 2.236 1.956 1.00 0.00 C ATOM 1260 CG GLU A 80 -2.438 1.867 0.650 1.00 0.00 C ATOM 1261 CD GLU A 80 -2.907 0.444 0.613 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -3.997 0.157 1.164 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -2.213 -0.408 0.029 1.00 0.00 O ATOM 0 H GLU A 80 -0.086 3.374 0.560 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.395 4.268 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.857 1.671 2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.433 1.943 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.287 2.528 0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.733 2.033 -0.164 1.00 0.00 H new ATOM 1270 N GLN A 81 0.208 3.975 3.769 1.00 0.00 N ATOM 1271 CA GLN A 81 0.699 4.288 5.096 1.00 0.00 C ATOM 1272 C GLN A 81 0.850 5.808 5.304 1.00 0.00 C ATOM 1273 O GLN A 81 0.611 6.324 6.406 1.00 0.00 O ATOM 1274 CB GLN A 81 2.001 3.511 5.415 1.00 0.00 C ATOM 1275 CG GLN A 81 3.187 3.820 4.505 1.00 0.00 C ATOM 1276 CD GLN A 81 4.365 2.885 4.734 1.00 0.00 C ATOM 1277 OE1 GLN A 81 4.484 1.838 4.102 1.00 0.00 O ATOM 1278 NE2 GLN A 81 5.235 3.253 5.629 1.00 0.00 N ATOM 0 H GLN A 81 0.925 3.662 3.114 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.050 3.953 5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.289 3.725 6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.790 2.443 5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.869 3.749 3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.508 4.848 4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.106 4.129 6.136 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.046 2.666 5.824 1.00 0.00 H new ATOM 1287 N ALA A 82 1.182 6.522 4.249 1.00 0.00 N ATOM 1288 CA ALA A 82 1.369 7.963 4.336 1.00 0.00 C ATOM 1289 C ALA A 82 0.034 8.700 4.424 1.00 0.00 C ATOM 1290 O ALA A 82 -0.089 9.711 5.112 1.00 0.00 O ATOM 1291 CB ALA A 82 2.176 8.470 3.155 1.00 0.00 C ATOM 0 H ALA A 82 1.329 6.132 3.318 1.00 0.00 H new ATOM 0 HA ALA A 82 1.922 8.167 5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.305 9.549 3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.153 7.987 3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.650 8.238 2.229 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.967 8.190 3.747 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.266 8.831 3.755 1.00 0.00 C ATOM 1299 C GLN A 83 -2.982 8.560 5.069 1.00 0.00 C ATOM 1300 O GLN A 83 -3.637 9.439 5.622 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.125 8.383 2.554 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.469 6.894 2.534 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.207 6.450 1.287 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -4.076 5.308 0.847 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -4.988 7.315 0.720 1.00 0.00 N ATOM 0 H GLN A 83 -0.911 7.340 3.187 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.112 9.906 3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.052 8.956 2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.596 8.632 1.634 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.548 6.317 2.624 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.078 6.660 3.407 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.076 8.254 1.108 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.515 7.057 -0.114 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.789 7.359 5.602 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.471 6.953 6.812 1.00 0.00 C ATOM 1316 C LYS A 84 -2.903 7.664 8.021 1.00 0.00 C ATOM 1317 O LYS A 84 -3.633 7.974 8.952 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.464 5.407 6.970 1.00 0.00 C ATOM 1319 CG LYS A 84 -2.097 4.765 7.233 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.737 4.715 8.697 1.00 0.00 C ATOM 1321 CE LYS A 84 -2.603 3.707 9.437 1.00 0.00 C ATOM 1322 NZ LYS A 84 -2.244 3.592 10.857 1.00 0.00 N ATOM 0 H LYS A 84 -2.165 6.654 5.211 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.516 7.253 6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.131 5.142 7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.882 4.967 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.095 3.752 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.331 5.324 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.686 4.448 8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.863 5.703 9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.649 4.001 9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.506 2.731 8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.026 3.146 11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.387 3.010 10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.064 4.539 11.247 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.606 7.961 7.986 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.965 8.612 9.109 1.00 0.00 C ATOM 1338 C GLN A 85 -1.460 10.053 9.236 1.00 0.00 C ATOM 1339 O GLN A 85 -1.684 10.553 10.340 1.00 0.00 O ATOM 1340 CB GLN A 85 0.557 8.567 8.986 1.00 0.00 C ATOM 1341 CG GLN A 85 1.123 9.435 7.903 1.00 0.00 C ATOM 1342 CD GLN A 85 2.605 9.500 7.925 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.259 8.715 7.309 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.142 10.445 8.636 1.00 0.00 N ATOM 0 H GLN A 85 -0.990 7.761 7.198 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.234 8.069 10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.994 8.866 9.939 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.863 7.537 8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.796 9.057 6.934 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.719 10.442 8.005 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.549 11.097 9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.157 10.535 8.681 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.658 10.703 8.104 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.160 12.057 8.102 1.00 0.00 C ATOM 1355 C LEU A 86 -3.645 12.080 8.422 1.00 0.00 C ATOM 1356 O LEU A 86 -4.139 12.988 9.118 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.822 12.768 6.777 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.554 13.625 6.769 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.689 14.774 7.744 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.673 12.818 7.092 1.00 0.00 C ATOM 0 H LEU A 86 -1.478 10.313 7.179 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.660 12.619 8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.728 12.012 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.665 13.403 6.505 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.435 14.019 5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.221 15.374 7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.539 15.395 7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.846 14.382 8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.549 13.466 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.567 12.376 8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.793 12.026 6.352 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.327 11.038 7.979 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.754 10.846 8.201 1.00 0.00 C ATOM 1374 C GLN A 87 -6.060 10.784 9.699 1.00 0.00 C ATOM 1375 O GLN A 87 -6.987 11.429 10.184 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.175 9.528 7.561 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.659 9.252 7.584 1.00 0.00 C ATOM 1378 CD GLN A 87 -7.981 7.831 7.178 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -7.203 6.899 7.426 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -9.094 7.649 6.547 1.00 0.00 N ATOM 0 H GLN A 87 -3.897 10.284 7.443 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.298 11.682 7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.835 9.520 6.525 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.661 8.713 8.071 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.046 9.439 8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.166 9.944 6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.710 8.440 6.361 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.357 6.714 6.236 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.230 10.056 10.422 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.434 9.830 11.855 1.00 0.00 C ATOM 1391 C GLN A 88 -4.769 10.920 12.671 1.00 0.00 C ATOM 1392 O GLN A 88 -4.846 10.935 13.908 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.855 8.474 12.263 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.346 8.373 12.092 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.788 7.024 12.462 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.696 6.137 11.633 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -2.383 6.868 13.685 1.00 0.00 N ATOM 0 H GLN A 88 -4.398 9.604 10.043 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.507 9.844 12.049 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.107 8.281 13.306 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.331 7.693 11.670 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.091 8.591 11.055 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.867 9.136 12.705 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.475 7.632 14.354 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.973 5.981 13.977 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.114 11.805 11.988 1.00 0.00 N ATOM 1407 CA GLY A 89 -3.395 12.848 12.641 1.00 0.00 C ATOM 1408 C GLY A 89 -4.153 14.146 12.687 1.00 0.00 C ATOM 1409 O GLY A 89 -4.821 14.459 13.677 1.00 0.00 O ATOM 0 H GLY A 89 -4.064 11.824 10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.158 12.536 13.658 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.447 13.005 12.126 1.00 0.00 H new ATOM 1413 N GLN A 90 -4.096 14.883 11.615 1.00 0.00 N ATOM 1414 CA GLN A 90 -4.660 16.229 11.593 1.00 0.00 C ATOM 1415 C GLN A 90 -5.476 16.510 10.343 1.00 0.00 C ATOM 1416 O GLN A 90 -6.368 17.361 10.347 1.00 0.00 O ATOM 1417 CB GLN A 90 -3.515 17.237 11.674 1.00 0.00 C ATOM 1418 CG GLN A 90 -2.467 17.063 10.567 1.00 0.00 C ATOM 1419 CD GLN A 90 -1.321 18.051 10.639 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -1.591 19.246 11.075 1.00 0.00 O flip ATOM 1421 NE2 GLN A 90 -0.200 17.734 10.260 1.00 0.00 N flip ATOM 0 H GLN A 90 -3.668 14.587 10.738 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.335 16.316 12.444 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.925 18.246 11.620 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.027 17.143 12.644 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.064 16.051 10.619 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.957 17.162 9.599 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.024 16.787 9.924 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.557 18.417 10.280 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.197 15.786 9.310 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.731 16.076 8.021 1.00 0.00 C ATOM 1432 C GLY A 91 -4.595 16.003 7.086 1.00 0.00 C ATOM 1433 O GLY A 91 -3.892 15.020 7.100 1.00 0.00 O ATOM 0 H GLY A 91 -4.587 14.969 9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.507 15.360 7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.189 17.065 8.002 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.379 17.011 6.285 1.00 0.00 N ATOM 1438 CA GLY A 92 -3.213 17.027 5.447 1.00 0.00 C ATOM 1439 C GLY A 92 -3.330 16.173 4.212 1.00 0.00 C ATOM 1440 O GLY A 92 -2.659 16.420 3.258 1.00 0.00 O ATOM 0 H GLY A 92 -4.989 17.824 6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.009 18.055 5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.356 16.689 6.029 1.00 0.00 H new ATOM 1444 N GLN A 93 -4.228 15.230 4.231 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.442 14.236 3.176 1.00 0.00 C ATOM 1446 C GLN A 93 -4.572 14.919 1.803 1.00 0.00 C ATOM 1447 O GLN A 93 -4.047 14.440 0.800 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.737 13.477 3.474 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.890 12.992 4.917 1.00 0.00 C ATOM 1450 CD GLN A 93 -7.249 12.370 5.171 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -7.788 12.584 6.341 1.00 0.00 O flip ATOM 1452 NE2 GLN A 93 -7.839 11.756 4.293 1.00 0.00 N flip ATOM 0 H GLN A 93 -4.871 15.113 5.014 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.590 13.556 3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.581 14.123 3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.795 12.615 2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -5.111 12.262 5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.743 13.830 5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.392 11.604 3.389 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.778 11.396 4.465 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.230 16.066 1.806 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.488 16.840 0.604 1.00 0.00 C ATOM 1463 C GLN A 94 -4.251 17.640 0.162 1.00 0.00 C ATOM 1464 O GLN A 94 -3.971 17.754 -1.025 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.676 17.777 0.843 1.00 0.00 C ATOM 1466 CG GLN A 94 -6.426 18.787 1.949 1.00 0.00 C ATOM 1467 CD GLN A 94 -7.641 19.612 2.338 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -7.769 20.041 3.490 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -8.525 19.857 1.414 1.00 0.00 N ATOM 0 H GLN A 94 -5.605 16.491 2.654 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.727 16.146 -0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.903 18.308 -0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.555 17.183 1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.065 18.258 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.630 19.462 1.634 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.393 19.490 0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.350 20.416 1.633 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.503 18.166 1.113 1.00 0.00 N ATOM 1479 CA GLN A 95 -2.337 18.969 0.791 1.00 0.00 C ATOM 1480 C GLN A 95 -1.167 18.075 0.472 1.00 0.00 C ATOM 1481 O GLN A 95 -0.457 18.282 -0.495 1.00 0.00 O ATOM 1482 CB GLN A 95 -2.003 19.969 1.910 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.797 19.360 3.263 1.00 0.00 C ATOM 1484 CD GLN A 95 -1.431 20.368 4.323 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -0.260 20.635 4.557 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -2.409 20.924 4.959 1.00 0.00 N ATOM 0 H GLN A 95 -3.680 18.053 2.111 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.566 19.564 -0.093 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.101 20.514 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.809 20.700 1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.708 18.843 3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.010 18.609 3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.372 20.674 4.734 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.218 21.613 5.686 1.00 0.00 H new ATOM 1495 N VAL A 96 -1.028 17.047 1.269 1.00 0.00 N ATOM 1496 CA VAL A 96 -0.004 16.035 1.117 1.00 0.00 C ATOM 1497 C VAL A 96 -0.200 15.282 -0.188 1.00 0.00 C ATOM 1498 O VAL A 96 0.762 14.782 -0.756 1.00 0.00 O ATOM 1499 CB VAL A 96 0.000 15.039 2.331 1.00 0.00 C ATOM 1500 CG1 VAL A 96 0.983 13.909 2.143 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.294 15.766 3.636 1.00 0.00 C ATOM 0 H VAL A 96 -1.641 16.882 2.067 1.00 0.00 H new ATOM 0 HA VAL A 96 0.964 16.535 1.095 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.000 14.608 2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.948 13.248 3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.723 13.346 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.989 14.316 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.290 15.052 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.272 16.244 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.470 16.524 3.810 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.446 15.270 -0.690 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.801 14.579 -1.939 1.00 0.00 C ATOM 1513 C GLN A 97 -0.841 14.926 -3.079 1.00 0.00 C ATOM 1514 O GLN A 97 -0.349 14.047 -3.768 1.00 0.00 O ATOM 1515 CB GLN A 97 -3.215 14.929 -2.363 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.650 14.248 -3.646 1.00 0.00 C ATOM 1517 CD GLN A 97 -5.025 14.670 -4.080 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -6.032 14.071 -3.702 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -5.089 15.690 -4.888 1.00 0.00 N ATOM 0 H GLN A 97 -2.234 15.738 -0.242 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.728 13.510 -1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.904 14.654 -1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.290 16.009 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.936 14.478 -4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.632 13.167 -3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.234 16.163 -5.181 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.994 16.016 -5.228 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.525 16.199 -3.212 1.00 0.00 N ATOM 1529 CA GLN A 98 0.322 16.671 -4.297 1.00 0.00 C ATOM 1530 C GLN A 98 1.772 16.205 -4.144 1.00 0.00 C ATOM 1531 O GLN A 98 2.545 16.220 -5.103 1.00 0.00 O ATOM 1532 CB GLN A 98 0.231 18.189 -4.446 1.00 0.00 C ATOM 1533 CG GLN A 98 0.738 18.972 -3.254 1.00 0.00 C ATOM 1534 CD GLN A 98 0.430 20.443 -3.361 1.00 0.00 C ATOM 1535 OE1 GLN A 98 -0.580 20.840 -3.955 1.00 0.00 O ATOM 1536 NE2 GLN A 98 1.274 21.258 -2.813 1.00 0.00 N ATOM 0 H GLN A 98 -0.843 16.932 -2.579 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.054 16.223 -5.217 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.797 18.489 -5.328 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.809 18.461 -4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.289 18.575 -2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.816 18.835 -3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.096 20.893 -2.331 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.117 22.265 -2.863 1.00 0.00 H new ATOM 1545 N MET A 99 2.140 15.793 -2.960 1.00 0.00 N ATOM 1546 CA MET A 99 3.487 15.342 -2.720 1.00 0.00 C ATOM 1547 C MET A 99 3.510 13.846 -2.768 1.00 0.00 C ATOM 1548 O MET A 99 4.339 13.259 -3.433 1.00 0.00 O ATOM 1549 CB MET A 99 3.971 15.817 -1.376 1.00 0.00 C ATOM 1550 CG MET A 99 5.476 15.960 -1.264 1.00 0.00 C ATOM 1551 SD MET A 99 6.163 17.170 -2.409 1.00 0.00 S ATOM 1552 CE MET A 99 7.899 17.081 -1.968 1.00 0.00 C ATOM 0 H MET A 99 1.527 15.760 -2.146 1.00 0.00 H new ATOM 0 HA MET A 99 4.147 15.751 -3.485 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.510 16.780 -1.158 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.627 15.119 -0.613 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.732 16.248 -0.244 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.941 14.991 -1.447 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.477 17.720 -2.635 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.031 17.417 -0.939 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.246 16.052 -2.061 1.00 0.00 H new ATOM 1562 N VAL A 100 2.573 13.235 -2.089 1.00 0.00 N ATOM 1563 CA VAL A 100 2.469 11.782 -2.074 1.00 0.00 C ATOM 1564 C VAL A 100 2.184 11.223 -3.485 1.00 0.00 C ATOM 1565 O VAL A 100 2.542 10.104 -3.794 1.00 0.00 O ATOM 1566 CB VAL A 100 1.445 11.248 -1.021 1.00 0.00 C ATOM 1567 CG1 VAL A 100 0.037 11.684 -1.330 1.00 0.00 C ATOM 1568 CG2 VAL A 100 1.521 9.743 -0.900 1.00 0.00 C ATOM 0 H VAL A 100 1.864 13.715 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 100 3.443 11.410 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 100 1.721 11.686 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.640 11.290 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.015 12.773 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.255 11.305 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.797 9.400 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.296 9.289 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.524 9.453 -0.587 1.00 0.00 H new ATOM 1578 N LYS A 101 1.585 12.030 -4.357 1.00 0.00 N ATOM 1579 CA LYS A 101 1.364 11.614 -5.740 1.00 0.00 C ATOM 1580 C LYS A 101 2.685 11.378 -6.491 1.00 0.00 C ATOM 1581 O LYS A 101 2.715 10.692 -7.515 1.00 0.00 O ATOM 1582 CB LYS A 101 0.427 12.581 -6.477 1.00 0.00 C ATOM 1583 CG LYS A 101 0.932 13.999 -6.732 1.00 0.00 C ATOM 1584 CD LYS A 101 1.775 14.111 -7.998 1.00 0.00 C ATOM 1585 CE LYS A 101 2.101 15.561 -8.327 1.00 0.00 C ATOM 1586 NZ LYS A 101 2.815 15.695 -9.618 1.00 0.00 N ATOM 0 H LYS A 101 1.247 12.966 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 101 0.857 10.649 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.175 12.136 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.499 12.652 -5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.080 14.674 -6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.524 14.328 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.700 13.549 -7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.240 13.659 -8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.178 16.140 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.712 15.984 -7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.016 16.699 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.709 15.165 -9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.222 15.316 -10.384 1.00 0.00 H new ATOM 1600 N LYS A 102 3.775 11.955 -5.979 1.00 0.00 N ATOM 1601 CA LYS A 102 5.106 11.713 -6.526 1.00 0.00 C ATOM 1602 C LYS A 102 5.493 10.264 -6.289 1.00 0.00 C ATOM 1603 O LYS A 102 6.219 9.672 -7.078 1.00 0.00 O ATOM 1604 CB LYS A 102 6.126 12.624 -5.865 1.00 0.00 C ATOM 1605 CG LYS A 102 5.959 14.098 -6.190 1.00 0.00 C ATOM 1606 CD LYS A 102 6.687 14.969 -5.173 1.00 0.00 C ATOM 1607 CE LYS A 102 8.172 14.659 -5.069 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.948 15.062 -6.272 1.00 0.00 N ATOM 0 H LYS A 102 3.758 12.594 -5.184 1.00 0.00 H new ATOM 0 HA LYS A 102 5.090 11.922 -7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.064 12.494 -4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.125 12.309 -6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.345 14.300 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.899 14.354 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.560 16.017 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.226 14.836 -4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.581 15.167 -4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.301 13.589 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.951 14.823 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.583 14.558 -7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.854 16.087 -6.418 1.00 0.00 H new ATOM 1622 N ALA A 103 4.952 9.680 -5.217 1.00 0.00 N ATOM 1623 CA ALA A 103 5.207 8.272 -4.891 1.00 0.00 C ATOM 1624 C ALA A 103 4.646 7.364 -5.972 1.00 0.00 C ATOM 1625 O ALA A 103 5.126 6.274 -6.191 1.00 0.00 O ATOM 1626 CB ALA A 103 4.615 7.883 -3.543 1.00 0.00 C ATOM 0 H ALA A 103 4.335 10.158 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 103 6.289 8.149 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.827 6.833 -3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.057 8.499 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.536 8.038 -3.561 1.00 0.00 H new ATOM 1632 N GLN A 104 3.661 7.850 -6.689 1.00 0.00 N ATOM 1633 CA GLN A 104 3.033 7.074 -7.732 1.00 0.00 C ATOM 1634 C GLN A 104 3.935 7.003 -8.956 1.00 0.00 C ATOM 1635 O GLN A 104 3.772 6.154 -9.823 1.00 0.00 O ATOM 1636 CB GLN A 104 1.674 7.650 -8.087 1.00 0.00 C ATOM 1637 CG GLN A 104 0.740 7.757 -6.897 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.646 8.181 -7.293 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -0.958 9.372 -7.351 1.00 0.00 O ATOM 1640 NE2 GLN A 104 -1.488 7.221 -7.557 1.00 0.00 N ATOM 0 H GLN A 104 3.275 8.786 -6.568 1.00 0.00 H new ATOM 0 HA GLN A 104 2.879 6.060 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.809 8.639 -8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.210 7.025 -8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.691 6.794 -6.389 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.146 8.474 -6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.187 6.248 -7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.447 7.443 -7.824 1.00 0.00 H new ATOM 1649 N MET A 105 4.910 7.880 -9.009 1.00 0.00 N ATOM 1650 CA MET A 105 5.827 7.909 -10.123 1.00 0.00 C ATOM 1651 C MET A 105 6.976 6.992 -9.875 1.00 0.00 C ATOM 1652 O MET A 105 7.693 6.653 -10.797 1.00 0.00 O ATOM 1653 CB MET A 105 6.377 9.282 -10.362 1.00 0.00 C ATOM 1654 CG MET A 105 5.331 10.333 -10.591 1.00 0.00 C ATOM 1655 SD MET A 105 6.047 11.890 -11.155 1.00 0.00 S ATOM 1656 CE MET A 105 4.562 12.838 -11.458 1.00 0.00 C ATOM 0 H MET A 105 5.088 8.584 -8.292 1.00 0.00 H new ATOM 0 HA MET A 105 5.262 7.592 -10.999 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.985 9.572 -9.505 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.039 9.250 -11.227 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.614 9.975 -11.330 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.779 10.502 -9.667 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.831 13.832 -11.814 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.956 12.334 -12.211 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.992 12.926 -10.533 1.00 0.00 H new ATOM 1666 N LEU A 106 7.134 6.572 -8.631 1.00 0.00 N ATOM 1667 CA LEU A 106 8.246 5.708 -8.215 1.00 0.00 C ATOM 1668 C LEU A 106 8.418 4.485 -9.133 1.00 0.00 C ATOM 1669 O LEU A 106 9.516 4.242 -9.606 1.00 0.00 O ATOM 1670 CB LEU A 106 8.110 5.261 -6.758 1.00 0.00 C ATOM 1671 CG LEU A 106 8.127 6.351 -5.688 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.961 5.752 -4.303 1.00 0.00 C ATOM 1673 CD2 LEU A 106 9.383 7.187 -5.756 1.00 0.00 C ATOM 0 H LEU A 106 6.497 6.817 -7.873 1.00 0.00 H new ATOM 0 HA LEU A 106 9.145 6.318 -8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.176 4.707 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.919 4.563 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 106 7.282 7.010 -5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.976 6.548 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.010 5.221 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.777 5.056 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.355 7.950 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.254 6.548 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.448 7.667 -6.733 1.00 0.00 H new ATOM 1685 N PRO A 107 7.339 3.705 -9.434 1.00 0.00 N ATOM 1686 CA PRO A 107 7.443 2.570 -10.343 1.00 0.00 C ATOM 1687 C PRO A 107 7.853 2.967 -11.759 1.00 0.00 C ATOM 1688 O PRO A 107 8.443 2.174 -12.473 1.00 0.00 O ATOM 1689 CB PRO A 107 6.052 1.937 -10.325 1.00 0.00 C ATOM 1690 CG PRO A 107 5.159 2.997 -9.810 1.00 0.00 C ATOM 1691 CD PRO A 107 5.981 3.811 -8.874 1.00 0.00 C ATOM 0 HA PRO A 107 8.227 1.884 -10.022 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.751 1.616 -11.322 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.028 1.055 -9.686 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.773 3.611 -10.624 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.298 2.567 -9.299 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.641 4.846 -8.837 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.934 3.423 -7.856 1.00 0.00 H new ATOM 1699 N ASN A 108 7.597 4.201 -12.134 1.00 0.00 N ATOM 1700 CA ASN A 108 7.944 4.667 -13.426 1.00 0.00 C ATOM 1701 C ASN A 108 9.413 5.082 -13.427 1.00 0.00 C ATOM 1702 O ASN A 108 10.184 4.679 -14.283 1.00 0.00 O ATOM 1703 CB ASN A 108 7.062 5.864 -13.800 1.00 0.00 C ATOM 1704 CG ASN A 108 5.578 5.543 -14.014 1.00 0.00 C ATOM 1705 OD1 ASN A 108 5.167 5.168 -15.101 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.754 5.736 -13.000 1.00 0.00 N ATOM 0 H ASN A 108 7.143 4.896 -11.541 1.00 0.00 H new ATOM 0 HA ASN A 108 7.788 3.874 -14.157 1.00 0.00 H new ATOM 0 HB2 ASN A 108 7.145 6.615 -13.014 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.455 6.313 -14.712 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.754 5.572 -13.117 1.00 0.00 H new ATOM 0 HD22 ASN A 108 5.117 6.049 -12.100 1.00 0.00 H new ATOM 1713 N GLN A 109 9.799 5.819 -12.395 1.00 0.00 N ATOM 1714 CA GLN A 109 11.144 6.390 -12.272 1.00 0.00 C ATOM 1715 C GLN A 109 12.183 5.331 -11.917 1.00 0.00 C ATOM 1716 O GLN A 109 13.301 5.347 -12.412 1.00 0.00 O ATOM 1717 CB GLN A 109 11.164 7.474 -11.191 1.00 0.00 C ATOM 1718 CG GLN A 109 10.119 8.566 -11.360 1.00 0.00 C ATOM 1719 CD GLN A 109 10.193 9.260 -12.695 1.00 0.00 C ATOM 1720 OE1 GLN A 109 9.539 8.853 -13.662 1.00 0.00 O ATOM 1721 NE2 GLN A 109 10.978 10.290 -12.771 1.00 0.00 N ATOM 0 H GLN A 109 9.187 6.043 -11.610 1.00 0.00 H new ATOM 0 HA GLN A 109 11.397 6.816 -13.243 1.00 0.00 H new ATOM 0 HB2 GLN A 109 11.020 7.001 -10.220 1.00 0.00 H new ATOM 0 HB3 GLN A 109 12.152 7.935 -11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 109 9.127 8.132 -11.239 1.00 0.00 H new ATOM 0 HG3 GLN A 109 10.243 9.304 -10.567 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.501 10.594 -11.950 1.00 0.00 H new ATOM 0 HE22 GLN A 109 11.072 10.795 -13.652 1.00 0.00 H new ATOM 1730 N CYS A 110 11.805 4.417 -11.057 1.00 0.00 N ATOM 1731 CA CYS A 110 12.717 3.381 -10.580 1.00 0.00 C ATOM 1732 C CYS A 110 12.701 2.203 -11.555 1.00 0.00 C ATOM 1733 O CYS A 110 13.460 1.243 -11.409 1.00 0.00 O ATOM 1734 CB CYS A 110 12.283 2.944 -9.168 1.00 0.00 C ATOM 1735 SG CYS A 110 13.510 1.998 -8.187 1.00 0.00 S ATOM 0 H CYS A 110 10.865 4.362 -10.664 1.00 0.00 H new ATOM 0 HA CYS A 110 13.736 3.764 -10.527 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.011 3.836 -8.604 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.381 2.338 -9.261 1.00 0.00 H new ATOM 1740 N ASN A 111 11.829 2.322 -12.567 1.00 0.00 N ATOM 1741 CA ASN A 111 11.631 1.323 -13.618 1.00 0.00 C ATOM 1742 C ASN A 111 11.227 -0.008 -12.998 1.00 0.00 C ATOM 1743 O ASN A 111 11.951 -0.998 -13.039 1.00 0.00 O ATOM 1744 CB ASN A 111 12.870 1.185 -14.529 1.00 0.00 C ATOM 1745 CG ASN A 111 12.591 0.375 -15.784 1.00 0.00 C ATOM 1746 OD1 ASN A 111 12.747 -0.853 -15.808 1.00 0.00 O ATOM 1747 ND2 ASN A 111 12.207 1.049 -16.835 1.00 0.00 N ATOM 0 H ASN A 111 11.228 3.139 -12.676 1.00 0.00 H new ATOM 0 HA ASN A 111 10.820 1.661 -14.263 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.219 2.178 -14.813 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.676 0.712 -13.969 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.025 0.564 -17.714 1.00 0.00 H new ATOM 0 HD22 ASN A 111 12.089 2.061 -16.777 1.00 0.00 H new ATOM 1754 N LEU A 112 10.111 0.025 -12.342 1.00 0.00 N ATOM 1755 CA LEU A 112 9.566 -1.126 -11.644 1.00 0.00 C ATOM 1756 C LEU A 112 8.573 -1.883 -12.506 1.00 0.00 C ATOM 1757 O LEU A 112 8.060 -1.337 -13.478 1.00 0.00 O ATOM 1758 CB LEU A 112 8.932 -0.708 -10.322 1.00 0.00 C ATOM 1759 CG LEU A 112 9.840 0.112 -9.409 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.157 0.430 -8.085 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.166 -0.599 -9.191 1.00 0.00 C ATOM 0 H LEU A 112 9.532 0.862 -12.267 1.00 0.00 H new ATOM 0 HA LEU A 112 10.393 -1.802 -11.428 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.033 -0.129 -10.533 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.616 -1.604 -9.787 1.00 0.00 H new ATOM 0 HG LEU A 112 10.044 1.062 -9.903 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.831 1.015 -7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.248 1.002 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.902 -0.499 -7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.798 0.002 -8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.987 -1.570 -8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.665 -0.740 -10.150 1.00 0.00 H new ATOM 1773 N GLN A 113 8.320 -3.153 -12.154 1.00 0.00 N ATOM 1774 CA GLN A 113 7.390 -4.085 -12.891 1.00 0.00 C ATOM 1775 C GLN A 113 5.910 -3.659 -12.807 1.00 0.00 C ATOM 1776 O GLN A 113 5.004 -4.488 -12.896 1.00 0.00 O ATOM 1777 CB GLN A 113 7.509 -5.500 -12.325 1.00 0.00 C ATOM 1778 CG GLN A 113 8.916 -6.041 -12.260 1.00 0.00 C ATOM 1779 CD GLN A 113 9.611 -6.109 -13.604 1.00 0.00 C ATOM 1780 OE1 GLN A 113 8.982 -6.282 -14.649 1.00 0.00 O ATOM 1781 NE2 GLN A 113 10.904 -5.968 -13.594 1.00 0.00 N ATOM 0 H GLN A 113 8.752 -3.588 -11.339 1.00 0.00 H new ATOM 0 HA GLN A 113 7.694 -4.049 -13.937 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.084 -5.511 -11.321 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.905 -6.172 -12.935 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.505 -5.415 -11.589 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.891 -7.040 -11.824 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.395 -5.826 -12.711 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.427 -5.999 -14.469 1.00 0.00 H new ATOM 1790 N CYS A 114 5.698 -2.406 -12.715 1.00 0.00 N ATOM 1791 CA CYS A 114 4.426 -1.810 -12.555 1.00 0.00 C ATOM 1792 C CYS A 114 4.540 -0.402 -13.098 1.00 0.00 C ATOM 1793 O CYS A 114 5.593 0.228 -12.956 1.00 0.00 O ATOM 1794 CB CYS A 114 4.101 -1.755 -11.076 1.00 0.00 C ATOM 1795 SG CYS A 114 3.687 -3.345 -10.236 1.00 0.00 S ATOM 0 H CYS A 114 6.454 -1.722 -12.751 1.00 0.00 H new ATOM 0 HA CYS A 114 3.646 -2.369 -13.072 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.954 -1.314 -10.560 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.260 -1.074 -10.941 1.00 0.00 H new ATOM 1800 N SER A 115 3.518 0.077 -13.715 1.00 0.00 N ATOM 1801 CA SER A 115 3.525 1.391 -14.291 1.00 0.00 C ATOM 1802 C SER A 115 2.257 2.135 -13.912 1.00 0.00 C ATOM 1803 O SER A 115 1.148 1.706 -14.243 1.00 0.00 O ATOM 1804 CB SER A 115 3.645 1.292 -15.811 1.00 0.00 C ATOM 1805 OG SER A 115 4.810 0.561 -16.190 1.00 0.00 O ATOM 0 H SER A 115 2.642 -0.430 -13.840 1.00 0.00 H new ATOM 0 HA SER A 115 4.382 1.943 -13.904 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.759 0.805 -16.217 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.684 2.293 -16.241 1.00 0.00 H new ATOM 0 HG SER A 115 4.862 0.511 -17.167 1.00 0.00 H new ATOM 1811 N ILE A 116 2.413 3.215 -13.187 1.00 0.00 N ATOM 1812 CA ILE A 116 1.282 4.017 -12.800 1.00 0.00 C ATOM 1813 C ILE A 116 1.170 5.135 -13.803 1.00 0.00 C ATOM 1814 O ILE A 116 0.354 5.035 -14.727 1.00 0.00 O ATOM 1815 CB ILE A 116 1.425 4.632 -11.381 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.840 3.576 -10.341 1.00 0.00 C ATOM 1817 CG2 ILE A 116 0.119 5.311 -10.958 1.00 0.00 C ATOM 1818 CD1 ILE A 116 0.909 2.404 -10.190 1.00 0.00 C ATOM 1819 OXT ILE A 116 1.974 6.093 -13.724 1.00 0.00 O ATOM 0 H ILE A 116 3.314 3.558 -12.853 1.00 0.00 H new ATOM 0 HA ILE A 116 0.399 3.378 -12.777 1.00 0.00 H new ATOM 0 HB ILE A 116 2.216 5.380 -11.426 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.827 3.199 -10.608 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.937 4.066 -9.372 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.236 5.737 -9.961 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -0.124 6.104 -11.665 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -0.686 4.576 -10.946 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.299 1.725 -9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.076 2.759 -9.887 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.828 1.878 -11.141 1.00 0.00 H new