USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 958 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 77 LYS NZ :NH3+ 134:sc= -0.517 (180deg=-4.26!) USER MOD Set 1.2: A 111 LYS NZ :NH3+ -137:sc= 0.178 (180deg=-0.412) USER MOD Set 2.1: A 51 ASN : amide:sc= -4.87! C(o=-10!,f=-15!) USER MOD Set 2.2: A 53 CYS SG : rot -135:sc= 0.213 USER MOD Set 2.3: A 57 THR OG1 : rot -119:sc= -0.293! USER MOD Set 2.4: A 83 MET CE :methyl 142:sc= -5.24! (180deg=-8.31!) USER MOD Set 3.1: A 27 ASN :FLIP amide:sc= -0.0336 X(o=-1.2,f=-0.79) USER MOD Set 3.2: A 32 GLN :FLIP amide:sc= -0.757 F(o=-2.3,f=-0.79) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.044 (180deg=0) USER MOD Single : A 2 SER OG : rot -90:sc= -0.405 USER MOD Single : A 3 GLN :FLIP amide:sc= -0.388 F(o=-1.1,f=-0.39) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.567 F(o=-1.3,f=-0.57) USER MOD Single : A 6 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.8) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -172:sc= -1.79 (180deg=-2.49) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -72:sc= -1.11 USER MOD Single : A 25 GLN : amide:sc= -1.05 K(o=-1.1,f=-4.8!) USER MOD Single : A 31 SER OG : rot 63:sc= 0.559 USER MOD Single : A 37 GLN : amide:sc= -0.0453 K(o=-0.045,f=-0.92) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -65:sc= 0.509 USER MOD Single : A 45 TYR OH : rot -13:sc= 0.0284 USER MOD Single : A 46 THR OG1 : rot -100:sc= 1.18 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.053) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.498 K(o=0.5,f=-0.12) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -112:sc= 1.12 USER MOD Single : A 85 ASN : amide:sc= -0.57 X(o=-0.57,f=-0.76) USER MOD Single : A 86 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.0087) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.0063) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.352 F(o=-1.2,f=-0.35) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.464 -0.399 -2.689 1.00 34.14 N ATOM 2 CA MET A 1 0.358 0.669 -1.701 1.00 62.21 C ATOM 3 C MET A 1 1.735 1.057 -1.171 1.00 32.33 C ATOM 4 O MET A 1 2.662 0.247 -1.172 1.00 74.40 O ATOM 5 CB MET A 1 -0.544 0.235 -0.544 1.00 5.13 C ATOM 6 CG MET A 1 -1.978 0.722 -0.675 1.00 65.23 C ATOM 7 SD MET A 1 -2.467 1.814 0.673 1.00 2.12 S ATOM 8 CE MET A 1 -3.956 0.999 1.246 1.00 44.42 C ATOM 0 H1 MET A 1 -0.340 -1.050 -2.584 1.00 34.14 H new ATOM 0 H2 MET A 1 0.456 0.010 -3.645 1.00 34.14 H new ATOM 0 H3 MET A 1 1.352 -0.920 -2.543 1.00 34.14 H new ATOM 0 HA MET A 1 -0.083 1.539 -2.188 1.00 62.21 H new ATOM 0 HB2 MET A 1 -0.543 -0.853 -0.482 1.00 5.13 H new ATOM 0 HB3 MET A 1 -0.126 0.608 0.391 1.00 5.13 H new ATOM 0 HG2 MET A 1 -2.094 1.247 -1.623 1.00 65.23 H new ATOM 0 HG3 MET A 1 -2.648 -0.137 -0.703 1.00 65.23 H new ATOM 0 HE1 MET A 1 -4.378 1.557 2.082 1.00 44.42 H new ATOM 0 HE2 MET A 1 -4.683 0.956 0.435 1.00 44.42 H new ATOM 0 HE3 MET A 1 -3.715 -0.013 1.571 1.00 44.42 H new ATOM 18 N SER A 2 1.861 2.300 -0.718 1.00 40.14 N ATOM 19 CA SER A 2 3.126 2.796 -0.189 1.00 11.20 C ATOM 20 C SER A 2 2.888 3.832 0.906 1.00 52.04 C ATOM 21 O SER A 2 1.760 4.021 1.360 1.00 21.04 O ATOM 22 CB SER A 2 3.968 3.407 -1.311 1.00 11.33 C ATOM 23 OG SER A 2 3.351 4.570 -1.836 1.00 71.21 O ATOM 0 H SER A 2 1.103 2.982 -0.707 1.00 40.14 H new ATOM 0 HA SER A 2 3.666 1.954 0.243 1.00 11.20 H new ATOM 0 HB2 SER A 2 4.959 3.657 -0.932 1.00 11.33 H new ATOM 0 HB3 SER A 2 4.107 2.674 -2.106 1.00 11.33 H new ATOM 0 HG SER A 2 2.761 4.321 -2.577 1.00 71.21 H new ATOM 29 N GLN A 3 3.959 4.499 1.323 1.00 12.40 N ATOM 30 CA GLN A 3 3.867 5.516 2.365 1.00 71.53 C ATOM 31 C GLN A 3 4.291 6.880 1.833 1.00 52.54 C ATOM 32 O GLN A 3 5.455 7.092 1.497 1.00 42.21 O ATOM 33 CB GLN A 3 4.737 5.129 3.562 1.00 62.02 C ATOM 34 CG GLN A 3 4.031 5.276 4.900 1.00 2.10 C ATOM 35 CD GLN A 3 3.181 6.529 4.977 1.00 44.11 C ATOM 36 OE1 GLN A 3 3.833 7.685 5.021 1.00 42.20 O flip ATOM 37 NE2 GLN A 3 1.952 6.459 4.997 1.00 43.14 N flip ATOM 0 H GLN A 3 4.900 4.354 0.956 1.00 12.40 H new ATOM 0 HA GLN A 3 2.827 5.579 2.686 1.00 71.53 H new ATOM 0 HB2 GLN A 3 5.063 4.096 3.444 1.00 62.02 H new ATOM 0 HB3 GLN A 3 5.634 5.748 3.564 1.00 62.02 H new ATOM 0 HG2 GLN A 3 3.401 4.403 5.072 1.00 2.10 H new ATOM 0 HG3 GLN A 3 4.773 5.296 5.698 1.00 2.10 H new ATOM 0 HE21 GLN A 3 1.492 5.549 4.961 1.00 43.14 H new ATOM 0 HE22 GLN A 3 1.393 7.311 5.049 1.00 43.14 H new ATOM 46 N ASN A 4 3.337 7.803 1.758 1.00 2.31 N ATOM 47 CA ASN A 4 3.612 9.148 1.266 1.00 51.24 C ATOM 48 C ASN A 4 4.323 9.982 2.327 1.00 22.43 C ATOM 49 O ASN A 4 3.717 10.845 2.962 1.00 22.23 O ATOM 50 CB ASN A 4 2.311 9.837 0.848 1.00 32.41 C ATOM 51 CG ASN A 4 1.220 9.693 1.892 1.00 71.33 C ATOM 52 OD1 ASN A 4 0.427 8.634 1.776 1.00 22.40 O flip ATOM 53 ND2 ASN A 4 1.092 10.524 2.791 1.00 32.22 N flip ATOM 0 H ASN A 4 2.367 7.644 2.032 1.00 2.31 H new ATOM 0 HA ASN A 4 4.266 9.063 0.398 1.00 51.24 H new ATOM 0 HB2 ASN A 4 2.504 10.895 0.671 1.00 32.41 H new ATOM 0 HB3 ASN A 4 1.966 9.414 -0.095 1.00 32.41 H new ATOM 0 HD21 ASN A 4 1.725 11.323 2.841 1.00 32.22 H new ATOM 0 HD22 ASN A 4 0.353 10.414 3.486 1.00 32.22 H new ATOM 60 N ARG A 5 5.612 9.717 2.514 1.00 43.14 N ATOM 61 CA ARG A 5 6.406 10.442 3.498 1.00 23.13 C ATOM 62 C ARG A 5 7.897 10.290 3.213 1.00 65.13 C ATOM 63 O ARG A 5 8.537 11.207 2.698 1.00 14.11 O ATOM 64 CB ARG A 5 6.092 9.939 4.908 1.00 23.44 C ATOM 65 CG ARG A 5 6.867 10.660 5.999 1.00 22.21 C ATOM 66 CD ARG A 5 6.607 10.046 7.366 1.00 12.40 C ATOM 67 NE ARG A 5 7.832 9.916 8.150 1.00 0.30 N ATOM 68 CZ ARG A 5 7.847 9.727 9.465 1.00 53.42 C ATOM 69 NH1 ARG A 5 6.708 9.646 10.139 1.00 51.41 N ATOM 70 NH2 ARG A 5 9.002 9.618 10.108 1.00 42.52 N ATOM 0 H ARG A 5 6.128 9.005 1.997 1.00 43.14 H new ATOM 0 HA ARG A 5 6.147 11.498 3.430 1.00 23.13 H new ATOM 0 HB2 ARG A 5 5.025 10.054 5.096 1.00 23.44 H new ATOM 0 HB3 ARG A 5 6.312 8.873 4.962 1.00 23.44 H new ATOM 0 HG2 ARG A 5 7.933 10.619 5.777 1.00 22.21 H new ATOM 0 HG3 ARG A 5 6.585 11.713 6.012 1.00 22.21 H new ATOM 0 HD2 ARG A 5 5.892 10.663 7.910 1.00 12.40 H new ATOM 0 HD3 ARG A 5 6.151 9.064 7.241 1.00 12.40 H new ATOM 0 HE ARG A 5 8.725 9.973 7.661 1.00 0.30 H new ATOM 0 HH11 ARG A 5 5.818 9.729 9.648 1.00 51.41 H new ATOM 0 HH12 ARG A 5 6.722 9.501 11.149 1.00 51.41 H new ATOM 0 HH21 ARG A 5 9.880 9.679 9.593 1.00 42.52 H new ATOM 0 HH22 ARG A 5 9.012 9.473 11.118 1.00 42.52 H new ATOM 84 N GLN A 6 8.444 9.127 3.551 1.00 71.52 N ATOM 85 CA GLN A 6 9.860 8.856 3.332 1.00 72.34 C ATOM 86 C GLN A 6 10.061 7.477 2.711 1.00 53.21 C ATOM 87 O GLN A 6 9.229 6.584 2.875 1.00 74.25 O ATOM 88 CB GLN A 6 10.629 8.951 4.650 1.00 1.33 C ATOM 89 CG GLN A 6 10.713 7.633 5.403 1.00 50.13 C ATOM 90 CD GLN A 6 9.349 7.040 5.695 1.00 73.04 C ATOM 91 OE1 GLN A 6 8.427 7.746 6.105 1.00 71.03 O ATOM 92 NE2 GLN A 6 9.212 5.736 5.484 1.00 25.13 N ATOM 0 H GLN A 6 7.928 8.357 3.978 1.00 71.52 H new ATOM 0 HA GLN A 6 10.244 9.606 2.640 1.00 72.34 H new ATOM 0 HB2 GLN A 6 11.638 9.309 4.447 1.00 1.33 H new ATOM 0 HB3 GLN A 6 10.150 9.694 5.288 1.00 1.33 H new ATOM 0 HG2 GLN A 6 11.297 6.922 4.819 1.00 50.13 H new ATOM 0 HG3 GLN A 6 11.246 7.788 6.341 1.00 50.13 H new ATOM 0 HE21 GLN A 6 10.003 5.189 5.144 1.00 25.13 H new ATOM 0 HE22 GLN A 6 8.316 5.282 5.662 1.00 25.13 H new ATOM 101 N LEU A 7 11.169 7.311 1.998 1.00 60.12 N ATOM 102 CA LEU A 7 11.480 6.040 1.352 1.00 54.44 C ATOM 103 C LEU A 7 12.681 5.373 2.012 1.00 25.22 C ATOM 104 O LEU A 7 13.762 5.959 2.098 1.00 75.13 O ATOM 105 CB LEU A 7 11.757 6.257 -0.137 1.00 53.31 C ATOM 106 CG LEU A 7 10.580 6.010 -1.082 1.00 11.52 C ATOM 107 CD1 LEU A 7 10.449 4.528 -1.395 1.00 51.13 C ATOM 108 CD2 LEU A 7 9.290 6.546 -0.478 1.00 32.21 C ATOM 0 H LEU A 7 11.867 8.040 1.852 1.00 60.12 H new ATOM 0 HA LEU A 7 10.617 5.383 1.463 1.00 54.44 H new ATOM 0 HB2 LEU A 7 12.100 7.282 -0.277 1.00 53.31 H new ATOM 0 HB3 LEU A 7 12.578 5.603 -0.432 1.00 53.31 H new ATOM 0 HG LEU A 7 10.769 6.542 -2.015 1.00 11.52 H new ATOM 0 HD11 LEU A 7 9.606 4.371 -2.069 1.00 51.13 H new ATOM 0 HD12 LEU A 7 11.364 4.174 -1.870 1.00 51.13 H new ATOM 0 HD13 LEU A 7 10.283 3.974 -0.471 1.00 51.13 H new ATOM 0 HD21 LEU A 7 8.463 6.362 -1.164 1.00 32.21 H new ATOM 0 HD22 LEU A 7 9.095 6.043 0.469 1.00 32.21 H new ATOM 0 HD23 LEU A 7 9.387 7.618 -0.306 1.00 32.21 H new ATOM 120 N LEU A 8 12.488 4.143 2.476 1.00 15.33 N ATOM 121 CA LEU A 8 13.556 3.394 3.128 1.00 64.14 C ATOM 122 C LEU A 8 14.818 3.389 2.271 1.00 43.13 C ATOM 123 O LEU A 8 15.831 3.987 2.635 1.00 12.33 O ATOM 124 CB LEU A 8 13.106 1.958 3.401 1.00 70.24 C ATOM 125 CG LEU A 8 13.929 1.180 4.428 1.00 64.13 C ATOM 126 CD1 LEU A 8 13.154 -0.028 4.929 1.00 72.40 C ATOM 127 CD2 LEU A 8 15.261 0.750 3.829 1.00 51.41 C ATOM 0 H LEU A 8 11.601 3.643 2.413 1.00 15.33 H new ATOM 0 HA LEU A 8 13.783 3.883 4.075 1.00 64.14 H new ATOM 0 HB2 LEU A 8 12.070 1.981 3.738 1.00 70.24 H new ATOM 0 HB3 LEU A 8 13.123 1.408 2.460 1.00 70.24 H new ATOM 0 HG LEU A 8 14.129 1.835 5.276 1.00 64.13 H new ATOM 0 HD11 LEU A 8 13.756 -0.569 5.659 1.00 72.40 H new ATOM 0 HD12 LEU A 8 12.227 0.303 5.397 1.00 72.40 H new ATOM 0 HD13 LEU A 8 12.923 -0.685 4.091 1.00 72.40 H new ATOM 0 HD21 LEU A 8 15.834 0.198 4.574 1.00 51.41 H new ATOM 0 HD22 LEU A 8 15.082 0.113 2.963 1.00 51.41 H new ATOM 0 HD23 LEU A 8 15.823 1.632 3.520 1.00 51.41 H new ATOM 139 N TYR A 9 14.750 2.712 1.130 1.00 53.21 N ATOM 140 CA TYR A 9 15.887 2.629 0.221 1.00 54.32 C ATOM 141 C TYR A 9 15.523 1.846 -1.037 1.00 33.23 C ATOM 142 O TYR A 9 15.885 0.681 -1.200 1.00 64.31 O ATOM 143 CB TYR A 9 17.078 1.971 0.919 1.00 74.42 C ATOM 144 CG TYR A 9 18.167 2.945 1.307 1.00 71.14 C ATOM 145 CD1 TYR A 9 18.762 3.766 0.357 1.00 52.14 C ATOM 146 CD2 TYR A 9 18.602 3.044 2.622 1.00 31.44 C ATOM 147 CE1 TYR A 9 19.758 4.657 0.706 1.00 11.30 C ATOM 148 CE2 TYR A 9 19.596 3.933 2.981 1.00 22.01 C ATOM 149 CZ TYR A 9 20.171 4.737 2.019 1.00 2.45 C ATOM 150 OH TYR A 9 21.163 5.624 2.373 1.00 60.44 O ATOM 0 H TYR A 9 13.919 2.213 0.813 1.00 53.21 H new ATOM 0 HA TYR A 9 16.161 3.643 -0.071 1.00 54.32 H new ATOM 0 HB2 TYR A 9 16.726 1.458 1.814 1.00 74.42 H new ATOM 0 HB3 TYR A 9 17.500 1.211 0.261 1.00 74.42 H new ATOM 0 HD1 TYR A 9 18.440 3.706 -0.672 1.00 52.14 H new ATOM 0 HD2 TYR A 9 18.155 2.415 3.377 1.00 31.44 H new ATOM 0 HE1 TYR A 9 20.211 5.287 -0.045 1.00 11.30 H new ATOM 0 HE2 TYR A 9 19.921 3.998 4.009 1.00 22.01 H new ATOM 0 HH TYR A 9 21.335 5.556 3.335 1.00 60.44 H new ATOM 160 N PRO A 10 14.788 2.500 -1.948 1.00 42.34 N ATOM 161 CA PRO A 10 14.359 1.886 -3.208 1.00 43.14 C ATOM 162 C PRO A 10 15.523 1.656 -4.167 1.00 12.40 C ATOM 163 O PRO A 10 16.196 2.601 -4.578 1.00 42.42 O ATOM 164 CB PRO A 10 13.383 2.912 -3.789 1.00 12.01 C ATOM 165 CG PRO A 10 13.801 4.212 -3.194 1.00 3.11 C ATOM 166 CD PRO A 10 14.320 3.891 -1.820 1.00 24.43 C ATOM 0 HA PRO A 10 13.920 0.901 -3.052 1.00 43.14 H new ATOM 0 HB2 PRO A 10 13.438 2.939 -4.877 1.00 12.01 H new ATOM 0 HB3 PRO A 10 12.353 2.670 -3.528 1.00 12.01 H new ATOM 0 HG2 PRO A 10 14.571 4.689 -3.800 1.00 3.11 H new ATOM 0 HG3 PRO A 10 12.961 4.905 -3.142 1.00 3.11 H new ATOM 0 HD2 PRO A 10 15.128 4.562 -1.529 1.00 24.43 H new ATOM 0 HD3 PRO A 10 13.540 3.985 -1.064 1.00 24.43 H new ATOM 174 N ARG A 11 15.753 0.396 -4.519 1.00 62.13 N ATOM 175 CA ARG A 11 16.836 0.043 -5.429 1.00 62.32 C ATOM 176 C ARG A 11 16.873 -1.463 -5.671 1.00 64.44 C ATOM 177 O ARG A 11 17.162 -1.916 -6.778 1.00 64.25 O ATOM 178 CB ARG A 11 18.178 0.513 -4.865 1.00 64.43 C ATOM 179 CG ARG A 11 18.349 0.227 -3.382 1.00 44.02 C ATOM 180 CD ARG A 11 19.807 -0.023 -3.028 1.00 32.44 C ATOM 181 NE ARG A 11 19.946 -0.930 -1.891 1.00 14.42 N ATOM 182 CZ ARG A 11 21.079 -1.097 -1.219 1.00 30.04 C ATOM 183 NH1 ARG A 11 22.166 -0.423 -1.567 1.00 1.20 N ATOM 184 NH2 ARG A 11 21.126 -1.940 -0.195 1.00 23.10 N ATOM 0 H ARG A 11 15.204 -0.398 -4.188 1.00 62.13 H new ATOM 0 HA ARG A 11 16.655 0.542 -6.381 1.00 62.32 H new ATOM 0 HB2 ARG A 11 18.984 0.027 -5.415 1.00 64.43 H new ATOM 0 HB3 ARG A 11 18.278 1.585 -5.034 1.00 64.43 H new ATOM 0 HG2 ARG A 11 17.972 1.069 -2.802 1.00 44.02 H new ATOM 0 HG3 ARG A 11 17.752 -0.643 -3.107 1.00 44.02 H new ATOM 0 HD2 ARG A 11 20.323 -0.442 -3.892 1.00 32.44 H new ATOM 0 HD3 ARG A 11 20.292 0.925 -2.797 1.00 32.44 H new ATOM 0 HE ARG A 11 19.128 -1.464 -1.597 1.00 14.42 H new ATOM 0 HH11 ARG A 11 22.134 0.226 -2.353 1.00 1.20 H new ATOM 0 HH12 ARG A 11 23.035 -0.554 -1.049 1.00 1.20 H new ATOM 0 HH21 ARG A 11 20.291 -2.460 0.076 1.00 23.10 H new ATOM 0 HH22 ARG A 11 21.997 -2.068 0.321 1.00 23.10 H new ATOM 198 N GLU A 12 16.579 -2.233 -4.628 1.00 44.00 N ATOM 199 CA GLU A 12 16.581 -3.688 -4.728 1.00 51.32 C ATOM 200 C GLU A 12 15.695 -4.155 -5.880 1.00 0.34 C ATOM 201 O GLU A 12 15.933 -5.207 -6.471 1.00 71.11 O ATOM 202 CB GLU A 12 16.102 -4.312 -3.416 1.00 13.11 C ATOM 203 CG GLU A 12 16.319 -5.814 -3.341 1.00 41.22 C ATOM 204 CD GLU A 12 17.654 -6.180 -2.722 1.00 32.04 C ATOM 205 OE1 GLU A 12 17.731 -6.246 -1.477 1.00 0.22 O ATOM 206 OE2 GLU A 12 18.620 -6.400 -3.481 1.00 24.44 O ATOM 0 H GLU A 12 16.337 -1.874 -3.705 1.00 44.00 H new ATOM 0 HA GLU A 12 17.603 -4.012 -4.924 1.00 51.32 H new ATOM 0 HB2 GLU A 12 16.624 -3.836 -2.586 1.00 13.11 H new ATOM 0 HB3 GLU A 12 15.040 -4.100 -3.289 1.00 13.11 H new ATOM 0 HG2 GLU A 12 15.516 -6.265 -2.757 1.00 41.22 H new ATOM 0 HG3 GLU A 12 16.260 -6.237 -4.344 1.00 41.22 H new ATOM 213 N GLU A 13 14.673 -3.364 -6.190 1.00 53.14 N ATOM 214 CA GLU A 13 13.751 -3.697 -7.270 1.00 34.23 C ATOM 215 C GLU A 13 14.242 -3.133 -8.599 1.00 44.44 C ATOM 216 O GLU A 13 14.045 -3.737 -9.653 1.00 51.21 O ATOM 217 CB GLU A 13 12.352 -3.158 -6.960 1.00 63.44 C ATOM 218 CG GLU A 13 12.305 -1.649 -6.794 1.00 12.14 C ATOM 219 CD GLU A 13 11.835 -0.938 -8.048 1.00 13.13 C ATOM 220 OE1 GLU A 13 11.821 -1.576 -9.121 1.00 72.40 O ATOM 221 OE2 GLU A 13 11.481 0.256 -7.956 1.00 41.13 O ATOM 0 H GLU A 13 14.462 -2.489 -5.710 1.00 53.14 H new ATOM 0 HA GLU A 13 13.705 -4.783 -7.352 1.00 34.23 H new ATOM 0 HB2 GLU A 13 11.674 -3.448 -7.763 1.00 63.44 H new ATOM 0 HB3 GLU A 13 11.985 -3.627 -6.047 1.00 63.44 H new ATOM 0 HG2 GLU A 13 11.639 -1.399 -5.968 1.00 12.14 H new ATOM 0 HG3 GLU A 13 13.297 -1.286 -6.525 1.00 12.14 H new ATOM 228 N MET A 14 14.883 -1.970 -8.541 1.00 4.11 N ATOM 229 CA MET A 14 15.404 -1.324 -9.740 1.00 42.30 C ATOM 230 C MET A 14 16.256 -2.293 -10.554 1.00 34.02 C ATOM 231 O MET A 14 16.227 -2.277 -11.784 1.00 63.15 O ATOM 232 CB MET A 14 16.231 -0.093 -9.364 1.00 11.43 C ATOM 233 CG MET A 14 15.400 1.169 -9.197 1.00 3.43 C ATOM 234 SD MET A 14 16.304 2.491 -8.368 1.00 0.14 S ATOM 235 CE MET A 14 15.072 3.792 -8.362 1.00 24.52 C ATOM 0 H MET A 14 15.054 -1.456 -7.677 1.00 4.11 H new ATOM 0 HA MET A 14 14.557 -1.012 -10.350 1.00 42.30 H new ATOM 0 HB2 MET A 14 16.764 -0.293 -8.434 1.00 11.43 H new ATOM 0 HB3 MET A 14 16.985 0.077 -10.133 1.00 11.43 H new ATOM 0 HG2 MET A 14 15.073 1.517 -10.177 1.00 3.43 H new ATOM 0 HG3 MET A 14 14.502 0.935 -8.626 1.00 3.43 H new ATOM 0 HE1 MET A 14 15.524 4.720 -8.012 1.00 24.52 H new ATOM 0 HE2 MET A 14 14.688 3.934 -9.372 1.00 24.52 H new ATOM 0 HE3 MET A 14 14.253 3.514 -7.698 1.00 24.52 H new ATOM 245 N VAL A 15 17.013 -3.136 -9.859 1.00 33.03 N ATOM 246 CA VAL A 15 17.872 -4.113 -10.517 1.00 74.01 C ATOM 247 C VAL A 15 17.050 -5.240 -11.134 1.00 3.41 C ATOM 248 O VAL A 15 17.443 -5.828 -12.141 1.00 71.22 O ATOM 249 CB VAL A 15 18.892 -4.716 -9.534 1.00 5.22 C ATOM 250 CG1 VAL A 15 19.749 -3.621 -8.915 1.00 73.32 C ATOM 251 CG2 VAL A 15 18.182 -5.521 -8.456 1.00 63.45 C ATOM 0 H VAL A 15 17.049 -3.162 -8.840 1.00 33.03 H new ATOM 0 HA VAL A 15 18.407 -3.584 -11.305 1.00 74.01 H new ATOM 0 HB VAL A 15 19.547 -5.390 -10.086 1.00 5.22 H new ATOM 0 HG11 VAL A 15 20.464 -4.066 -8.223 1.00 73.32 H new ATOM 0 HG12 VAL A 15 20.287 -3.091 -9.702 1.00 73.32 H new ATOM 0 HG13 VAL A 15 19.111 -2.920 -8.377 1.00 73.32 H new ATOM 0 HG21 VAL A 15 18.918 -5.940 -7.770 1.00 63.45 H new ATOM 0 HG22 VAL A 15 17.502 -4.871 -7.905 1.00 63.45 H new ATOM 0 HG23 VAL A 15 17.616 -6.330 -8.919 1.00 63.45 H new ATOM 261 N SER A 16 15.907 -5.534 -10.523 1.00 23.43 N ATOM 262 CA SER A 16 15.031 -6.593 -11.010 1.00 20.22 C ATOM 263 C SER A 16 14.607 -6.328 -12.451 1.00 43.42 C ATOM 264 O SER A 16 14.666 -7.217 -13.302 1.00 12.42 O ATOM 265 CB SER A 16 13.795 -6.712 -10.117 1.00 33.34 C ATOM 266 OG SER A 16 14.161 -6.930 -8.765 1.00 40.30 O ATOM 0 H SER A 16 15.566 -5.054 -9.690 1.00 23.43 H new ATOM 0 HA SER A 16 15.585 -7.531 -10.979 1.00 20.22 H new ATOM 0 HB2 SER A 16 13.199 -5.803 -10.193 1.00 33.34 H new ATOM 0 HB3 SER A 16 13.169 -7.534 -10.465 1.00 33.34 H new ATOM 0 HG SER A 16 13.353 -7.001 -8.215 1.00 40.30 H new ATOM 272 N LEU A 17 14.181 -5.098 -12.719 1.00 35.44 N ATOM 273 CA LEU A 17 13.746 -4.713 -14.057 1.00 64.51 C ATOM 274 C LEU A 17 14.846 -4.972 -15.082 1.00 22.32 C ATOM 275 O LEU A 17 14.710 -5.834 -15.951 1.00 15.33 O ATOM 276 CB LEU A 17 13.349 -3.237 -14.081 1.00 11.54 C ATOM 277 CG LEU A 17 12.245 -2.823 -13.107 1.00 53.01 C ATOM 278 CD1 LEU A 17 11.321 -3.996 -12.818 1.00 25.25 C ATOM 279 CD2 LEU A 17 12.845 -2.284 -11.817 1.00 45.42 C ATOM 0 H LEU A 17 14.128 -4.350 -12.027 1.00 35.44 H new ATOM 0 HA LEU A 17 12.879 -5.320 -14.319 1.00 64.51 H new ATOM 0 HB2 LEU A 17 14.236 -2.639 -13.869 1.00 11.54 H new ATOM 0 HB3 LEU A 17 13.028 -2.984 -15.092 1.00 11.54 H new ATOM 0 HG LEU A 17 11.658 -2.030 -13.570 1.00 53.01 H new ATOM 0 HD11 LEU A 17 10.542 -3.683 -12.123 1.00 25.25 H new ATOM 0 HD12 LEU A 17 10.863 -4.336 -13.747 1.00 25.25 H new ATOM 0 HD13 LEU A 17 11.895 -4.811 -12.376 1.00 25.25 H new ATOM 0 HD21 LEU A 17 12.044 -1.995 -11.136 1.00 45.42 H new ATOM 0 HD22 LEU A 17 13.457 -3.056 -11.350 1.00 45.42 H new ATOM 0 HD23 LEU A 17 13.464 -1.415 -12.039 1.00 45.42 H new ATOM 291 N VAL A 18 15.938 -4.222 -14.973 1.00 21.13 N ATOM 292 CA VAL A 18 17.063 -4.372 -15.887 1.00 65.44 C ATOM 293 C VAL A 18 17.492 -5.831 -15.997 1.00 34.41 C ATOM 294 O VAL A 18 17.947 -6.278 -17.050 1.00 0.01 O ATOM 295 CB VAL A 18 18.270 -3.527 -15.437 1.00 33.21 C ATOM 296 CG1 VAL A 18 18.806 -4.029 -14.105 1.00 13.13 C ATOM 297 CG2 VAL A 18 19.358 -3.544 -16.499 1.00 62.24 C ATOM 0 H VAL A 18 16.067 -3.504 -14.260 1.00 21.13 H new ATOM 0 HA VAL A 18 16.726 -4.020 -16.862 1.00 65.44 H new ATOM 0 HB VAL A 18 17.941 -2.497 -15.304 1.00 33.21 H new ATOM 0 HG11 VAL A 18 19.658 -3.420 -13.803 1.00 13.13 H new ATOM 0 HG12 VAL A 18 18.024 -3.959 -13.349 1.00 13.13 H new ATOM 0 HG13 VAL A 18 19.120 -5.068 -14.207 1.00 13.13 H new ATOM 0 HG21 VAL A 18 20.203 -2.942 -16.164 1.00 62.24 H new ATOM 0 HG22 VAL A 18 19.687 -4.570 -16.666 1.00 62.24 H new ATOM 0 HG23 VAL A 18 18.965 -3.133 -17.429 1.00 62.24 H new ATOM 307 N ARG A 19 17.342 -6.570 -14.902 1.00 71.02 N ATOM 308 CA ARG A 19 17.714 -7.979 -14.875 1.00 31.43 C ATOM 309 C ARG A 19 16.731 -8.817 -15.688 1.00 2.01 C ATOM 310 O ARG A 19 17.122 -9.771 -16.361 1.00 52.41 O ATOM 311 CB ARG A 19 17.762 -8.488 -13.433 1.00 4.03 C ATOM 312 CG ARG A 19 19.066 -8.170 -12.718 1.00 54.52 C ATOM 313 CD ARG A 19 18.956 -8.421 -11.222 1.00 45.34 C ATOM 314 NE ARG A 19 18.365 -9.723 -10.928 1.00 21.13 N ATOM 315 CZ ARG A 19 19.011 -10.874 -11.078 1.00 33.25 C ATOM 316 NH1 ARG A 19 20.262 -10.884 -11.516 1.00 20.13 N ATOM 317 NH2 ARG A 19 18.405 -12.019 -10.788 1.00 52.32 N ATOM 0 H ARG A 19 16.966 -6.216 -14.023 1.00 71.02 H new ATOM 0 HA ARG A 19 18.704 -8.076 -15.321 1.00 31.43 H new ATOM 0 HB2 ARG A 19 16.935 -8.050 -12.874 1.00 4.03 H new ATOM 0 HB3 ARG A 19 17.611 -9.567 -13.432 1.00 4.03 H new ATOM 0 HG2 ARG A 19 19.868 -8.781 -13.133 1.00 54.52 H new ATOM 0 HG3 ARG A 19 19.335 -7.128 -12.895 1.00 54.52 H new ATOM 0 HD2 ARG A 19 19.946 -8.362 -10.771 1.00 45.34 H new ATOM 0 HD3 ARG A 19 18.351 -7.637 -10.766 1.00 45.34 H new ATOM 0 HE ARG A 19 17.403 -9.750 -10.589 1.00 21.13 H new ATOM 0 HH11 ARG A 19 20.731 -10.006 -11.739 1.00 20.13 H new ATOM 0 HH12 ARG A 19 20.755 -11.769 -11.630 1.00 20.13 H new ATOM 0 HH21 ARG A 19 17.443 -12.015 -10.450 1.00 52.32 H new ATOM 0 HH22 ARG A 19 18.902 -12.902 -10.903 1.00 52.32 H new ATOM 331 N SER A 20 15.454 -8.454 -15.620 1.00 4.11 N ATOM 332 CA SER A 20 14.415 -9.174 -16.346 1.00 61.20 C ATOM 333 C SER A 20 14.655 -9.103 -17.851 1.00 63.30 C ATOM 334 O SER A 20 14.296 -10.018 -18.593 1.00 35.41 O ATOM 335 CB SER A 20 13.037 -8.600 -16.010 1.00 44.25 C ATOM 336 OG SER A 20 12.582 -7.735 -17.036 1.00 53.14 O ATOM 0 H SER A 20 15.114 -7.665 -15.069 1.00 4.11 H new ATOM 0 HA SER A 20 14.450 -10.219 -16.039 1.00 61.20 H new ATOM 0 HB2 SER A 20 12.324 -9.413 -15.873 1.00 44.25 H new ATOM 0 HB3 SER A 20 13.086 -8.056 -15.067 1.00 44.25 H new ATOM 0 HG SER A 20 13.093 -6.899 -17.010 1.00 53.14 H new ATOM 342 N LEU A 21 15.266 -8.010 -18.295 1.00 72.33 N ATOM 343 CA LEU A 21 15.555 -7.818 -19.712 1.00 43.01 C ATOM 344 C LEU A 21 17.032 -8.062 -20.004 1.00 44.21 C ATOM 345 O LEU A 21 17.868 -8.028 -19.100 1.00 72.04 O ATOM 346 CB LEU A 21 15.165 -6.404 -20.145 1.00 54.13 C ATOM 347 CG LEU A 21 16.043 -5.272 -19.612 1.00 2.32 C ATOM 348 CD1 LEU A 21 16.785 -4.590 -20.751 1.00 11.32 C ATOM 349 CD2 LEU A 21 15.204 -4.264 -18.840 1.00 51.22 C ATOM 0 H LEU A 21 15.571 -7.244 -17.695 1.00 72.33 H new ATOM 0 HA LEU A 21 14.967 -8.540 -20.279 1.00 43.01 H new ATOM 0 HB2 LEU A 21 15.176 -6.363 -21.234 1.00 54.13 H new ATOM 0 HB3 LEU A 21 14.138 -6.219 -19.830 1.00 54.13 H new ATOM 0 HG LEU A 21 16.779 -5.699 -18.931 1.00 2.32 H new ATOM 0 HD11 LEU A 21 17.405 -3.787 -20.352 1.00 11.32 H new ATOM 0 HD12 LEU A 21 17.417 -5.317 -21.261 1.00 11.32 H new ATOM 0 HD13 LEU A 21 16.066 -4.176 -21.458 1.00 11.32 H new ATOM 0 HD21 LEU A 21 15.846 -3.465 -18.468 1.00 51.22 H new ATOM 0 HD22 LEU A 21 14.445 -3.842 -19.499 1.00 51.22 H new ATOM 0 HD23 LEU A 21 14.720 -4.761 -18.000 1.00 51.22 H new ATOM 361 N ASP A 22 17.347 -8.305 -21.272 1.00 22.15 N ATOM 362 CA ASP A 22 18.724 -8.551 -21.684 1.00 22.13 C ATOM 363 C ASP A 22 18.793 -8.904 -23.166 1.00 71.12 C ATOM 364 O ASP A 22 18.712 -10.074 -23.540 1.00 72.31 O ATOM 365 CB ASP A 22 19.335 -9.678 -20.849 1.00 62.15 C ATOM 366 CG ASP A 22 20.591 -9.243 -20.120 1.00 13.03 C ATOM 367 OD1 ASP A 22 21.645 -9.118 -20.777 1.00 1.23 O ATOM 368 OD2 ASP A 22 20.519 -9.028 -18.891 1.00 62.43 O ATOM 0 H ASP A 22 16.667 -8.337 -22.032 1.00 22.15 H new ATOM 0 HA ASP A 22 19.295 -7.637 -21.520 1.00 22.13 H new ATOM 0 HB2 ASP A 22 18.600 -10.028 -20.124 1.00 62.15 H new ATOM 0 HB3 ASP A 22 19.569 -10.522 -21.498 1.00 62.15 H new ATOM 373 N ARG A 23 18.942 -7.885 -24.006 1.00 14.33 N ATOM 374 CA ARG A 23 19.019 -8.087 -25.447 1.00 73.24 C ATOM 375 C ARG A 23 19.304 -6.772 -26.167 1.00 23.13 C ATOM 376 O ARG A 23 18.461 -6.232 -26.883 1.00 21.10 O ATOM 377 CB ARG A 23 17.715 -8.693 -25.969 1.00 73.42 C ATOM 378 CG ARG A 23 17.880 -9.469 -27.266 1.00 34.12 C ATOM 379 CD ARG A 23 18.810 -10.659 -27.089 1.00 2.32 C ATOM 380 NE ARG A 23 18.495 -11.426 -25.887 1.00 22.02 N ATOM 381 CZ ARG A 23 17.545 -12.352 -25.834 1.00 75.34 C ATOM 382 NH1 ARG A 23 16.820 -12.625 -26.911 1.00 20.12 N ATOM 383 NH2 ARG A 23 17.317 -13.008 -24.704 1.00 24.44 N ATOM 0 H ARG A 23 19.012 -6.911 -23.713 1.00 14.33 H new ATOM 0 HA ARG A 23 19.839 -8.777 -25.648 1.00 73.24 H new ATOM 0 HB2 ARG A 23 17.303 -9.356 -25.209 1.00 73.42 H new ATOM 0 HB3 ARG A 23 16.989 -7.894 -26.123 1.00 73.42 H new ATOM 0 HG2 ARG A 23 16.906 -9.815 -27.610 1.00 34.12 H new ATOM 0 HG3 ARG A 23 18.275 -8.809 -28.038 1.00 34.12 H new ATOM 0 HD2 ARG A 23 18.739 -11.308 -27.962 1.00 2.32 H new ATOM 0 HD3 ARG A 23 19.841 -10.309 -27.036 1.00 2.32 H new ATOM 0 HE ARG A 23 19.035 -11.240 -25.042 1.00 22.02 H new ATOM 0 HH11 ARG A 23 16.992 -12.123 -27.782 1.00 20.12 H new ATOM 0 HH12 ARG A 23 16.091 -13.337 -26.868 1.00 20.12 H new ATOM 0 HH21 ARG A 23 17.872 -12.801 -23.873 1.00 24.44 H new ATOM 0 HH22 ARG A 23 16.587 -13.719 -24.666 1.00 24.44 H new ATOM 397 N PRO A 24 20.522 -6.243 -25.972 1.00 75.22 N ATOM 398 CA PRO A 24 20.947 -4.985 -26.594 1.00 35.44 C ATOM 399 C PRO A 24 21.138 -5.119 -28.100 1.00 53.25 C ATOM 400 O PRO A 24 22.259 -5.283 -28.580 1.00 70.22 O ATOM 401 CB PRO A 24 22.283 -4.686 -25.909 1.00 53.45 C ATOM 402 CG PRO A 24 22.792 -6.016 -25.474 1.00 0.04 C ATOM 403 CD PRO A 24 21.577 -6.833 -25.131 1.00 52.22 C ATOM 0 HA PRO A 24 20.204 -4.197 -26.472 1.00 35.44 H new ATOM 0 HB2 PRO A 24 22.979 -4.200 -26.593 1.00 53.45 H new ATOM 0 HB3 PRO A 24 22.151 -4.016 -25.060 1.00 53.45 H new ATOM 0 HG2 PRO A 24 23.370 -6.491 -26.267 1.00 0.04 H new ATOM 0 HG3 PRO A 24 23.452 -5.918 -24.612 1.00 0.04 H new ATOM 0 HD2 PRO A 24 21.726 -7.889 -25.355 1.00 52.22 H new ATOM 0 HD3 PRO A 24 21.332 -6.764 -24.071 1.00 52.22 H new ATOM 411 N GLN A 25 20.036 -5.046 -28.841 1.00 22.42 N ATOM 412 CA GLN A 25 20.084 -5.159 -30.294 1.00 22.53 C ATOM 413 C GLN A 25 20.966 -4.070 -30.896 1.00 31.33 C ATOM 414 O GLN A 25 21.850 -4.351 -31.704 1.00 22.52 O ATOM 415 CB GLN A 25 18.674 -5.073 -30.880 1.00 10.51 C ATOM 416 CG GLN A 25 17.778 -6.235 -30.484 1.00 51.02 C ATOM 417 CD GLN A 25 18.261 -7.560 -31.041 1.00 14.21 C ATOM 418 OE1 GLN A 25 18.371 -8.548 -30.315 1.00 32.30 O ATOM 419 NE2 GLN A 25 18.552 -7.587 -32.336 1.00 74.23 N ATOM 0 H GLN A 25 19.100 -4.909 -28.459 1.00 22.42 H new ATOM 0 HA GLN A 25 20.515 -6.129 -30.544 1.00 22.53 H new ATOM 0 HB2 GLN A 25 18.211 -4.141 -30.555 1.00 10.51 H new ATOM 0 HB3 GLN A 25 18.743 -5.033 -31.967 1.00 10.51 H new ATOM 0 HG2 GLN A 25 17.730 -6.298 -29.397 1.00 51.02 H new ATOM 0 HG3 GLN A 25 16.765 -6.044 -30.837 1.00 51.02 H new ATOM 0 HE21 GLN A 25 18.446 -6.744 -32.900 1.00 74.23 H new ATOM 0 HE22 GLN A 25 18.882 -8.451 -32.767 1.00 74.23 H new ATOM 428 N GLU A 26 20.718 -2.827 -30.496 1.00 51.23 N ATOM 429 CA GLU A 26 21.489 -1.696 -30.998 1.00 43.23 C ATOM 430 C GLU A 26 22.858 -1.630 -30.326 1.00 52.43 C ATOM 431 O GLU A 26 23.883 -1.506 -30.994 1.00 65.23 O ATOM 432 CB GLU A 26 20.730 -0.388 -30.764 1.00 62.12 C ATOM 433 CG GLU A 26 20.173 0.228 -32.036 1.00 41.43 C ATOM 434 CD GLU A 26 21.128 1.221 -32.671 1.00 24.43 C ATOM 435 OE1 GLU A 26 22.217 0.796 -33.111 1.00 42.15 O ATOM 436 OE2 GLU A 26 20.788 2.421 -32.726 1.00 71.41 O ATOM 0 H GLU A 26 19.990 -2.578 -29.826 1.00 51.23 H new ATOM 0 HA GLU A 26 21.635 -1.836 -32.069 1.00 43.23 H new ATOM 0 HB2 GLU A 26 19.910 -0.573 -30.070 1.00 62.12 H new ATOM 0 HB3 GLU A 26 21.397 0.329 -30.285 1.00 62.12 H new ATOM 0 HG2 GLU A 26 19.950 -0.564 -32.751 1.00 41.43 H new ATOM 0 HG3 GLU A 26 19.231 0.729 -31.811 1.00 41.43 H new ATOM 443 N ASN A 27 22.864 -1.712 -29.000 1.00 12.02 N ATOM 444 CA ASN A 27 24.105 -1.660 -28.236 1.00 63.34 C ATOM 445 C ASN A 27 24.949 -0.458 -28.650 1.00 15.11 C ATOM 446 O ASN A 27 26.081 -0.608 -29.105 1.00 64.13 O ATOM 447 CB ASN A 27 24.904 -2.950 -28.435 1.00 23.05 C ATOM 448 CG ASN A 27 25.890 -3.198 -27.309 1.00 44.13 C ATOM 449 OD1 ASN A 27 25.397 -3.183 -26.077 1.00 43.22 O flip ATOM 450 ND2 ASN A 27 27.081 -3.401 -27.546 1.00 1.25 N flip ATOM 0 H ASN A 27 22.023 -1.815 -28.432 1.00 12.02 H new ATOM 0 HA ASN A 27 23.850 -1.556 -27.181 1.00 63.34 H new ATOM 0 HB2 ASN A 27 24.217 -3.793 -28.505 1.00 23.05 H new ATOM 0 HB3 ASN A 27 25.442 -2.899 -29.381 1.00 23.05 H new ATOM 0 HD21 ASN A 27 27.416 -3.404 -28.509 1.00 1.25 H new ATOM 0 HD22 ASN A 27 27.733 -3.567 -26.779 1.00 1.25 H new ATOM 457 N GLY A 28 24.387 0.736 -28.487 1.00 11.31 N ATOM 458 CA GLY A 28 25.101 1.947 -28.847 1.00 52.23 C ATOM 459 C GLY A 28 24.493 3.187 -28.222 1.00 34.22 C ATOM 460 O GLY A 28 25.210 4.103 -27.817 1.00 32.45 O ATOM 0 H GLY A 28 23.450 0.886 -28.112 1.00 11.31 H new ATOM 0 HA2 GLY A 28 26.141 1.859 -28.533 1.00 52.23 H new ATOM 0 HA3 GLY A 28 25.103 2.055 -29.932 1.00 52.23 H new ATOM 464 N LEU A 29 23.167 3.218 -28.144 1.00 11.33 N ATOM 465 CA LEU A 29 22.461 4.356 -27.564 1.00 44.23 C ATOM 466 C LEU A 29 20.975 4.053 -27.408 1.00 53.00 C ATOM 467 O LEU A 29 20.345 4.466 -26.434 1.00 42.41 O ATOM 468 CB LEU A 29 22.651 5.598 -28.438 1.00 24.44 C ATOM 469 CG LEU A 29 22.513 6.945 -27.728 1.00 53.01 C ATOM 470 CD1 LEU A 29 21.090 7.141 -27.227 1.00 62.42 C ATOM 471 CD2 LEU A 29 23.504 7.047 -26.578 1.00 32.41 C ATOM 0 H LEU A 29 22.559 2.469 -28.475 1.00 11.33 H new ATOM 0 HA LEU A 29 22.880 4.547 -26.576 1.00 44.23 H new ATOM 0 HB2 LEU A 29 23.640 5.550 -28.893 1.00 24.44 H new ATOM 0 HB3 LEU A 29 21.924 5.561 -29.250 1.00 24.44 H new ATOM 0 HG LEU A 29 22.737 7.736 -28.444 1.00 53.01 H new ATOM 0 HD11 LEU A 29 21.011 8.105 -26.724 1.00 62.42 H new ATOM 0 HD12 LEU A 29 20.400 7.114 -28.071 1.00 62.42 H new ATOM 0 HD13 LEU A 29 20.838 6.345 -26.527 1.00 62.42 H new ATOM 0 HD21 LEU A 29 23.391 8.012 -26.085 1.00 32.41 H new ATOM 0 HD22 LEU A 29 23.313 6.249 -25.861 1.00 32.41 H new ATOM 0 HD23 LEU A 29 24.519 6.953 -26.963 1.00 32.41 H new ATOM 483 N PHE A 30 20.420 3.327 -28.373 1.00 33.24 N ATOM 484 CA PHE A 30 19.007 2.967 -28.342 1.00 31.32 C ATOM 485 C PHE A 30 18.685 2.131 -27.106 1.00 45.20 C ATOM 486 O PHE A 30 17.526 2.007 -26.712 1.00 71.52 O ATOM 487 CB PHE A 30 18.628 2.194 -29.607 1.00 21.54 C ATOM 488 CG PHE A 30 17.930 3.034 -30.637 1.00 14.54 C ATOM 489 CD1 PHE A 30 18.624 3.997 -31.351 1.00 42.31 C ATOM 490 CD2 PHE A 30 16.579 2.862 -30.891 1.00 35.13 C ATOM 491 CE1 PHE A 30 17.984 4.773 -32.299 1.00 35.13 C ATOM 492 CE2 PHE A 30 15.933 3.634 -31.838 1.00 15.44 C ATOM 493 CZ PHE A 30 16.636 4.590 -32.543 1.00 44.42 C ATOM 0 H PHE A 30 20.927 2.977 -29.186 1.00 33.24 H new ATOM 0 HA PHE A 30 18.424 3.887 -28.298 1.00 31.32 H new ATOM 0 HB2 PHE A 30 19.530 1.769 -30.047 1.00 21.54 H new ATOM 0 HB3 PHE A 30 17.983 1.359 -29.333 1.00 21.54 H new ATOM 0 HD1 PHE A 30 19.678 4.143 -31.165 1.00 42.31 H new ATOM 0 HD2 PHE A 30 16.024 2.116 -30.342 1.00 35.13 H new ATOM 0 HE1 PHE A 30 18.536 5.521 -32.848 1.00 35.13 H new ATOM 0 HE2 PHE A 30 14.879 3.489 -32.026 1.00 15.44 H new ATOM 0 HZ PHE A 30 16.134 5.194 -33.284 1.00 44.42 H new ATOM 503 N SER A 31 19.721 1.560 -26.499 1.00 42.32 N ATOM 504 CA SER A 31 19.550 0.733 -25.311 1.00 31.21 C ATOM 505 C SER A 31 20.826 0.712 -24.475 1.00 13.45 C ATOM 506 O SER A 31 21.102 -0.257 -23.769 1.00 34.13 O ATOM 507 CB SER A 31 19.164 -0.693 -25.708 1.00 61.40 C ATOM 508 OG SER A 31 20.315 -1.490 -25.931 1.00 52.55 O ATOM 0 H SER A 31 20.687 1.655 -26.811 1.00 42.32 H new ATOM 0 HA SER A 31 18.750 1.165 -24.710 1.00 31.21 H new ATOM 0 HB2 SER A 31 18.555 -1.140 -24.922 1.00 61.40 H new ATOM 0 HB3 SER A 31 18.553 -0.670 -26.611 1.00 61.40 H new ATOM 0 HG SER A 31 20.829 -1.562 -25.100 1.00 52.55 H new ATOM 514 N GLN A 32 21.599 1.790 -24.560 1.00 62.24 N ATOM 515 CA GLN A 32 22.846 1.896 -23.812 1.00 64.23 C ATOM 516 C GLN A 32 23.186 3.354 -23.524 1.00 42.45 C ATOM 517 O GLN A 32 22.450 4.262 -23.912 1.00 33.32 O ATOM 518 CB GLN A 32 23.988 1.237 -24.588 1.00 44.20 C ATOM 519 CG GLN A 32 24.746 0.192 -23.785 1.00 72.22 C ATOM 520 CD GLN A 32 23.870 -0.975 -23.372 1.00 53.44 C ATOM 521 OE1 GLN A 32 23.352 -1.703 -24.355 1.00 15.32 O flip ATOM 522 NE2 GLN A 32 23.661 -1.219 -22.184 1.00 14.34 N flip ATOM 0 H GLN A 32 21.384 2.602 -25.139 1.00 62.24 H new ATOM 0 HA GLN A 32 22.715 1.378 -22.862 1.00 64.23 H new ATOM 0 HB2 GLN A 32 23.584 0.770 -25.486 1.00 44.20 H new ATOM 0 HB3 GLN A 32 24.686 2.008 -24.916 1.00 44.20 H new ATOM 0 HG2 GLN A 32 25.583 -0.179 -24.377 1.00 72.22 H new ATOM 0 HG3 GLN A 32 25.167 0.659 -22.894 1.00 72.22 H new ATOM 0 HE21 GLN A 32 24.080 -0.633 -21.462 1.00 14.34 H new ATOM 0 HE22 GLN A 32 23.069 -2.007 -21.922 1.00 14.34 H new ATOM 531 N ASP A 33 24.305 3.572 -22.843 1.00 3.44 N ATOM 532 CA ASP A 33 24.743 4.921 -22.503 1.00 44.32 C ATOM 533 C ASP A 33 25.997 5.298 -23.286 1.00 5.34 C ATOM 534 O ASP A 33 27.028 4.632 -23.186 1.00 72.23 O ATOM 535 CB ASP A 33 25.012 5.030 -21.001 1.00 41.54 C ATOM 536 CG ASP A 33 23.741 5.224 -20.198 1.00 52.25 C ATOM 537 OD1 ASP A 33 22.698 5.545 -20.806 1.00 51.31 O ATOM 538 OD2 ASP A 33 23.789 5.054 -18.962 1.00 74.25 O ATOM 0 H ASP A 33 24.926 2.832 -22.515 1.00 3.44 H new ATOM 0 HA ASP A 33 23.946 5.614 -22.772 1.00 44.32 H new ATOM 0 HB2 ASP A 33 25.520 4.128 -20.659 1.00 41.54 H new ATOM 0 HB3 ASP A 33 25.687 5.866 -20.815 1.00 41.54 H new ATOM 543 N VAL A 34 25.903 6.371 -24.065 1.00 15.01 N ATOM 544 CA VAL A 34 27.029 6.837 -24.865 1.00 0.13 C ATOM 545 C VAL A 34 28.271 7.034 -24.003 1.00 12.34 C ATOM 546 O VAL A 34 29.399 6.922 -24.484 1.00 51.13 O ATOM 547 CB VAL A 34 26.699 8.160 -25.581 1.00 44.12 C ATOM 548 CG1 VAL A 34 26.204 9.198 -24.585 1.00 61.24 C ATOM 549 CG2 VAL A 34 27.915 8.673 -26.338 1.00 23.02 C ATOM 0 H VAL A 34 25.058 6.934 -24.159 1.00 15.01 H new ATOM 0 HA VAL A 34 27.227 6.068 -25.612 1.00 0.13 H new ATOM 0 HB VAL A 34 25.902 7.974 -26.301 1.00 44.12 H new ATOM 0 HG11 VAL A 34 25.976 10.126 -25.110 1.00 61.24 H new ATOM 0 HG12 VAL A 34 25.304 8.829 -24.092 1.00 61.24 H new ATOM 0 HG13 VAL A 34 26.976 9.384 -23.839 1.00 61.24 H new ATOM 0 HG21 VAL A 34 27.664 9.608 -26.838 1.00 23.02 H new ATOM 0 HG22 VAL A 34 28.734 8.843 -25.639 1.00 23.02 H new ATOM 0 HG23 VAL A 34 28.219 7.935 -27.080 1.00 23.02 H new ATOM 559 N LEU A 35 28.056 7.328 -22.725 1.00 5.50 N ATOM 560 CA LEU A 35 29.159 7.541 -21.793 1.00 52.25 C ATOM 561 C LEU A 35 30.041 6.300 -21.702 1.00 3.43 C ATOM 562 O LEU A 35 31.215 6.386 -21.337 1.00 72.51 O ATOM 563 CB LEU A 35 28.620 7.901 -20.408 1.00 55.10 C ATOM 564 CG LEU A 35 29.364 9.012 -19.666 1.00 34.32 C ATOM 565 CD1 LEU A 35 28.851 9.137 -18.239 1.00 64.44 C ATOM 566 CD2 LEU A 35 30.862 8.748 -19.675 1.00 43.11 C ATOM 0 H LEU A 35 27.129 7.424 -22.311 1.00 5.50 H new ATOM 0 HA LEU A 35 29.764 8.368 -22.166 1.00 52.25 H new ATOM 0 HB2 LEU A 35 27.576 8.197 -20.512 1.00 55.10 H new ATOM 0 HB3 LEU A 35 28.637 7.004 -19.789 1.00 55.10 H new ATOM 0 HG LEU A 35 29.178 9.955 -20.181 1.00 34.32 H new ATOM 0 HD11 LEU A 35 29.392 9.932 -17.726 1.00 64.44 H new ATOM 0 HD12 LEU A 35 27.787 9.373 -18.254 1.00 64.44 H new ATOM 0 HD13 LEU A 35 29.006 8.195 -17.713 1.00 64.44 H new ATOM 0 HD21 LEU A 35 31.376 9.548 -19.143 1.00 43.11 H new ATOM 0 HD22 LEU A 35 31.067 7.796 -19.185 1.00 43.11 H new ATOM 0 HD23 LEU A 35 31.219 8.710 -20.704 1.00 43.11 H new ATOM 578 N LEU A 36 29.470 5.149 -22.036 1.00 62.35 N ATOM 579 CA LEU A 36 30.205 3.889 -21.994 1.00 44.43 C ATOM 580 C LEU A 36 30.683 3.491 -23.387 1.00 73.40 C ATOM 581 O LEU A 36 30.674 2.312 -23.742 1.00 54.42 O ATOM 582 CB LEU A 36 29.327 2.783 -21.407 1.00 62.14 C ATOM 583 CG LEU A 36 28.990 2.911 -19.921 1.00 63.54 C ATOM 584 CD1 LEU A 36 27.906 3.955 -19.708 1.00 1.43 C ATOM 585 CD2 LEU A 36 28.557 1.566 -19.355 1.00 51.14 C ATOM 0 H LEU A 36 28.500 5.061 -22.339 1.00 62.35 H new ATOM 0 HA LEU A 36 31.078 4.027 -21.356 1.00 44.43 H new ATOM 0 HB2 LEU A 36 28.394 2.751 -21.969 1.00 62.14 H new ATOM 0 HB3 LEU A 36 29.827 1.827 -21.565 1.00 62.14 H new ATOM 0 HG LEU A 36 29.886 3.234 -19.391 1.00 63.54 H new ATOM 0 HD11 LEU A 36 27.679 4.032 -18.645 1.00 1.43 H new ATOM 0 HD12 LEU A 36 28.253 4.920 -20.076 1.00 1.43 H new ATOM 0 HD13 LEU A 36 27.007 3.662 -20.250 1.00 1.43 H new ATOM 0 HD21 LEU A 36 28.321 1.676 -18.297 1.00 51.14 H new ATOM 0 HD22 LEU A 36 27.674 1.214 -19.889 1.00 51.14 H new ATOM 0 HD23 LEU A 36 29.365 0.844 -19.474 1.00 51.14 H new ATOM 597 N GLN A 37 31.101 4.480 -24.170 1.00 14.24 N ATOM 598 CA GLN A 37 31.583 4.231 -25.523 1.00 2.51 C ATOM 599 C GLN A 37 33.067 4.564 -25.641 1.00 70.24 C ATOM 600 O GLN A 37 33.908 3.670 -25.736 1.00 70.44 O ATOM 601 CB GLN A 37 30.782 5.055 -26.532 1.00 53.33 C ATOM 602 CG GLN A 37 29.289 4.771 -26.501 1.00 72.52 C ATOM 603 CD GLN A 37 28.956 3.352 -26.920 1.00 44.02 C ATOM 604 OE1 GLN A 37 29.707 2.720 -27.663 1.00 64.24 O ATOM 605 NE2 GLN A 37 27.826 2.843 -26.444 1.00 52.42 N ATOM 0 H GLN A 37 31.116 5.461 -23.891 1.00 14.24 H new ATOM 0 HA GLN A 37 31.448 3.172 -25.741 1.00 2.51 H new ATOM 0 HB2 GLN A 37 30.946 6.114 -26.335 1.00 53.33 H new ATOM 0 HB3 GLN A 37 31.161 4.855 -27.534 1.00 53.33 H new ATOM 0 HG2 GLN A 37 28.910 4.947 -25.494 1.00 72.52 H new ATOM 0 HG3 GLN A 37 28.776 5.471 -27.161 1.00 72.52 H new ATOM 0 HE21 GLN A 37 27.233 3.402 -25.831 1.00 52.42 H new ATOM 0 HE22 GLN A 37 27.551 1.893 -26.691 1.00 52.42 H new ATOM 614 N TYR A 38 33.381 5.854 -25.636 1.00 2.44 N ATOM 615 CA TYR A 38 34.764 6.305 -25.745 1.00 75.03 C ATOM 616 C TYR A 38 34.948 7.664 -25.078 1.00 1.41 C ATOM 617 O TYR A 38 34.018 8.464 -24.971 1.00 50.05 O ATOM 618 CB TYR A 38 35.181 6.385 -27.215 1.00 32.02 C ATOM 619 CG TYR A 38 35.638 5.062 -27.787 1.00 53.34 C ATOM 620 CD1 TYR A 38 36.958 4.647 -27.662 1.00 14.20 C ATOM 621 CD2 TYR A 38 34.749 4.227 -28.453 1.00 52.11 C ATOM 622 CE1 TYR A 38 37.379 3.440 -28.184 1.00 64.13 C ATOM 623 CE2 TYR A 38 35.161 3.017 -28.977 1.00 44.43 C ATOM 624 CZ TYR A 38 36.478 2.629 -28.841 1.00 33.52 C ATOM 625 OH TYR A 38 36.894 1.424 -29.361 1.00 53.53 O ATOM 0 H TYR A 38 32.697 6.607 -25.558 1.00 2.44 H new ATOM 0 HA TYR A 38 35.398 5.581 -25.233 1.00 75.03 H new ATOM 0 HB2 TYR A 38 34.341 6.755 -27.803 1.00 32.02 H new ATOM 0 HB3 TYR A 38 35.986 7.113 -27.317 1.00 32.02 H new ATOM 0 HD1 TYR A 38 37.667 5.279 -27.148 1.00 14.20 H new ATOM 0 HD2 TYR A 38 33.718 4.529 -28.563 1.00 52.11 H new ATOM 0 HE1 TYR A 38 38.409 3.133 -28.078 1.00 64.13 H new ATOM 0 HE2 TYR A 38 34.457 2.379 -29.490 1.00 44.43 H new ATOM 0 HH TYR A 38 36.137 0.974 -29.791 1.00 53.53 H new ATOM 635 N PRO A 39 36.179 7.934 -24.617 1.00 74.03 N ATOM 636 CA PRO A 39 36.516 9.196 -23.953 1.00 43.42 C ATOM 637 C PRO A 39 36.512 10.378 -24.917 1.00 70.12 C ATOM 638 O PRO A 39 37.568 10.859 -25.327 1.00 54.22 O ATOM 639 CB PRO A 39 37.929 8.949 -23.417 1.00 73.44 C ATOM 640 CG PRO A 39 38.494 7.899 -24.310 1.00 72.35 C ATOM 641 CD PRO A 39 37.335 7.027 -24.710 1.00 2.31 C ATOM 0 HA PRO A 39 35.791 9.456 -23.181 1.00 43.42 H new ATOM 0 HB2 PRO A 39 38.529 9.859 -23.447 1.00 73.44 H new ATOM 0 HB3 PRO A 39 37.906 8.616 -22.379 1.00 73.44 H new ATOM 0 HG2 PRO A 39 38.967 8.344 -25.185 1.00 72.35 H new ATOM 0 HG3 PRO A 39 39.259 7.319 -23.794 1.00 72.35 H new ATOM 0 HD2 PRO A 39 37.457 6.634 -25.719 1.00 2.31 H new ATOM 0 HD3 PRO A 39 37.228 6.170 -24.045 1.00 2.31 H new ATOM 649 N GLU A 40 35.318 10.840 -25.274 1.00 52.13 N ATOM 650 CA GLU A 40 35.178 11.966 -26.191 1.00 31.42 C ATOM 651 C GLU A 40 33.718 12.394 -26.307 1.00 0.51 C ATOM 652 O GLU A 40 33.415 13.583 -26.416 1.00 1.41 O ATOM 653 CB GLU A 40 35.724 11.598 -27.572 1.00 3.20 C ATOM 654 CG GLU A 40 35.124 10.326 -28.145 1.00 74.25 C ATOM 655 CD GLU A 40 36.128 9.512 -28.938 1.00 2.01 C ATOM 656 OE1 GLU A 40 37.213 10.046 -29.248 1.00 3.54 O ATOM 657 OE2 GLU A 40 35.828 8.340 -29.248 1.00 65.11 O ATOM 0 H GLU A 40 34.434 10.453 -24.943 1.00 52.13 H new ATOM 0 HA GLU A 40 35.753 12.801 -25.791 1.00 31.42 H new ATOM 0 HB2 GLU A 40 35.533 12.422 -28.260 1.00 3.20 H new ATOM 0 HB3 GLU A 40 36.806 11.482 -27.506 1.00 3.20 H new ATOM 0 HG2 GLU A 40 34.729 9.717 -27.332 1.00 74.25 H new ATOM 0 HG3 GLU A 40 34.282 10.584 -28.788 1.00 74.25 H new ATOM 664 N LEU A 41 32.817 11.418 -26.283 1.00 43.35 N ATOM 665 CA LEU A 41 31.388 11.693 -26.387 1.00 3.25 C ATOM 666 C LEU A 41 30.725 11.647 -25.014 1.00 14.31 C ATOM 667 O LEU A 41 29.499 11.666 -24.905 1.00 50.33 O ATOM 668 CB LEU A 41 30.721 10.684 -27.322 1.00 70.14 C ATOM 669 CG LEU A 41 31.051 9.213 -27.068 1.00 61.41 C ATOM 670 CD1 LEU A 41 32.350 8.829 -27.761 1.00 15.51 C ATOM 671 CD2 LEU A 41 31.140 8.936 -25.574 1.00 52.43 C ATOM 0 H LEU A 41 33.051 10.429 -26.192 1.00 43.35 H new ATOM 0 HA LEU A 41 31.264 12.695 -26.797 1.00 3.25 H new ATOM 0 HB2 LEU A 41 29.641 10.811 -27.250 1.00 70.14 H new ATOM 0 HB3 LEU A 41 31.003 10.927 -28.347 1.00 70.14 H new ATOM 0 HG LEU A 41 30.248 8.604 -27.483 1.00 61.41 H new ATOM 0 HD11 LEU A 41 32.568 7.779 -27.569 1.00 15.51 H new ATOM 0 HD12 LEU A 41 32.250 8.988 -28.835 1.00 15.51 H new ATOM 0 HD13 LEU A 41 33.163 9.445 -27.377 1.00 15.51 H new ATOM 0 HD21 LEU A 41 31.376 7.884 -25.412 1.00 52.43 H new ATOM 0 HD22 LEU A 41 31.923 9.555 -25.135 1.00 52.43 H new ATOM 0 HD23 LEU A 41 30.185 9.171 -25.103 1.00 52.43 H new ATOM 683 N ALA A 42 31.543 11.589 -23.968 1.00 71.24 N ATOM 684 CA ALA A 42 31.035 11.545 -22.603 1.00 24.23 C ATOM 685 C ALA A 42 30.490 12.903 -22.176 1.00 15.12 C ATOM 686 O ALA A 42 29.649 12.991 -21.282 1.00 31.45 O ATOM 687 CB ALA A 42 32.129 11.089 -21.648 1.00 11.43 C ATOM 0 H ALA A 42 32.560 11.571 -24.040 1.00 71.24 H new ATOM 0 HA ALA A 42 30.215 10.827 -22.569 1.00 24.23 H new ATOM 0 HB1 ALA A 42 31.736 11.061 -20.632 1.00 11.43 H new ATOM 0 HB2 ALA A 42 32.470 10.094 -21.933 1.00 11.43 H new ATOM 0 HB3 ALA A 42 32.966 11.786 -21.694 1.00 11.43 H new ATOM 693 N GLU A 43 30.974 13.960 -22.821 1.00 30.22 N ATOM 694 CA GLU A 43 30.535 15.314 -22.505 1.00 74.04 C ATOM 695 C GLU A 43 29.089 15.533 -22.944 1.00 45.10 C ATOM 696 O GLU A 43 28.351 16.300 -22.326 1.00 23.24 O ATOM 697 CB GLU A 43 31.446 16.340 -23.182 1.00 53.22 C ATOM 698 CG GLU A 43 31.123 17.778 -22.812 1.00 51.23 C ATOM 699 CD GLU A 43 32.366 18.610 -22.564 1.00 23.33 C ATOM 700 OE1 GLU A 43 32.878 19.214 -23.530 1.00 11.25 O ATOM 701 OE2 GLU A 43 32.828 18.656 -21.404 1.00 71.04 O ATOM 0 H GLU A 43 31.670 13.905 -23.565 1.00 30.22 H new ATOM 0 HA GLU A 43 30.593 15.445 -21.424 1.00 74.04 H new ATOM 0 HB2 GLU A 43 32.481 16.128 -22.913 1.00 53.22 H new ATOM 0 HB3 GLU A 43 31.368 16.225 -24.263 1.00 53.22 H new ATOM 0 HG2 GLU A 43 30.540 18.233 -23.613 1.00 51.23 H new ATOM 0 HG3 GLU A 43 30.499 17.788 -21.918 1.00 51.23 H new ATOM 708 N SER A 44 28.693 14.854 -24.016 1.00 2.31 N ATOM 709 CA SER A 44 27.338 14.977 -24.541 1.00 3.41 C ATOM 710 C SER A 44 26.350 14.191 -23.684 1.00 44.23 C ATOM 711 O SER A 44 25.175 14.544 -23.591 1.00 14.32 O ATOM 712 CB SER A 44 27.282 14.483 -25.988 1.00 4.14 C ATOM 713 OG SER A 44 27.122 13.076 -26.040 1.00 51.10 O ATOM 0 H SER A 44 29.291 14.213 -24.538 1.00 2.31 H new ATOM 0 HA SER A 44 27.058 16.030 -24.513 1.00 3.41 H new ATOM 0 HB2 SER A 44 26.455 14.966 -26.509 1.00 4.14 H new ATOM 0 HB3 SER A 44 28.196 14.768 -26.509 1.00 4.14 H new ATOM 0 HG SER A 44 27.916 12.642 -25.663 1.00 51.10 H new ATOM 719 N TYR A 45 26.837 13.124 -23.061 1.00 73.31 N ATOM 720 CA TYR A 45 25.997 12.285 -22.214 1.00 22.01 C ATOM 721 C TYR A 45 25.404 13.093 -21.064 1.00 53.31 C ATOM 722 O TYR A 45 24.306 12.803 -20.586 1.00 43.52 O ATOM 723 CB TYR A 45 26.806 11.110 -21.662 1.00 3.23 C ATOM 724 CG TYR A 45 26.077 10.319 -20.599 1.00 44.20 C ATOM 725 CD1 TYR A 45 25.248 9.258 -20.941 1.00 4.01 C ATOM 726 CD2 TYR A 45 26.219 10.633 -19.253 1.00 34.23 C ATOM 727 CE1 TYR A 45 24.580 8.533 -19.973 1.00 51.42 C ATOM 728 CE2 TYR A 45 25.555 9.913 -18.278 1.00 62.41 C ATOM 729 CZ TYR A 45 24.737 8.864 -18.643 1.00 53.34 C ATOM 730 OH TYR A 45 24.074 8.144 -17.676 1.00 73.14 O ATOM 0 H TYR A 45 27.808 12.819 -23.126 1.00 73.31 H new ATOM 0 HA TYR A 45 25.179 11.900 -22.824 1.00 22.01 H new ATOM 0 HB2 TYR A 45 27.069 10.443 -22.483 1.00 3.23 H new ATOM 0 HB3 TYR A 45 27.740 11.487 -21.246 1.00 3.23 H new ATOM 0 HD1 TYR A 45 25.124 8.995 -21.981 1.00 4.01 H new ATOM 0 HD2 TYR A 45 26.859 11.453 -18.964 1.00 34.23 H new ATOM 0 HE1 TYR A 45 23.938 7.712 -20.256 1.00 51.42 H new ATOM 0 HE2 TYR A 45 25.676 10.170 -17.236 1.00 62.41 H new ATOM 0 HH TYR A 45 23.386 7.587 -18.097 1.00 73.14 H new ATOM 740 N THR A 46 26.137 14.111 -20.624 1.00 25.10 N ATOM 741 CA THR A 46 25.686 14.962 -19.531 1.00 0.15 C ATOM 742 C THR A 46 24.302 15.535 -19.815 1.00 44.11 C ATOM 743 O THR A 46 23.434 15.552 -18.942 1.00 62.33 O ATOM 744 CB THR A 46 26.668 16.122 -19.279 1.00 51.14 C ATOM 745 OG1 THR A 46 26.716 16.980 -20.425 1.00 63.41 O ATOM 746 CG2 THR A 46 28.062 15.595 -18.975 1.00 70.20 C ATOM 0 H THR A 46 27.047 14.366 -21.009 1.00 25.10 H new ATOM 0 HA THR A 46 25.641 14.335 -18.641 1.00 0.15 H new ATOM 0 HB THR A 46 26.315 16.687 -18.416 1.00 51.14 H new ATOM 0 HG1 THR A 46 27.515 16.774 -20.954 1.00 63.41 H new ATOM 0 HG21 THR A 46 28.738 16.432 -18.801 1.00 70.20 H new ATOM 0 HG22 THR A 46 28.027 14.966 -18.086 1.00 70.20 H new ATOM 0 HG23 THR A 46 28.422 15.009 -19.821 1.00 70.20 H new ATOM 754 N LYS A 47 24.102 16.004 -21.042 1.00 62.00 N ATOM 755 CA LYS A 47 22.823 16.577 -21.444 1.00 32.45 C ATOM 756 C LYS A 47 21.732 15.511 -21.463 1.00 32.30 C ATOM 757 O LYS A 47 20.546 15.820 -21.345 1.00 71.32 O ATOM 758 CB LYS A 47 22.942 17.225 -22.825 1.00 32.04 C ATOM 759 CG LYS A 47 21.629 17.776 -23.353 1.00 12.31 C ATOM 760 CD LYS A 47 20.852 16.723 -24.126 1.00 3.35 C ATOM 761 CE LYS A 47 20.931 16.962 -25.626 1.00 14.03 C ATOM 762 NZ LYS A 47 20.127 18.145 -26.042 1.00 31.43 N ATOM 0 H LYS A 47 24.810 15.998 -21.776 1.00 62.00 H new ATOM 0 HA LYS A 47 22.549 17.339 -20.715 1.00 32.45 H new ATOM 0 HB2 LYS A 47 23.672 18.033 -22.776 1.00 32.04 H new ATOM 0 HB3 LYS A 47 23.328 16.489 -23.531 1.00 32.04 H new ATOM 0 HG2 LYS A 47 21.025 18.138 -22.521 1.00 12.31 H new ATOM 0 HG3 LYS A 47 21.826 18.631 -23.999 1.00 12.31 H new ATOM 0 HD2 LYS A 47 21.246 15.734 -23.893 1.00 3.35 H new ATOM 0 HD3 LYS A 47 19.809 16.733 -23.809 1.00 3.35 H new ATOM 0 HE2 LYS A 47 21.971 17.110 -25.916 1.00 14.03 H new ATOM 0 HE3 LYS A 47 20.575 16.077 -26.154 1.00 14.03 H new ATOM 0 HZ1 LYS A 47 20.053 18.167 -27.079 1.00 31.43 H new ATOM 0 HZ2 LYS A 47 19.175 18.081 -25.628 1.00 31.43 H new ATOM 0 HZ3 LYS A 47 20.591 19.014 -25.710 1.00 31.43 H new ATOM 776 N VAL A 48 22.141 14.255 -21.611 1.00 35.50 N ATOM 777 CA VAL A 48 21.198 13.143 -21.643 1.00 71.40 C ATOM 778 C VAL A 48 21.309 12.292 -20.383 1.00 31.31 C ATOM 779 O VAL A 48 21.121 11.075 -20.425 1.00 1.24 O ATOM 780 CB VAL A 48 21.427 12.248 -22.875 1.00 63.34 C ATOM 781 CG1 VAL A 48 20.182 11.430 -23.181 1.00 33.00 C ATOM 782 CG2 VAL A 48 21.831 13.089 -24.077 1.00 14.32 C ATOM 0 H VAL A 48 23.119 13.982 -21.711 1.00 35.50 H new ATOM 0 HA VAL A 48 20.199 13.577 -21.699 1.00 71.40 H new ATOM 0 HB VAL A 48 22.240 11.557 -22.653 1.00 63.34 H new ATOM 0 HG11 VAL A 48 20.364 10.804 -24.055 1.00 33.00 H new ATOM 0 HG12 VAL A 48 19.942 10.798 -22.326 1.00 33.00 H new ATOM 0 HG13 VAL A 48 19.347 12.100 -23.382 1.00 33.00 H new ATOM 0 HG21 VAL A 48 21.989 12.440 -24.939 1.00 14.32 H new ATOM 0 HG22 VAL A 48 21.041 13.805 -24.302 1.00 14.32 H new ATOM 0 HG23 VAL A 48 22.753 13.625 -23.853 1.00 14.32 H new ATOM 792 N CYS A 49 21.614 12.939 -19.264 1.00 25.21 N ATOM 793 CA CYS A 49 21.751 12.241 -17.990 1.00 51.32 C ATOM 794 C CYS A 49 20.588 11.280 -17.770 1.00 33.25 C ATOM 795 O CYS A 49 20.767 10.068 -17.643 1.00 10.34 O ATOM 796 CB CYS A 49 21.823 13.246 -16.840 1.00 11.33 C ATOM 797 SG CYS A 49 23.483 13.471 -16.159 1.00 13.41 S ATOM 0 H CYS A 49 21.771 13.945 -19.212 1.00 25.21 H new ATOM 0 HA CYS A 49 22.675 11.664 -18.017 1.00 51.32 H new ATOM 0 HB2 CYS A 49 21.452 14.209 -17.190 1.00 11.33 H new ATOM 0 HB3 CYS A 49 21.156 12.918 -16.043 1.00 11.33 H new ATOM 0 HG CYS A 49 23.442 14.341 -15.194 1.00 13.41 H new ATOM 803 N PRO A 50 19.366 11.830 -17.721 1.00 14.42 N ATOM 804 CA PRO A 50 18.149 11.040 -17.514 1.00 73.30 C ATOM 805 C PRO A 50 17.814 10.165 -18.718 1.00 11.53 C ATOM 806 O PRO A 50 16.947 10.506 -19.522 1.00 24.22 O ATOM 807 CB PRO A 50 17.066 12.102 -17.307 1.00 43.01 C ATOM 808 CG PRO A 50 17.582 13.310 -18.010 1.00 74.04 C ATOM 809 CD PRO A 50 19.078 13.267 -17.864 1.00 54.44 C ATOM 0 HA PRO A 50 18.251 10.347 -16.678 1.00 73.30 H new ATOM 0 HB2 PRO A 50 16.111 11.780 -17.722 1.00 43.01 H new ATOM 0 HB3 PRO A 50 16.903 12.300 -16.248 1.00 43.01 H new ATOM 0 HG2 PRO A 50 17.292 13.304 -19.061 1.00 74.04 H new ATOM 0 HG3 PRO A 50 17.173 14.221 -17.572 1.00 74.04 H new ATOM 0 HD2 PRO A 50 19.579 13.693 -18.734 1.00 54.44 H new ATOM 0 HD3 PRO A 50 19.413 13.832 -16.995 1.00 54.44 H new ATOM 817 N ASN A 51 18.506 9.037 -18.835 1.00 5.13 N ATOM 818 CA ASN A 51 18.282 8.114 -19.941 1.00 61.22 C ATOM 819 C ASN A 51 16.793 7.844 -20.131 1.00 35.34 C ATOM 820 O ASN A 51 16.019 7.873 -19.173 1.00 63.21 O ATOM 821 CB ASN A 51 19.023 6.798 -19.693 1.00 50.32 C ATOM 822 CG ASN A 51 19.186 5.979 -20.959 1.00 34.11 C ATOM 823 OD1 ASN A 51 18.611 4.898 -21.090 1.00 54.32 O ATOM 824 ND2 ASN A 51 19.972 6.491 -21.898 1.00 44.11 N ATOM 0 H ASN A 51 19.227 8.740 -18.177 1.00 5.13 H new ATOM 0 HA ASN A 51 18.668 8.575 -20.850 1.00 61.22 H new ATOM 0 HB2 ASN A 51 20.006 7.011 -19.272 1.00 50.32 H new ATOM 0 HB3 ASN A 51 18.479 6.212 -18.952 1.00 50.32 H new ATOM 0 HD21 ASN A 51 20.119 5.985 -22.771 1.00 44.11 H new ATOM 0 HD22 ASN A 51 20.428 7.390 -21.746 1.00 44.11 H new ATOM 831 N ARG A 52 16.398 7.580 -21.372 1.00 13.30 N ATOM 832 CA ARG A 52 15.001 7.305 -21.687 1.00 41.44 C ATOM 833 C ARG A 52 14.869 6.013 -22.488 1.00 52.20 C ATOM 834 O ARG A 52 13.927 5.846 -23.264 1.00 21.31 O ATOM 835 CB ARG A 52 14.395 8.469 -22.474 1.00 1.43 C ATOM 836 CG ARG A 52 14.873 9.834 -22.006 1.00 41.44 C ATOM 837 CD ARG A 52 16.097 10.293 -22.784 1.00 73.53 C ATOM 838 NE ARG A 52 15.810 11.455 -23.620 1.00 42.32 N ATOM 839 CZ ARG A 52 15.675 12.688 -23.143 1.00 65.24 C ATOM 840 NH1 ARG A 52 15.801 12.917 -21.844 1.00 21.25 N ATOM 841 NH2 ARG A 52 15.415 13.695 -23.968 1.00 30.43 N ATOM 0 H ARG A 52 17.025 7.551 -22.176 1.00 13.30 H new ATOM 0 HA ARG A 52 14.459 7.188 -20.749 1.00 41.44 H new ATOM 0 HB2 ARG A 52 14.640 8.350 -23.529 1.00 1.43 H new ATOM 0 HB3 ARG A 52 13.309 8.426 -22.392 1.00 1.43 H new ATOM 0 HG2 ARG A 52 14.071 10.562 -22.125 1.00 41.44 H new ATOM 0 HG3 ARG A 52 15.111 9.793 -20.943 1.00 41.44 H new ATOM 0 HD2 ARG A 52 16.899 10.537 -22.087 1.00 73.53 H new ATOM 0 HD3 ARG A 52 16.456 9.476 -23.410 1.00 73.53 H new ATOM 0 HE ARG A 52 15.708 11.313 -24.625 1.00 42.32 H new ATOM 0 HH11 ARG A 52 16.002 12.146 -21.207 1.00 21.25 H new ATOM 0 HH12 ARG A 52 15.697 13.864 -21.481 1.00 21.25 H new ATOM 0 HH21 ARG A 52 15.319 13.523 -24.969 1.00 30.43 H new ATOM 0 HH22 ARG A 52 15.311 14.641 -23.601 1.00 30.43 H new ATOM 855 N CYS A 53 15.818 5.104 -22.295 1.00 34.13 N ATOM 856 CA CYS A 53 15.808 3.827 -23.000 1.00 20.04 C ATOM 857 C CYS A 53 15.008 2.784 -22.225 1.00 43.42 C ATOM 858 O CYS A 53 13.882 2.451 -22.594 1.00 41.34 O ATOM 859 CB CYS A 53 17.238 3.331 -23.219 1.00 0.12 C ATOM 860 SG CYS A 53 18.284 4.480 -24.143 1.00 43.10 S ATOM 0 H CYS A 53 16.604 5.227 -21.657 1.00 34.13 H new ATOM 0 HA CYS A 53 15.331 3.978 -23.968 1.00 20.04 H new ATOM 0 HB2 CYS A 53 17.697 3.138 -22.249 1.00 0.12 H new ATOM 0 HB3 CYS A 53 17.204 2.380 -23.750 1.00 0.12 H new ATOM 0 HG CYS A 53 18.951 3.828 -25.048 1.00 43.10 H new ATOM 866 N ASP A 54 15.598 2.272 -21.151 1.00 65.11 N ATOM 867 CA ASP A 54 14.942 1.266 -20.324 1.00 55.14 C ATOM 868 C ASP A 54 15.883 0.758 -19.237 1.00 35.43 C ATOM 869 O ASP A 54 15.755 1.126 -18.068 1.00 40.23 O ATOM 870 CB ASP A 54 14.462 0.099 -21.188 1.00 64.44 C ATOM 871 CG ASP A 54 12.959 0.104 -21.387 1.00 45.13 C ATOM 872 OD1 ASP A 54 12.236 0.451 -20.431 1.00 1.04 O ATOM 873 OD2 ASP A 54 12.506 -0.239 -22.500 1.00 25.35 O ATOM 0 H ASP A 54 16.530 2.537 -20.832 1.00 65.11 H new ATOM 0 HA ASP A 54 14.081 1.731 -19.844 1.00 55.14 H new ATOM 0 HB2 ASP A 54 14.954 0.144 -22.160 1.00 64.44 H new ATOM 0 HB3 ASP A 54 14.761 -0.840 -20.723 1.00 64.44 H new ATOM 878 N LEU A 55 16.826 -0.091 -19.628 1.00 23.52 N ATOM 879 CA LEU A 55 17.789 -0.652 -18.686 1.00 61.21 C ATOM 880 C LEU A 55 18.763 0.417 -18.202 1.00 64.11 C ATOM 881 O LEU A 55 19.160 0.428 -17.037 1.00 60.42 O ATOM 882 CB LEU A 55 18.559 -1.803 -19.337 1.00 53.44 C ATOM 883 CG LEU A 55 19.202 -1.499 -20.691 1.00 1.53 C ATOM 884 CD1 LEU A 55 20.593 -2.108 -20.769 1.00 43.33 C ATOM 885 CD2 LEU A 55 18.328 -2.013 -21.825 1.00 34.33 C ATOM 0 H LEU A 55 16.945 -0.406 -20.591 1.00 23.52 H new ATOM 0 HA LEU A 55 17.239 -1.032 -17.826 1.00 61.21 H new ATOM 0 HB2 LEU A 55 19.341 -2.125 -18.650 1.00 53.44 H new ATOM 0 HB3 LEU A 55 17.878 -2.645 -19.461 1.00 53.44 H new ATOM 0 HG LEU A 55 19.294 -0.418 -20.793 1.00 1.53 H new ATOM 0 HD11 LEU A 55 21.035 -1.882 -21.739 1.00 43.33 H new ATOM 0 HD12 LEU A 55 21.218 -1.691 -19.979 1.00 43.33 H new ATOM 0 HD13 LEU A 55 20.525 -3.189 -20.645 1.00 43.33 H new ATOM 0 HD21 LEU A 55 18.802 -1.788 -22.780 1.00 34.33 H new ATOM 0 HD22 LEU A 55 18.203 -3.091 -21.728 1.00 34.33 H new ATOM 0 HD23 LEU A 55 17.352 -1.529 -21.781 1.00 34.33 H new ATOM 897 N ALA A 56 19.143 1.316 -19.104 1.00 65.22 N ATOM 898 CA ALA A 56 20.068 2.392 -18.768 1.00 73.32 C ATOM 899 C ALA A 56 19.422 3.393 -17.817 1.00 54.42 C ATOM 900 O ALA A 56 20.104 4.039 -17.020 1.00 72.33 O ATOM 901 CB ALA A 56 20.544 3.092 -20.032 1.00 10.30 C ATOM 0 H ALA A 56 18.825 1.321 -20.073 1.00 65.22 H new ATOM 0 HA ALA A 56 20.929 1.954 -18.263 1.00 73.32 H new ATOM 0 HB1 ALA A 56 21.234 3.893 -19.766 1.00 10.30 H new ATOM 0 HB2 ALA A 56 21.052 2.374 -20.676 1.00 10.30 H new ATOM 0 HB3 ALA A 56 19.688 3.511 -20.560 1.00 10.30 H new ATOM 907 N THR A 57 18.101 3.520 -17.906 1.00 1.11 N ATOM 908 CA THR A 57 17.363 4.445 -17.055 1.00 21.31 C ATOM 909 C THR A 57 17.170 3.870 -15.656 1.00 42.12 C ATOM 910 O THR A 57 17.442 4.537 -14.658 1.00 63.52 O ATOM 911 CB THR A 57 15.984 4.781 -17.654 1.00 4.21 C ATOM 912 OG1 THR A 57 16.138 5.278 -18.988 1.00 60.32 O ATOM 913 CG2 THR A 57 15.262 5.815 -16.803 1.00 22.31 C ATOM 0 H THR A 57 17.521 2.994 -18.559 1.00 1.11 H new ATOM 0 HA THR A 57 17.956 5.358 -16.992 1.00 21.31 H new ATOM 0 HB THR A 57 15.388 3.869 -17.673 1.00 4.21 H new ATOM 0 HG1 THR A 57 15.789 6.192 -19.039 1.00 60.32 H new ATOM 0 HG21 THR A 57 14.291 6.036 -17.246 1.00 22.31 H new ATOM 0 HG22 THR A 57 15.121 5.423 -15.796 1.00 22.31 H new ATOM 0 HG23 THR A 57 15.856 6.728 -16.757 1.00 22.31 H new ATOM 921 N ALA A 58 16.700 2.629 -15.591 1.00 74.22 N ATOM 922 CA ALA A 58 16.473 1.964 -14.314 1.00 61.42 C ATOM 923 C ALA A 58 17.784 1.759 -13.562 1.00 14.45 C ATOM 924 O ALA A 58 17.876 2.047 -12.369 1.00 5.43 O ATOM 925 CB ALA A 58 15.773 0.630 -14.531 1.00 2.14 C ATOM 0 H ALA A 58 16.469 2.064 -16.408 1.00 74.22 H new ATOM 0 HA ALA A 58 15.832 2.604 -13.707 1.00 61.42 H new ATOM 0 HB1 ALA A 58 15.610 0.144 -13.569 1.00 2.14 H new ATOM 0 HB2 ALA A 58 14.814 0.798 -15.020 1.00 2.14 H new ATOM 0 HB3 ALA A 58 16.394 -0.009 -15.159 1.00 2.14 H new ATOM 931 N ALA A 59 18.794 1.260 -14.266 1.00 53.23 N ATOM 932 CA ALA A 59 20.099 1.019 -13.665 1.00 22.15 C ATOM 933 C ALA A 59 20.722 2.318 -13.165 1.00 21.01 C ATOM 934 O ALA A 59 21.379 2.343 -12.124 1.00 35.54 O ATOM 935 CB ALA A 59 21.023 0.338 -14.664 1.00 2.43 C ATOM 0 H ALA A 59 18.733 1.015 -15.254 1.00 53.23 H new ATOM 0 HA ALA A 59 19.960 0.360 -12.808 1.00 22.15 H new ATOM 0 HB1 ALA A 59 21.994 0.164 -14.201 1.00 2.43 H new ATOM 0 HB2 ALA A 59 20.590 -0.615 -14.969 1.00 2.43 H new ATOM 0 HB3 ALA A 59 21.147 0.976 -15.539 1.00 2.43 H new ATOM 941 N ASP A 60 20.513 3.395 -13.914 1.00 13.14 N ATOM 942 CA ASP A 60 21.054 4.699 -13.546 1.00 73.41 C ATOM 943 C ASP A 60 20.332 5.262 -12.326 1.00 23.13 C ATOM 944 O ASP A 60 20.953 5.860 -11.447 1.00 21.23 O ATOM 945 CB ASP A 60 20.935 5.673 -14.719 1.00 71.01 C ATOM 946 CG ASP A 60 22.075 5.530 -15.708 1.00 73.14 C ATOM 947 OD1 ASP A 60 22.959 4.680 -15.475 1.00 21.10 O ATOM 948 OD2 ASP A 60 22.083 6.269 -16.716 1.00 30.54 O ATOM 0 H ASP A 60 19.973 3.391 -14.779 1.00 13.14 H new ATOM 0 HA ASP A 60 22.107 4.571 -13.295 1.00 73.41 H new ATOM 0 HB2 ASP A 60 19.989 5.504 -15.233 1.00 71.01 H new ATOM 0 HB3 ASP A 60 20.914 6.694 -14.339 1.00 71.01 H new ATOM 953 N ARG A 61 19.018 5.068 -12.280 1.00 24.25 N ATOM 954 CA ARG A 61 18.212 5.558 -11.168 1.00 42.53 C ATOM 955 C ARG A 61 18.753 5.047 -9.836 1.00 62.45 C ATOM 956 O ARG A 61 18.826 5.789 -8.858 1.00 51.51 O ATOM 957 CB ARG A 61 16.754 5.127 -11.338 1.00 64.04 C ATOM 958 CG ARG A 61 15.793 6.289 -11.528 1.00 45.24 C ATOM 959 CD ARG A 61 16.032 6.998 -12.852 1.00 51.43 C ATOM 960 NE ARG A 61 16.845 8.201 -12.690 1.00 72.14 N ATOM 961 CZ ARG A 61 16.358 9.368 -12.284 1.00 53.01 C ATOM 962 NH1 ARG A 61 15.068 9.489 -12.000 1.00 4.15 N ATOM 963 NH2 ARG A 61 17.161 10.417 -12.161 1.00 60.02 N ATOM 0 H ARG A 61 18.489 4.575 -13.000 1.00 24.25 H new ATOM 0 HA ARG A 61 18.264 6.647 -11.167 1.00 42.53 H new ATOM 0 HB2 ARG A 61 16.679 4.460 -12.197 1.00 64.04 H new ATOM 0 HB3 ARG A 61 16.449 4.554 -10.462 1.00 64.04 H new ATOM 0 HG2 ARG A 61 14.767 5.924 -11.489 1.00 45.24 H new ATOM 0 HG3 ARG A 61 15.910 6.998 -10.708 1.00 45.24 H new ATOM 0 HD2 ARG A 61 16.527 6.317 -13.544 1.00 51.43 H new ATOM 0 HD3 ARG A 61 15.074 7.265 -13.298 1.00 51.43 H new ATOM 0 HE ARG A 61 17.841 8.141 -12.900 1.00 72.14 H new ATOM 0 HH11 ARG A 61 14.448 8.685 -12.093 1.00 4.15 H new ATOM 0 HH12 ARG A 61 14.696 10.386 -11.688 1.00 4.15 H new ATOM 0 HH21 ARG A 61 18.154 10.328 -12.378 1.00 60.02 H new ATOM 0 HH22 ARG A 61 16.786 11.313 -11.849 1.00 60.02 H new ATOM 977 N ALA A 62 19.131 3.773 -9.807 1.00 71.24 N ATOM 978 CA ALA A 62 19.666 3.162 -8.597 1.00 44.20 C ATOM 979 C ALA A 62 21.106 3.602 -8.351 1.00 34.12 C ATOM 980 O ALA A 62 21.460 4.007 -7.244 1.00 61.02 O ATOM 981 CB ALA A 62 19.584 1.646 -8.690 1.00 64.32 C ATOM 0 H ALA A 62 19.076 3.144 -10.608 1.00 71.24 H new ATOM 0 HA ALA A 62 19.062 3.496 -7.753 1.00 44.20 H new ATOM 0 HB1 ALA A 62 19.987 1.203 -7.779 1.00 64.32 H new ATOM 0 HB2 ALA A 62 18.543 1.345 -8.810 1.00 64.32 H new ATOM 0 HB3 ALA A 62 20.163 1.302 -9.547 1.00 64.32 H new ATOM 987 N ALA A 63 21.931 3.519 -9.389 1.00 72.43 N ATOM 988 CA ALA A 63 23.331 3.909 -9.285 1.00 42.35 C ATOM 989 C ALA A 63 23.465 5.359 -8.833 1.00 15.33 C ATOM 990 O ALA A 63 24.440 5.729 -8.179 1.00 12.53 O ATOM 991 CB ALA A 63 24.037 3.703 -10.618 1.00 12.43 C ATOM 0 H ALA A 63 21.654 3.185 -10.312 1.00 72.43 H new ATOM 0 HA ALA A 63 23.804 3.276 -8.534 1.00 42.35 H new ATOM 0 HB1 ALA A 63 25.082 3.998 -10.526 1.00 12.43 H new ATOM 0 HB2 ALA A 63 23.981 2.652 -10.901 1.00 12.43 H new ATOM 0 HB3 ALA A 63 23.554 4.311 -11.383 1.00 12.43 H new ATOM 997 N LYS A 64 22.479 6.177 -9.185 1.00 54.32 N ATOM 998 CA LYS A 64 22.484 7.588 -8.815 1.00 25.40 C ATOM 999 C LYS A 64 22.488 7.752 -7.299 1.00 2.05 C ATOM 1000 O LYS A 64 22.840 8.811 -6.780 1.00 64.31 O ATOM 1001 CB LYS A 64 21.268 8.298 -9.413 1.00 11.13 C ATOM 1002 CG LYS A 64 21.435 8.661 -10.878 1.00 74.32 C ATOM 1003 CD LYS A 64 21.370 10.164 -11.092 1.00 35.34 C ATOM 1004 CE LYS A 64 22.717 10.822 -10.838 1.00 22.52 C ATOM 1005 NZ LYS A 64 23.093 11.757 -11.934 1.00 21.12 N ATOM 0 H LYS A 64 21.665 5.887 -9.727 1.00 54.32 H new ATOM 0 HA LYS A 64 23.392 8.040 -9.214 1.00 25.40 H new ATOM 0 HB2 LYS A 64 20.393 7.657 -9.304 1.00 11.13 H new ATOM 0 HB3 LYS A 64 21.071 9.206 -8.843 1.00 11.13 H new ATOM 0 HG2 LYS A 64 22.390 8.282 -11.241 1.00 74.32 H new ATOM 0 HG3 LYS A 64 20.656 8.175 -11.465 1.00 74.32 H new ATOM 0 HD2 LYS A 64 21.048 10.374 -12.112 1.00 35.34 H new ATOM 0 HD3 LYS A 64 20.622 10.595 -10.427 1.00 35.34 H new ATOM 0 HE2 LYS A 64 22.684 11.365 -9.893 1.00 22.52 H new ATOM 0 HE3 LYS A 64 23.483 10.053 -10.737 1.00 22.52 H new ATOM 0 HZ1 LYS A 64 24.017 12.185 -11.723 1.00 21.12 H new ATOM 0 HZ2 LYS A 64 23.150 11.235 -12.832 1.00 21.12 H new ATOM 0 HZ3 LYS A 64 22.375 12.505 -12.014 1.00 21.12 H new ATOM 1019 N GLY A 65 22.095 6.696 -6.592 1.00 41.31 N ATOM 1020 CA GLY A 65 22.062 6.745 -5.142 1.00 61.41 C ATOM 1021 C GLY A 65 20.684 6.449 -4.583 1.00 44.33 C ATOM 1022 O GLY A 65 20.420 6.691 -3.406 1.00 72.10 O ATOM 0 H GLY A 65 21.799 5.808 -6.998 1.00 41.31 H new ATOM 0 HA2 GLY A 65 22.776 6.025 -4.741 1.00 61.41 H new ATOM 0 HA3 GLY A 65 22.382 7.732 -4.807 1.00 61.41 H new ATOM 1026 N ALA A 66 19.804 5.926 -5.430 1.00 53.52 N ATOM 1027 CA ALA A 66 18.446 5.598 -5.014 1.00 71.32 C ATOM 1028 C ALA A 66 17.783 6.782 -4.320 1.00 15.32 C ATOM 1029 O ALA A 66 17.489 6.729 -3.125 1.00 52.23 O ATOM 1030 CB ALA A 66 18.454 4.383 -4.098 1.00 3.34 C ATOM 0 H ALA A 66 20.007 5.720 -6.408 1.00 53.52 H new ATOM 0 HA ALA A 66 17.866 5.363 -5.906 1.00 71.32 H new ATOM 0 HB1 ALA A 66 17.433 4.149 -3.795 1.00 3.34 H new ATOM 0 HB2 ALA A 66 18.880 3.531 -4.628 1.00 3.34 H new ATOM 0 HB3 ALA A 66 19.055 4.598 -3.214 1.00 3.34 H new ATOM 1036 N TYR A 67 17.550 7.850 -5.075 1.00 32.00 N ATOM 1037 CA TYR A 67 16.924 9.049 -4.531 1.00 12.21 C ATOM 1038 C TYR A 67 15.646 8.701 -3.774 1.00 12.01 C ATOM 1039 O TYR A 67 14.611 8.418 -4.377 1.00 2.35 O ATOM 1040 CB TYR A 67 16.611 10.041 -5.653 1.00 22.40 C ATOM 1041 CG TYR A 67 17.397 11.329 -5.559 1.00 62.22 C ATOM 1042 CD1 TYR A 67 16.982 12.360 -4.725 1.00 65.24 C ATOM 1043 CD2 TYR A 67 18.555 11.514 -6.304 1.00 45.51 C ATOM 1044 CE1 TYR A 67 17.697 13.539 -4.637 1.00 62.34 C ATOM 1045 CE2 TYR A 67 19.277 12.689 -6.221 1.00 44.42 C ATOM 1046 CZ TYR A 67 18.844 13.699 -5.387 1.00 31.31 C ATOM 1047 OH TYR A 67 19.559 14.871 -5.301 1.00 24.11 O ATOM 0 H TYR A 67 17.785 7.910 -6.066 1.00 32.00 H new ATOM 0 HA TYR A 67 17.624 9.509 -3.834 1.00 12.21 H new ATOM 0 HB2 TYR A 67 16.818 9.568 -6.613 1.00 22.40 H new ATOM 0 HB3 TYR A 67 15.546 10.273 -5.635 1.00 22.40 H new ATOM 0 HD1 TYR A 67 16.085 12.238 -4.136 1.00 65.24 H new ATOM 0 HD2 TYR A 67 18.897 10.726 -6.959 1.00 45.51 H new ATOM 0 HE1 TYR A 67 17.360 14.331 -3.985 1.00 62.34 H new ATOM 0 HE2 TYR A 67 20.176 12.816 -6.806 1.00 44.42 H new ATOM 0 HH TYR A 67 20.340 14.822 -5.891 1.00 24.11 H new ATOM 1057 N GLY A 68 15.727 8.725 -2.447 1.00 35.31 N ATOM 1058 CA GLY A 68 14.571 8.410 -1.628 1.00 14.53 C ATOM 1059 C GLY A 68 13.531 9.514 -1.644 1.00 61.42 C ATOM 1060 O GLY A 68 13.440 10.276 -2.607 1.00 20.11 O ATOM 0 H GLY A 68 16.572 8.957 -1.925 1.00 35.31 H new ATOM 0 HA2 GLY A 68 14.119 7.484 -1.984 1.00 14.53 H new ATOM 0 HA3 GLY A 68 14.894 8.234 -0.602 1.00 14.53 H new ATOM 1064 N TYR A 69 12.744 9.599 -0.577 1.00 63.34 N ATOM 1065 CA TYR A 69 11.703 10.614 -0.475 1.00 0.22 C ATOM 1066 C TYR A 69 10.741 10.529 -1.656 1.00 11.23 C ATOM 1067 O TYR A 69 10.910 11.221 -2.660 1.00 23.00 O ATOM 1068 CB TYR A 69 12.327 12.009 -0.410 1.00 53.41 C ATOM 1069 CG TYR A 69 11.472 13.021 0.319 1.00 2.42 C ATOM 1070 CD1 TYR A 69 11.055 12.795 1.625 1.00 54.41 C ATOM 1071 CD2 TYR A 69 11.083 14.204 -0.297 1.00 42.35 C ATOM 1072 CE1 TYR A 69 10.273 13.717 2.294 1.00 22.05 C ATOM 1073 CE2 TYR A 69 10.303 15.132 0.365 1.00 1.30 C ATOM 1074 CZ TYR A 69 9.900 14.884 1.661 1.00 62.25 C ATOM 1075 OH TYR A 69 9.123 15.805 2.325 1.00 61.03 O ATOM 0 H TYR A 69 12.807 8.977 0.229 1.00 63.34 H new ATOM 0 HA TYR A 69 11.141 10.431 0.441 1.00 0.22 H new ATOM 0 HB2 TYR A 69 13.296 11.942 0.084 1.00 53.41 H new ATOM 0 HB3 TYR A 69 12.510 12.364 -1.424 1.00 53.41 H new ATOM 0 HD1 TYR A 69 11.347 11.884 2.125 1.00 54.41 H new ATOM 0 HD2 TYR A 69 11.396 14.402 -1.312 1.00 42.35 H new ATOM 0 HE1 TYR A 69 9.955 13.525 3.308 1.00 22.05 H new ATOM 0 HE2 TYR A 69 10.010 16.047 -0.129 1.00 1.30 H new ATOM 0 HH TYR A 69 8.951 16.571 1.739 1.00 61.03 H new ATOM 1085 N ASP A 70 9.731 9.676 -1.527 1.00 15.53 N ATOM 1086 CA ASP A 70 8.739 9.501 -2.581 1.00 71.25 C ATOM 1087 C ASP A 70 7.336 9.386 -1.994 1.00 55.33 C ATOM 1088 O ASP A 70 7.065 8.512 -1.171 1.00 2.34 O ATOM 1089 CB ASP A 70 9.061 8.257 -3.412 1.00 12.24 C ATOM 1090 CG ASP A 70 8.914 8.501 -4.901 1.00 4.33 C ATOM 1091 OD1 ASP A 70 7.965 9.210 -5.296 1.00 12.24 O ATOM 1092 OD2 ASP A 70 9.750 7.984 -5.671 1.00 52.22 O ATOM 0 H ASP A 70 9.578 9.095 -0.703 1.00 15.53 H new ATOM 0 HA ASP A 70 8.772 10.379 -3.226 1.00 71.25 H new ATOM 0 HB2 ASP A 70 10.080 7.935 -3.199 1.00 12.24 H new ATOM 0 HB3 ASP A 70 8.400 7.443 -3.113 1.00 12.24 H new ATOM 1097 N VAL A 71 6.446 10.276 -2.423 1.00 73.11 N ATOM 1098 CA VAL A 71 5.070 10.275 -1.940 1.00 50.02 C ATOM 1099 C VAL A 71 4.353 8.986 -2.326 1.00 1.01 C ATOM 1100 O VAL A 71 3.398 8.575 -1.667 1.00 42.12 O ATOM 1101 CB VAL A 71 4.280 11.475 -2.495 1.00 74.10 C ATOM 1102 CG1 VAL A 71 4.033 11.308 -3.987 1.00 13.24 C ATOM 1103 CG2 VAL A 71 2.967 11.641 -1.744 1.00 70.22 C ATOM 0 H VAL A 71 6.653 11.007 -3.104 1.00 73.11 H new ATOM 0 HA VAL A 71 5.116 10.350 -0.854 1.00 50.02 H new ATOM 0 HB VAL A 71 4.873 12.378 -2.348 1.00 74.10 H new ATOM 0 HG11 VAL A 71 3.474 12.165 -4.361 1.00 13.24 H new ATOM 0 HG12 VAL A 71 4.988 11.242 -4.509 1.00 13.24 H new ATOM 0 HG13 VAL A 71 3.460 10.397 -4.161 1.00 13.24 H new ATOM 0 HG21 VAL A 71 2.421 12.493 -2.149 1.00 70.22 H new ATOM 0 HG22 VAL A 71 2.366 10.739 -1.858 1.00 70.22 H new ATOM 0 HG23 VAL A 71 3.171 11.810 -0.687 1.00 70.22 H new ATOM 1113 N GLN A 72 4.821 8.353 -3.397 1.00 32.12 N ATOM 1114 CA GLN A 72 4.223 7.110 -3.870 1.00 65.12 C ATOM 1115 C GLN A 72 5.027 6.526 -5.027 1.00 64.41 C ATOM 1116 O GLN A 72 4.463 6.095 -6.034 1.00 24.21 O ATOM 1117 CB GLN A 72 2.777 7.349 -4.308 1.00 23.41 C ATOM 1118 CG GLN A 72 1.998 6.068 -4.558 1.00 20.52 C ATOM 1119 CD GLN A 72 1.230 6.097 -5.864 1.00 54.33 C ATOM 1120 OE1 GLN A 72 0.041 5.779 -5.906 1.00 52.21 O ATOM 1121 NE2 GLN A 72 1.906 6.481 -6.941 1.00 21.13 N ATOM 0 H GLN A 72 5.611 8.680 -3.953 1.00 32.12 H new ATOM 0 HA GLN A 72 4.232 6.395 -3.047 1.00 65.12 H new ATOM 0 HB2 GLN A 72 2.266 7.932 -3.542 1.00 23.41 H new ATOM 0 HB3 GLN A 72 2.776 7.949 -5.218 1.00 23.41 H new ATOM 0 HG2 GLN A 72 2.687 5.224 -4.565 1.00 20.52 H new ATOM 0 HG3 GLN A 72 1.302 5.904 -3.735 1.00 20.52 H new ATOM 0 HE21 GLN A 72 2.890 6.736 -6.861 1.00 21.13 H new ATOM 0 HE22 GLN A 72 1.441 6.521 -7.848 1.00 21.13 H new ATOM 1130 N LEU A 73 6.347 6.514 -4.877 1.00 43.13 N ATOM 1131 CA LEU A 73 7.230 5.983 -5.910 1.00 71.31 C ATOM 1132 C LEU A 73 6.915 6.603 -7.268 1.00 0.15 C ATOM 1133 O LEU A 73 7.005 5.940 -8.302 1.00 13.34 O ATOM 1134 CB LEU A 73 7.097 4.461 -5.989 1.00 31.12 C ATOM 1135 CG LEU A 73 7.376 3.695 -4.695 1.00 75.11 C ATOM 1136 CD1 LEU A 73 8.578 4.284 -3.974 1.00 42.05 C ATOM 1137 CD2 LEU A 73 6.151 3.710 -3.792 1.00 74.53 C ATOM 0 H LEU A 73 6.830 6.866 -4.050 1.00 43.13 H new ATOM 0 HA LEU A 73 8.255 6.239 -5.643 1.00 71.31 H new ATOM 0 HB2 LEU A 73 6.086 4.221 -6.319 1.00 31.12 H new ATOM 0 HB3 LEU A 73 7.778 4.096 -6.758 1.00 31.12 H new ATOM 0 HG LEU A 73 7.603 2.660 -4.950 1.00 75.11 H new ATOM 0 HD11 LEU A 73 8.761 3.726 -3.056 1.00 42.05 H new ATOM 0 HD12 LEU A 73 9.455 4.221 -4.618 1.00 42.05 H new ATOM 0 HD13 LEU A 73 8.381 5.328 -3.731 1.00 42.05 H new ATOM 0 HD21 LEU A 73 6.367 3.160 -2.876 1.00 74.53 H new ATOM 0 HD22 LEU A 73 5.894 4.740 -3.545 1.00 74.53 H new ATOM 0 HD23 LEU A 73 5.313 3.240 -4.307 1.00 74.53 H new ATOM 1149 N THR A 74 6.547 7.881 -7.258 1.00 24.33 N ATOM 1150 CA THR A 74 6.220 8.591 -8.487 1.00 43.34 C ATOM 1151 C THR A 74 7.459 8.791 -9.353 1.00 1.20 C ATOM 1152 O THR A 74 7.358 8.995 -10.563 1.00 71.44 O ATOM 1153 CB THR A 74 5.588 9.964 -8.191 1.00 53.35 C ATOM 1154 OG1 THR A 74 4.487 9.812 -7.288 1.00 51.14 O ATOM 1155 CG2 THR A 74 5.110 10.628 -9.474 1.00 71.33 C ATOM 0 H THR A 74 6.468 8.445 -6.412 1.00 24.33 H new ATOM 0 HA THR A 74 5.499 7.976 -9.025 1.00 43.34 H new ATOM 0 HB THR A 74 6.348 10.598 -7.734 1.00 53.35 H new ATOM 0 HG1 THR A 74 4.092 10.690 -7.103 1.00 51.14 H new ATOM 0 HG21 THR A 74 4.667 11.596 -9.240 1.00 71.33 H new ATOM 0 HG22 THR A 74 5.955 10.769 -10.148 1.00 71.33 H new ATOM 0 HG23 THR A 74 4.364 9.995 -9.955 1.00 71.33 H new ATOM 1163 N THR A 75 8.630 8.732 -8.726 1.00 32.53 N ATOM 1164 CA THR A 75 9.889 8.906 -9.439 1.00 13.42 C ATOM 1165 C THR A 75 10.051 7.858 -10.533 1.00 22.41 C ATOM 1166 O THR A 75 10.344 8.186 -11.683 1.00 70.15 O ATOM 1167 CB THR A 75 11.093 8.824 -8.481 1.00 53.05 C ATOM 1168 OG1 THR A 75 11.122 7.544 -7.840 1.00 14.22 O ATOM 1169 CG2 THR A 75 11.025 9.922 -7.431 1.00 40.31 C ATOM 0 H THR A 75 8.732 8.565 -7.725 1.00 32.53 H new ATOM 0 HA THR A 75 9.862 9.897 -9.892 1.00 13.42 H new ATOM 0 HB THR A 75 12.004 8.958 -9.065 1.00 53.05 H new ATOM 0 HG1 THR A 75 10.923 7.651 -6.886 1.00 14.22 H new ATOM 0 HG21 THR A 75 11.885 9.844 -6.766 1.00 40.31 H new ATOM 0 HG22 THR A 75 11.033 10.895 -7.921 1.00 40.31 H new ATOM 0 HG23 THR A 75 10.108 9.815 -6.852 1.00 40.31 H new ATOM 1177 N LEU A 76 9.859 6.595 -10.168 1.00 60.34 N ATOM 1178 CA LEU A 76 9.984 5.496 -11.120 1.00 54.23 C ATOM 1179 C LEU A 76 8.735 5.385 -11.990 1.00 22.24 C ATOM 1180 O LEU A 76 8.821 5.112 -13.187 1.00 43.32 O ATOM 1181 CB LEU A 76 10.223 4.179 -10.380 1.00 61.15 C ATOM 1182 CG LEU A 76 11.564 3.494 -10.647 1.00 73.50 C ATOM 1183 CD1 LEU A 76 12.137 2.923 -9.359 1.00 71.01 C ATOM 1184 CD2 LEU A 76 11.405 2.400 -11.693 1.00 33.52 C ATOM 0 H LEU A 76 9.616 6.306 -9.220 1.00 60.34 H new ATOM 0 HA LEU A 76 10.837 5.702 -11.766 1.00 54.23 H new ATOM 0 HB2 LEU A 76 10.140 4.366 -9.309 1.00 61.15 H new ATOM 0 HB3 LEU A 76 9.424 3.486 -10.645 1.00 61.15 H new ATOM 0 HG LEU A 76 12.261 4.239 -11.032 1.00 73.50 H new ATOM 0 HD11 LEU A 76 13.091 2.439 -9.568 1.00 71.01 H new ATOM 0 HD12 LEU A 76 12.288 3.728 -8.640 1.00 71.01 H new ATOM 0 HD13 LEU A 76 11.443 2.192 -8.945 1.00 71.01 H new ATOM 0 HD21 LEU A 76 12.369 1.923 -11.870 1.00 33.52 H new ATOM 0 HD22 LEU A 76 10.693 1.656 -11.336 1.00 33.52 H new ATOM 0 HD23 LEU A 76 11.039 2.836 -12.623 1.00 33.52 H new ATOM 1196 N LYS A 77 7.575 5.599 -11.379 1.00 54.33 N ATOM 1197 CA LYS A 77 6.307 5.527 -12.097 1.00 24.21 C ATOM 1198 C LYS A 77 6.239 6.590 -13.188 1.00 55.23 C ATOM 1199 O LYS A 77 5.618 6.383 -14.230 1.00 61.14 O ATOM 1200 CB LYS A 77 5.137 5.701 -11.126 1.00 62.20 C ATOM 1201 CG LYS A 77 4.092 4.604 -11.231 1.00 55.22 C ATOM 1202 CD LYS A 77 4.245 3.579 -10.120 1.00 53.20 C ATOM 1203 CE LYS A 77 5.188 2.456 -10.524 1.00 14.11 C ATOM 1204 NZ LYS A 77 6.614 2.881 -10.467 1.00 15.43 N ATOM 0 H LYS A 77 7.486 5.824 -10.388 1.00 54.33 H new ATOM 0 HA LYS A 77 6.239 4.545 -12.566 1.00 24.21 H new ATOM 0 HB2 LYS A 77 5.522 5.728 -10.107 1.00 62.20 H new ATOM 0 HB3 LYS A 77 4.661 6.664 -11.312 1.00 62.20 H new ATOM 0 HG2 LYS A 77 3.096 5.044 -11.186 1.00 55.22 H new ATOM 0 HG3 LYS A 77 4.179 4.109 -12.198 1.00 55.22 H new ATOM 0 HD2 LYS A 77 4.623 4.068 -9.222 1.00 53.20 H new ATOM 0 HD3 LYS A 77 3.269 3.164 -9.870 1.00 53.20 H new ATOM 0 HE2 LYS A 77 5.037 1.601 -9.865 1.00 14.11 H new ATOM 0 HE3 LYS A 77 4.948 2.126 -11.535 1.00 14.11 H new ATOM 0 HZ1 LYS A 77 7.176 2.149 -9.987 1.00 15.43 H new ATOM 0 HZ2 LYS A 77 6.975 3.017 -11.433 1.00 15.43 H new ATOM 0 HZ3 LYS A 77 6.689 3.775 -9.941 1.00 15.43 H new ATOM 1218 N GLU A 78 6.881 7.728 -12.941 1.00 71.35 N ATOM 1219 CA GLU A 78 6.892 8.822 -13.905 1.00 10.44 C ATOM 1220 C GLU A 78 7.952 8.592 -14.978 1.00 30.00 C ATOM 1221 O GLU A 78 7.795 9.018 -16.122 1.00 75.54 O ATOM 1222 CB GLU A 78 7.150 10.153 -13.195 1.00 1.12 C ATOM 1223 CG GLU A 78 7.106 11.356 -14.122 1.00 11.10 C ATOM 1224 CD GLU A 78 5.966 12.301 -13.797 1.00 54.41 C ATOM 1225 OE1 GLU A 78 5.760 12.593 -12.600 1.00 62.21 O ATOM 1226 OE2 GLU A 78 5.279 12.749 -14.739 1.00 11.42 O ATOM 0 H GLU A 78 7.399 7.916 -12.083 1.00 71.35 H new ATOM 0 HA GLU A 78 5.915 8.858 -14.387 1.00 10.44 H new ATOM 0 HB2 GLU A 78 6.408 10.285 -12.407 1.00 1.12 H new ATOM 0 HB3 GLU A 78 8.126 10.114 -12.711 1.00 1.12 H new ATOM 0 HG2 GLU A 78 8.051 11.896 -14.056 1.00 11.10 H new ATOM 0 HG3 GLU A 78 7.006 11.013 -15.152 1.00 11.10 H new ATOM 1233 N ASP A 79 9.031 7.916 -14.599 1.00 43.55 N ATOM 1234 CA ASP A 79 10.118 7.628 -15.529 1.00 11.44 C ATOM 1235 C ASP A 79 9.715 6.536 -16.514 1.00 52.02 C ATOM 1236 O ASP A 79 10.181 6.512 -17.654 1.00 15.32 O ATOM 1237 CB ASP A 79 11.373 7.205 -14.764 1.00 33.24 C ATOM 1238 CG ASP A 79 12.365 8.340 -14.606 1.00 24.30 C ATOM 1239 OD1 ASP A 79 12.844 8.857 -15.637 1.00 42.21 O ATOM 1240 OD2 ASP A 79 12.663 8.711 -13.452 1.00 11.14 O ATOM 0 H ASP A 79 9.177 7.557 -13.655 1.00 43.55 H new ATOM 0 HA ASP A 79 10.334 8.537 -16.091 1.00 11.44 H new ATOM 0 HB2 ASP A 79 11.087 6.836 -13.779 1.00 33.24 H new ATOM 0 HB3 ASP A 79 11.852 6.378 -15.287 1.00 33.24 H new ATOM 1245 N ILE A 80 8.848 5.633 -16.067 1.00 42.52 N ATOM 1246 CA ILE A 80 8.383 4.539 -16.910 1.00 61.10 C ATOM 1247 C ILE A 80 7.284 5.005 -17.859 1.00 32.52 C ATOM 1248 O ILE A 80 7.206 4.556 -19.003 1.00 3.32 O ATOM 1249 CB ILE A 80 7.854 3.364 -16.066 1.00 52.41 C ATOM 1250 CG1 ILE A 80 7.407 2.216 -16.974 1.00 1.43 C ATOM 1251 CG2 ILE A 80 6.706 3.824 -15.180 1.00 74.11 C ATOM 1252 CD1 ILE A 80 8.499 1.710 -17.889 1.00 64.23 C ATOM 0 H ILE A 80 8.454 5.638 -15.126 1.00 42.52 H new ATOM 0 HA ILE A 80 9.241 4.201 -17.491 1.00 61.10 H new ATOM 0 HB ILE A 80 8.659 3.003 -15.426 1.00 52.41 H new ATOM 0 HG12 ILE A 80 7.051 1.392 -16.356 1.00 1.43 H new ATOM 0 HG13 ILE A 80 6.563 2.549 -17.578 1.00 1.43 H new ATOM 0 HG21 ILE A 80 6.343 2.983 -14.590 1.00 74.11 H new ATOM 0 HG22 ILE A 80 7.055 4.612 -14.513 1.00 74.11 H new ATOM 0 HG23 ILE A 80 5.897 4.207 -15.802 1.00 74.11 H new ATOM 0 HD11 ILE A 80 8.111 0.897 -18.503 1.00 64.23 H new ATOM 0 HD12 ILE A 80 8.839 2.521 -18.533 1.00 64.23 H new ATOM 0 HD13 ILE A 80 9.335 1.346 -17.291 1.00 64.23 H new ATOM 1264 N ARG A 81 6.437 5.908 -17.376 1.00 73.33 N ATOM 1265 CA ARG A 81 5.342 6.435 -18.182 1.00 13.14 C ATOM 1266 C ARG A 81 5.849 7.479 -19.172 1.00 62.12 C ATOM 1267 O ARG A 81 5.317 7.614 -20.275 1.00 43.20 O ATOM 1268 CB ARG A 81 4.268 7.050 -17.281 1.00 65.15 C ATOM 1269 CG ARG A 81 4.653 8.407 -16.715 1.00 70.00 C ATOM 1270 CD ARG A 81 3.662 8.871 -15.659 1.00 72.01 C ATOM 1271 NE ARG A 81 2.398 9.305 -16.248 1.00 73.40 N ATOM 1272 CZ ARG A 81 1.357 9.716 -15.533 1.00 13.11 C ATOM 1273 NH1 ARG A 81 1.429 9.750 -14.209 1.00 42.14 N ATOM 1274 NH2 ARG A 81 0.240 10.095 -16.142 1.00 2.24 N ATOM 0 H ARG A 81 6.488 6.290 -16.431 1.00 73.33 H new ATOM 0 HA ARG A 81 4.907 5.608 -18.744 1.00 13.14 H new ATOM 0 HB2 ARG A 81 3.343 7.152 -17.849 1.00 65.15 H new ATOM 0 HB3 ARG A 81 4.062 6.367 -16.457 1.00 65.15 H new ATOM 0 HG2 ARG A 81 5.651 8.351 -16.280 1.00 70.00 H new ATOM 0 HG3 ARG A 81 4.697 9.139 -17.521 1.00 70.00 H new ATOM 0 HD2 ARG A 81 3.475 8.059 -14.956 1.00 72.01 H new ATOM 0 HD3 ARG A 81 4.097 9.692 -15.089 1.00 72.01 H new ATOM 0 HE ARG A 81 2.310 9.292 -17.264 1.00 73.40 H new ATOM 0 HH11 ARG A 81 2.286 9.460 -13.737 1.00 42.14 H new ATOM 0 HH12 ARG A 81 0.628 10.066 -13.663 1.00 42.14 H new ATOM 0 HH21 ARG A 81 0.181 10.071 -17.160 1.00 2.24 H new ATOM 0 HH22 ARG A 81 -0.559 10.410 -15.592 1.00 2.24 H new ATOM 1288 N LEU A 82 6.880 8.215 -18.772 1.00 31.03 N ATOM 1289 CA LEU A 82 7.460 9.248 -19.624 1.00 34.43 C ATOM 1290 C LEU A 82 8.223 8.627 -20.789 1.00 23.20 C ATOM 1291 O LEU A 82 8.169 9.123 -21.914 1.00 4.12 O ATOM 1292 CB LEU A 82 8.392 10.145 -18.808 1.00 40.23 C ATOM 1293 CG LEU A 82 8.813 11.456 -19.473 1.00 50.14 C ATOM 1294 CD1 LEU A 82 9.836 11.195 -20.568 1.00 20.21 C ATOM 1295 CD2 LEU A 82 7.600 12.182 -20.037 1.00 31.21 C ATOM 0 H LEU A 82 7.332 8.116 -17.863 1.00 31.03 H new ATOM 0 HA LEU A 82 6.647 9.851 -20.027 1.00 34.43 H new ATOM 0 HB2 LEU A 82 7.902 10.381 -17.864 1.00 40.23 H new ATOM 0 HB3 LEU A 82 9.291 9.578 -18.567 1.00 40.23 H new ATOM 0 HG LEU A 82 9.274 12.092 -18.717 1.00 50.14 H new ATOM 0 HD11 LEU A 82 10.124 12.140 -21.030 1.00 20.21 H new ATOM 0 HD12 LEU A 82 10.717 10.719 -20.137 1.00 20.21 H new ATOM 0 HD13 LEU A 82 9.402 10.540 -21.323 1.00 20.21 H new ATOM 0 HD21 LEU A 82 7.919 13.113 -20.506 1.00 31.21 H new ATOM 0 HD22 LEU A 82 7.110 11.551 -20.779 1.00 31.21 H new ATOM 0 HD23 LEU A 82 6.901 12.403 -19.231 1.00 31.21 H new ATOM 1307 N MET A 83 8.932 7.537 -20.512 1.00 3.53 N ATOM 1308 CA MET A 83 9.704 6.847 -21.538 1.00 62.23 C ATOM 1309 C MET A 83 8.783 6.169 -22.547 1.00 72.41 C ATOM 1310 O MET A 83 8.904 6.381 -23.754 1.00 32.52 O ATOM 1311 CB MET A 83 10.631 5.811 -20.899 1.00 73.42 C ATOM 1312 CG MET A 83 12.024 6.341 -20.604 1.00 42.30 C ATOM 1313 SD MET A 83 11.996 7.911 -19.718 1.00 42.51 S ATOM 1314 CE MET A 83 13.083 7.544 -18.343 1.00 20.43 C ATOM 0 H MET A 83 8.987 7.113 -19.586 1.00 3.53 H new ATOM 0 HA MET A 83 10.307 7.588 -22.063 1.00 62.23 H new ATOM 0 HB2 MET A 83 10.182 5.457 -19.971 1.00 73.42 H new ATOM 0 HB3 MET A 83 10.712 4.950 -21.562 1.00 73.42 H new ATOM 0 HG2 MET A 83 12.571 5.605 -20.015 1.00 42.30 H new ATOM 0 HG3 MET A 83 12.567 6.466 -21.541 1.00 42.30 H new ATOM 0 HE1 MET A 83 13.692 8.419 -18.117 1.00 20.43 H new ATOM 0 HE2 MET A 83 12.488 7.280 -17.469 1.00 20.43 H new ATOM 0 HE3 MET A 83 13.732 6.709 -18.605 1.00 20.43 H new ATOM 1324 N VAL A 84 7.862 5.352 -22.045 1.00 70.22 N ATOM 1325 CA VAL A 84 6.920 4.643 -22.903 1.00 15.12 C ATOM 1326 C VAL A 84 6.189 5.607 -23.831 1.00 62.00 C ATOM 1327 O VAL A 84 5.873 5.268 -24.970 1.00 70.34 O ATOM 1328 CB VAL A 84 5.883 3.862 -22.073 1.00 2.41 C ATOM 1329 CG1 VAL A 84 5.071 4.810 -21.204 1.00 3.45 C ATOM 1330 CG2 VAL A 84 4.974 3.051 -22.983 1.00 64.54 C ATOM 0 H VAL A 84 7.748 5.165 -21.049 1.00 70.22 H new ATOM 0 HA VAL A 84 7.502 3.940 -23.499 1.00 15.12 H new ATOM 0 HB VAL A 84 6.414 3.171 -21.418 1.00 2.41 H new ATOM 0 HG11 VAL A 84 4.344 4.240 -20.625 1.00 3.45 H new ATOM 0 HG12 VAL A 84 5.737 5.343 -20.526 1.00 3.45 H new ATOM 0 HG13 VAL A 84 4.549 5.527 -21.837 1.00 3.45 H new ATOM 0 HG21 VAL A 84 4.248 2.506 -22.380 1.00 64.54 H new ATOM 0 HG22 VAL A 84 4.450 3.721 -23.664 1.00 64.54 H new ATOM 0 HG23 VAL A 84 5.572 2.344 -23.558 1.00 64.54 H new ATOM 1340 N ASN A 85 5.925 6.811 -23.335 1.00 54.41 N ATOM 1341 CA ASN A 85 5.231 7.826 -24.120 1.00 70.24 C ATOM 1342 C ASN A 85 6.067 8.246 -25.325 1.00 53.55 C ATOM 1343 O ASN A 85 5.565 8.320 -26.446 1.00 71.13 O ATOM 1344 CB ASN A 85 4.917 9.046 -23.252 1.00 50.14 C ATOM 1345 CG ASN A 85 3.555 8.951 -22.593 1.00 12.33 C ATOM 1346 OD1 ASN A 85 2.579 8.531 -23.215 1.00 42.43 O ATOM 1347 ND2 ASN A 85 3.483 9.343 -21.326 1.00 34.42 N ATOM 0 H ASN A 85 6.181 7.108 -22.393 1.00 54.41 H new ATOM 0 HA ASN A 85 4.297 7.396 -24.480 1.00 70.24 H new ATOM 0 HB2 ASN A 85 5.683 9.149 -22.483 1.00 50.14 H new ATOM 0 HB3 ASN A 85 4.959 9.946 -23.866 1.00 50.14 H new ATOM 0 HD21 ASN A 85 2.593 9.303 -20.829 1.00 34.42 H new ATOM 0 HD22 ASN A 85 4.318 9.684 -20.850 1.00 34.42 H new ATOM 1354 N ASN A 86 7.345 8.521 -25.086 1.00 12.05 N ATOM 1355 CA ASN A 86 8.251 8.934 -26.151 1.00 52.30 C ATOM 1356 C ASN A 86 8.655 7.743 -27.014 1.00 71.11 C ATOM 1357 O ASN A 86 9.095 7.909 -28.152 1.00 71.14 O ATOM 1358 CB ASN A 86 9.497 9.597 -25.561 1.00 23.34 C ATOM 1359 CG ASN A 86 9.980 10.767 -26.395 1.00 41.31 C ATOM 1360 OD1 ASN A 86 11.114 10.777 -26.874 1.00 61.52 O ATOM 1361 ND2 ASN A 86 9.119 11.762 -26.572 1.00 52.44 N ATOM 0 H ASN A 86 7.777 8.465 -24.164 1.00 12.05 H new ATOM 0 HA ASN A 86 7.728 9.655 -26.780 1.00 52.30 H new ATOM 0 HB2 ASN A 86 9.278 9.941 -24.550 1.00 23.34 H new ATOM 0 HB3 ASN A 86 10.294 8.858 -25.480 1.00 23.34 H new ATOM 0 HD21 ASN A 86 9.388 12.577 -27.124 1.00 52.44 H new ATOM 0 HD22 ASN A 86 8.189 11.712 -26.156 1.00 52.44 H new ATOM 1368 N CYS A 87 8.502 6.543 -26.465 1.00 50.02 N ATOM 1369 CA CYS A 87 8.851 5.323 -27.185 1.00 10.05 C ATOM 1370 C CYS A 87 7.979 5.155 -28.425 1.00 23.13 C ATOM 1371 O CYS A 87 8.466 5.236 -29.553 1.00 11.10 O ATOM 1372 CB CYS A 87 8.699 4.106 -26.271 1.00 10.24 C ATOM 1373 SG CYS A 87 9.474 2.602 -26.909 1.00 13.32 S ATOM 0 H CYS A 87 8.139 6.389 -25.524 1.00 50.02 H new ATOM 0 HA CYS A 87 9.891 5.402 -27.503 1.00 10.05 H new ATOM 0 HB2 CYS A 87 9.131 4.340 -25.298 1.00 10.24 H new ATOM 0 HB3 CYS A 87 7.638 3.915 -26.111 1.00 10.24 H new ATOM 0 HG CYS A 87 9.294 1.629 -26.065 1.00 13.32 H new ATOM 1379 N ILE A 88 6.690 4.919 -28.208 1.00 31.34 N ATOM 1380 CA ILE A 88 5.751 4.738 -29.308 1.00 10.42 C ATOM 1381 C ILE A 88 5.597 6.023 -30.115 1.00 62.23 C ATOM 1382 O ILE A 88 5.341 5.985 -31.320 1.00 1.24 O ATOM 1383 CB ILE A 88 4.366 4.296 -28.799 1.00 42.03 C ATOM 1384 CG1 ILE A 88 3.783 5.352 -27.858 1.00 22.12 C ATOM 1385 CG2 ILE A 88 4.465 2.950 -28.098 1.00 33.41 C ATOM 1386 CD1 ILE A 88 2.925 6.380 -28.561 1.00 13.15 C ATOM 0 H ILE A 88 6.272 4.849 -27.280 1.00 31.34 H new ATOM 0 HA ILE A 88 6.160 3.956 -29.948 1.00 10.42 H new ATOM 0 HB ILE A 88 3.698 4.190 -29.654 1.00 42.03 H new ATOM 0 HG12 ILE A 88 3.187 4.855 -27.092 1.00 22.12 H new ATOM 0 HG13 ILE A 88 4.599 5.861 -27.346 1.00 22.12 H new ATOM 0 HG21 ILE A 88 3.479 2.651 -27.744 1.00 33.41 H new ATOM 0 HG22 ILE A 88 4.842 2.203 -28.796 1.00 33.41 H new ATOM 0 HG23 ILE A 88 5.146 3.030 -27.251 1.00 33.41 H new ATOM 0 HD11 ILE A 88 2.545 7.097 -27.833 1.00 13.15 H new ATOM 0 HD12 ILE A 88 3.522 6.903 -29.308 1.00 13.15 H new ATOM 0 HD13 ILE A 88 2.088 5.882 -29.050 1.00 13.15 H new ATOM 1398 N LEU A 89 5.757 7.159 -29.445 1.00 73.34 N ATOM 1399 CA LEU A 89 5.638 8.457 -30.101 1.00 34.42 C ATOM 1400 C LEU A 89 6.815 8.703 -31.039 1.00 1.25 C ATOM 1401 O LEU A 89 6.659 8.711 -32.260 1.00 34.03 O ATOM 1402 CB LEU A 89 5.560 9.572 -29.057 1.00 21.02 C ATOM 1403 CG LEU A 89 5.304 10.980 -29.596 1.00 73.42 C ATOM 1404 CD1 LEU A 89 4.166 11.644 -28.836 1.00 23.43 C ATOM 1405 CD2 LEU A 89 6.568 11.822 -29.511 1.00 21.00 C ATOM 0 H LEU A 89 5.969 7.208 -28.449 1.00 73.34 H new ATOM 0 HA LEU A 89 4.722 8.456 -30.691 1.00 34.42 H new ATOM 0 HB2 LEU A 89 4.768 9.326 -28.350 1.00 21.02 H new ATOM 0 HB3 LEU A 89 6.495 9.584 -28.497 1.00 21.02 H new ATOM 0 HG LEU A 89 5.015 10.900 -30.644 1.00 73.42 H new ATOM 0 HD11 LEU A 89 3.998 12.645 -29.233 1.00 23.43 H new ATOM 0 HD12 LEU A 89 3.258 11.052 -28.950 1.00 23.43 H new ATOM 0 HD13 LEU A 89 4.425 11.712 -27.779 1.00 23.43 H new ATOM 0 HD21 LEU A 89 6.367 12.821 -29.899 1.00 21.00 H new ATOM 0 HD22 LEU A 89 6.888 11.894 -28.471 1.00 21.00 H new ATOM 0 HD23 LEU A 89 7.356 11.355 -30.102 1.00 21.00 H new ATOM 1417 N PHE A 90 7.994 8.902 -30.459 1.00 45.24 N ATOM 1418 CA PHE A 90 9.199 9.148 -31.243 1.00 64.42 C ATOM 1419 C PHE A 90 9.446 8.011 -32.231 1.00 44.32 C ATOM 1420 O PHE A 90 9.466 8.222 -33.443 1.00 64.21 O ATOM 1421 CB PHE A 90 10.410 9.309 -30.321 1.00 35.42 C ATOM 1422 CG PHE A 90 11.497 10.165 -30.903 1.00 65.21 C ATOM 1423 CD1 PHE A 90 11.295 11.520 -31.110 1.00 70.31 C ATOM 1424 CD2 PHE A 90 12.723 9.615 -31.244 1.00 34.40 C ATOM 1425 CE1 PHE A 90 12.294 12.311 -31.645 1.00 62.35 C ATOM 1426 CE2 PHE A 90 13.726 10.401 -31.779 1.00 74.52 C ATOM 1427 CZ PHE A 90 13.511 11.750 -31.981 1.00 72.13 C ATOM 0 H PHE A 90 8.141 8.898 -29.450 1.00 45.24 H new ATOM 0 HA PHE A 90 9.054 10.071 -31.805 1.00 64.42 H new ATOM 0 HB2 PHE A 90 10.082 9.744 -29.377 1.00 35.42 H new ATOM 0 HB3 PHE A 90 10.817 8.324 -30.094 1.00 35.42 H new ATOM 0 HD1 PHE A 90 10.345 11.963 -30.850 1.00 70.31 H new ATOM 0 HD2 PHE A 90 12.896 8.560 -31.090 1.00 34.40 H new ATOM 0 HE1 PHE A 90 12.124 13.366 -31.800 1.00 62.35 H new ATOM 0 HE2 PHE A 90 14.677 9.960 -32.039 1.00 74.52 H new ATOM 0 HZ PHE A 90 14.293 12.365 -32.401 1.00 72.13 H new ATOM 1437 N ASN A 91 9.635 6.806 -31.703 1.00 14.31 N ATOM 1438 CA ASN A 91 9.882 5.636 -32.537 1.00 53.04 C ATOM 1439 C ASN A 91 10.064 4.386 -31.681 1.00 43.45 C ATOM 1440 O ASN A 91 11.113 4.187 -31.071 1.00 4.55 O ATOM 1441 CB ASN A 91 11.120 5.857 -33.408 1.00 62.11 C ATOM 1442 CG ASN A 91 10.794 5.851 -34.889 1.00 64.12 C ATOM 1443 OD1 ASN A 91 11.029 6.834 -35.592 1.00 4.12 O ATOM 1444 ND2 ASN A 91 10.250 4.740 -35.370 1.00 72.54 N ATOM 0 H ASN A 91 9.622 6.614 -30.701 1.00 14.31 H new ATOM 0 HA ASN A 91 9.015 5.490 -33.181 1.00 53.04 H new ATOM 0 HB2 ASN A 91 11.581 6.809 -33.144 1.00 62.11 H new ATOM 0 HB3 ASN A 91 11.853 5.078 -33.197 1.00 62.11 H new ATOM 0 HD21 ASN A 91 10.009 4.677 -36.359 1.00 72.54 H new ATOM 0 HD22 ASN A 91 10.073 3.949 -34.750 1.00 72.54 H new ATOM 1451 N GLY A 92 9.034 3.546 -31.643 1.00 44.11 N ATOM 1452 CA GLY A 92 9.101 2.326 -30.860 1.00 43.11 C ATOM 1453 C GLY A 92 8.181 1.245 -31.391 1.00 53.21 C ATOM 1454 O GLY A 92 8.636 0.276 -31.998 1.00 54.32 O ATOM 0 H GLY A 92 8.155 3.689 -32.140 1.00 44.11 H new ATOM 0 HA2 GLY A 92 10.126 1.956 -30.856 1.00 43.11 H new ATOM 0 HA3 GLY A 92 8.838 2.547 -29.826 1.00 43.11 H new ATOM 1458 N ALA A 93 6.882 1.410 -31.161 1.00 3.24 N ATOM 1459 CA ALA A 93 5.896 0.441 -31.620 1.00 74.14 C ATOM 1460 C ALA A 93 5.267 0.880 -32.939 1.00 3.24 C ATOM 1461 O ALA A 93 5.502 0.271 -33.981 1.00 71.34 O ATOM 1462 CB ALA A 93 4.821 0.239 -30.563 1.00 12.45 C ATOM 0 H ALA A 93 6.489 2.206 -30.659 1.00 3.24 H new ATOM 0 HA ALA A 93 6.407 -0.507 -31.788 1.00 74.14 H new ATOM 0 HB1 ALA A 93 4.091 -0.488 -30.920 1.00 12.45 H new ATOM 0 HB2 ALA A 93 5.279 -0.128 -29.644 1.00 12.45 H new ATOM 0 HB3 ALA A 93 4.322 1.188 -30.366 1.00 12.45 H new ATOM 1468 N GLU A 94 4.468 1.941 -32.883 1.00 72.14 N ATOM 1469 CA GLU A 94 3.805 2.460 -34.074 1.00 71.31 C ATOM 1470 C GLU A 94 2.931 1.389 -34.720 1.00 73.23 C ATOM 1471 O GLU A 94 2.591 1.478 -35.899 1.00 70.44 O ATOM 1472 CB GLU A 94 4.840 2.965 -35.082 1.00 14.45 C ATOM 1473 CG GLU A 94 4.449 4.273 -35.750 1.00 64.34 C ATOM 1474 CD GLU A 94 3.596 4.064 -36.986 1.00 60.23 C ATOM 1475 OE1 GLU A 94 4.089 3.443 -37.951 1.00 5.12 O ATOM 1476 OE2 GLU A 94 2.434 4.521 -36.988 1.00 51.32 O ATOM 0 H GLU A 94 4.264 2.457 -32.027 1.00 72.14 H new ATOM 0 HA GLU A 94 3.168 3.291 -33.771 1.00 71.31 H new ATOM 0 HB2 GLU A 94 5.795 3.097 -34.574 1.00 14.45 H new ATOM 0 HB3 GLU A 94 4.989 2.205 -35.849 1.00 14.45 H new ATOM 0 HG2 GLU A 94 3.904 4.892 -35.037 1.00 64.34 H new ATOM 0 HG3 GLU A 94 5.351 4.821 -36.024 1.00 64.34 H new ATOM 1483 N GLY A 95 2.571 0.376 -33.938 1.00 75.42 N ATOM 1484 CA GLY A 95 1.740 -0.698 -34.451 1.00 21.52 C ATOM 1485 C GLY A 95 1.649 -1.869 -33.492 1.00 62.11 C ATOM 1486 O GLY A 95 0.660 -2.601 -33.487 1.00 54.53 O ATOM 0 H GLY A 95 2.840 0.280 -32.959 1.00 75.42 H new ATOM 0 HA2 GLY A 95 0.739 -0.316 -34.649 1.00 21.52 H new ATOM 0 HA3 GLY A 95 2.144 -1.043 -35.403 1.00 21.52 H new ATOM 1490 N ALA A 96 2.685 -2.048 -32.679 1.00 63.03 N ATOM 1491 CA ALA A 96 2.718 -3.138 -31.712 1.00 11.12 C ATOM 1492 C ALA A 96 2.848 -2.605 -30.289 1.00 21.10 C ATOM 1493 O ALA A 96 3.803 -2.926 -29.581 1.00 10.53 O ATOM 1494 CB ALA A 96 3.862 -4.090 -32.028 1.00 11.02 C ATOM 0 H ALA A 96 3.513 -1.452 -32.671 1.00 63.03 H new ATOM 0 HA ALA A 96 1.777 -3.683 -31.784 1.00 11.12 H new ATOM 0 HB1 ALA A 96 3.874 -4.899 -31.298 1.00 11.02 H new ATOM 0 HB2 ALA A 96 3.725 -4.505 -33.027 1.00 11.02 H new ATOM 0 HB3 ALA A 96 4.807 -3.549 -31.986 1.00 11.02 H new ATOM 1500 N TYR A 97 1.883 -1.790 -29.877 1.00 24.42 N ATOM 1501 CA TYR A 97 1.892 -1.211 -28.539 1.00 42.40 C ATOM 1502 C TYR A 97 2.069 -2.292 -27.478 1.00 24.13 C ATOM 1503 O TYR A 97 2.622 -2.042 -26.407 1.00 30.01 O ATOM 1504 CB TYR A 97 0.596 -0.440 -28.286 1.00 14.40 C ATOM 1505 CG TYR A 97 -0.626 -1.325 -28.187 1.00 21.21 C ATOM 1506 CD1 TYR A 97 -1.282 -1.768 -29.329 1.00 44.23 C ATOM 1507 CD2 TYR A 97 -1.125 -1.719 -26.951 1.00 40.44 C ATOM 1508 CE1 TYR A 97 -2.398 -2.576 -29.244 1.00 35.42 C ATOM 1509 CE2 TYR A 97 -2.240 -2.528 -26.856 1.00 72.24 C ATOM 1510 CZ TYR A 97 -2.874 -2.954 -28.005 1.00 65.33 C ATOM 1511 OH TYR A 97 -3.986 -3.760 -27.915 1.00 4.22 O ATOM 0 H TYR A 97 1.085 -1.516 -30.450 1.00 24.42 H new ATOM 0 HA TYR A 97 2.735 -0.523 -28.474 1.00 42.40 H new ATOM 0 HB2 TYR A 97 0.697 0.130 -27.363 1.00 14.40 H new ATOM 0 HB3 TYR A 97 0.448 0.280 -29.091 1.00 14.40 H new ATOM 0 HD1 TYR A 97 -0.912 -1.475 -30.300 1.00 44.23 H new ATOM 0 HD2 TYR A 97 -0.632 -1.387 -26.049 1.00 40.44 H new ATOM 0 HE1 TYR A 97 -2.896 -2.910 -30.142 1.00 35.42 H new ATOM 0 HE2 TYR A 97 -2.614 -2.826 -25.887 1.00 72.24 H new ATOM 0 HH TYR A 97 -4.189 -3.934 -26.972 1.00 4.22 H new ATOM 1521 N ALA A 98 1.597 -3.496 -27.784 1.00 54.32 N ATOM 1522 CA ALA A 98 1.704 -4.617 -26.859 1.00 64.12 C ATOM 1523 C ALA A 98 3.152 -4.841 -26.435 1.00 33.34 C ATOM 1524 O ALA A 98 3.418 -5.341 -25.341 1.00 74.14 O ATOM 1525 CB ALA A 98 1.136 -5.879 -27.491 1.00 62.13 C ATOM 0 H ALA A 98 1.136 -3.720 -28.666 1.00 54.32 H new ATOM 0 HA ALA A 98 1.124 -4.378 -25.968 1.00 64.12 H new ATOM 0 HB1 ALA A 98 1.223 -6.708 -26.789 1.00 62.13 H new ATOM 0 HB2 ALA A 98 0.086 -5.721 -27.739 1.00 62.13 H new ATOM 0 HB3 ALA A 98 1.692 -6.113 -28.399 1.00 62.13 H new ATOM 1531 N ASP A 99 4.083 -4.469 -27.306 1.00 22.33 N ATOM 1532 CA ASP A 99 5.504 -4.630 -27.021 1.00 3.34 C ATOM 1533 C ASP A 99 5.927 -3.746 -25.851 1.00 41.34 C ATOM 1534 O ASP A 99 6.770 -4.131 -25.042 1.00 31.41 O ATOM 1535 CB ASP A 99 6.336 -4.291 -28.259 1.00 21.33 C ATOM 1536 CG ASP A 99 6.092 -5.257 -29.402 1.00 12.22 C ATOM 1537 OD1 ASP A 99 5.611 -6.378 -29.138 1.00 21.51 O ATOM 1538 OD2 ASP A 99 6.382 -4.891 -30.560 1.00 42.12 O ATOM 0 H ASP A 99 3.880 -4.054 -28.215 1.00 22.33 H new ATOM 0 HA ASP A 99 5.679 -5.671 -26.749 1.00 3.34 H new ATOM 0 HB2 ASP A 99 6.100 -3.278 -28.586 1.00 21.33 H new ATOM 0 HB3 ASP A 99 7.394 -4.303 -27.997 1.00 21.33 H new ATOM 1543 N ALA A 100 5.337 -2.558 -25.771 1.00 14.24 N ATOM 1544 CA ALA A 100 5.651 -1.620 -24.700 1.00 42.54 C ATOM 1545 C ALA A 100 4.908 -1.980 -23.418 1.00 44.13 C ATOM 1546 O ALA A 100 5.327 -1.609 -22.322 1.00 51.12 O ATOM 1547 CB ALA A 100 5.312 -0.199 -25.127 1.00 44.04 C ATOM 0 H ALA A 100 4.639 -2.222 -26.435 1.00 14.24 H new ATOM 0 HA ALA A 100 6.720 -1.683 -24.498 1.00 42.54 H new ATOM 0 HB1 ALA A 100 5.551 0.491 -24.318 1.00 44.04 H new ATOM 0 HB2 ALA A 100 5.893 0.063 -26.011 1.00 44.04 H new ATOM 0 HB3 ALA A 100 4.249 -0.132 -25.358 1.00 44.04 H new ATOM 1553 N ALA A 101 3.804 -2.705 -23.564 1.00 11.54 N ATOM 1554 CA ALA A 101 3.004 -3.116 -22.417 1.00 13.12 C ATOM 1555 C ALA A 101 3.713 -4.201 -21.613 1.00 51.24 C ATOM 1556 O ALA A 101 3.559 -4.284 -20.395 1.00 23.42 O ATOM 1557 CB ALA A 101 1.637 -3.604 -22.874 1.00 41.45 C ATOM 0 H ALA A 101 3.443 -3.020 -24.465 1.00 11.54 H new ATOM 0 HA ALA A 101 2.871 -2.249 -21.770 1.00 13.12 H new ATOM 0 HB1 ALA A 101 1.050 -3.908 -22.007 1.00 41.45 H new ATOM 0 HB2 ALA A 101 1.120 -2.800 -23.398 1.00 41.45 H new ATOM 0 HB3 ALA A 101 1.760 -4.454 -23.545 1.00 41.45 H new ATOM 1563 N ARG A 102 4.489 -5.030 -22.304 1.00 11.03 N ATOM 1564 CA ARG A 102 5.220 -6.111 -21.654 1.00 21.10 C ATOM 1565 C ARG A 102 6.224 -5.559 -20.646 1.00 64.43 C ATOM 1566 O ARG A 102 6.243 -5.967 -19.484 1.00 50.23 O ATOM 1567 CB ARG A 102 5.944 -6.964 -22.697 1.00 22.41 C ATOM 1568 CG ARG A 102 5.987 -8.444 -22.350 1.00 41.41 C ATOM 1569 CD ARG A 102 6.742 -8.690 -21.053 1.00 62.13 C ATOM 1570 NE ARG A 102 7.574 -9.888 -21.124 1.00 25.12 N ATOM 1571 CZ ARG A 102 8.756 -9.928 -21.730 1.00 12.31 C ATOM 1572 NH1 ARG A 102 9.241 -8.841 -22.315 1.00 24.34 N ATOM 1573 NH2 ARG A 102 9.454 -11.056 -21.752 1.00 3.34 N ATOM 0 H ARG A 102 4.628 -4.974 -23.313 1.00 11.03 H new ATOM 0 HA ARG A 102 4.501 -6.733 -21.121 1.00 21.10 H new ATOM 0 HB2 ARG A 102 5.451 -6.840 -23.661 1.00 22.41 H new ATOM 0 HB3 ARG A 102 6.964 -6.596 -22.810 1.00 22.41 H new ATOM 0 HG2 ARG A 102 4.971 -8.827 -22.259 1.00 41.41 H new ATOM 0 HG3 ARG A 102 6.464 -8.995 -23.160 1.00 41.41 H new ATOM 0 HD2 ARG A 102 7.368 -7.826 -20.828 1.00 62.13 H new ATOM 0 HD3 ARG A 102 6.031 -8.790 -20.233 1.00 62.13 H new ATOM 0 HE ARG A 102 7.229 -10.741 -20.684 1.00 25.12 H new ATOM 0 HH11 ARG A 102 8.707 -7.972 -22.300 1.00 24.34 H new ATOM 0 HH12 ARG A 102 10.148 -8.874 -22.780 1.00 24.34 H new ATOM 0 HH21 ARG A 102 9.084 -11.894 -21.303 1.00 3.34 H new ATOM 0 HH22 ARG A 102 10.361 -11.085 -22.217 1.00 3.34 H new ATOM 1587 N THR A 103 7.060 -4.630 -21.099 1.00 52.44 N ATOM 1588 CA THR A 103 8.068 -4.023 -20.239 1.00 71.21 C ATOM 1589 C THR A 103 7.422 -3.270 -19.082 1.00 20.12 C ATOM 1590 O THR A 103 7.947 -3.254 -17.968 1.00 61.23 O ATOM 1591 CB THR A 103 8.970 -3.055 -21.027 1.00 40.22 C ATOM 1592 OG1 THR A 103 9.894 -2.414 -20.140 1.00 75.11 O ATOM 1593 CG2 THR A 103 8.138 -2.004 -21.746 1.00 73.04 C ATOM 0 H THR A 103 7.059 -4.281 -22.058 1.00 52.44 H new ATOM 0 HA THR A 103 8.678 -4.836 -19.845 1.00 71.21 H new ATOM 0 HB THR A 103 9.521 -3.631 -21.771 1.00 40.22 H new ATOM 0 HG1 THR A 103 10.465 -1.801 -20.649 1.00 75.11 H new ATOM 0 HG21 THR A 103 8.797 -1.332 -22.296 1.00 73.04 H new ATOM 0 HG22 THR A 103 7.456 -2.493 -22.442 1.00 73.04 H new ATOM 0 HG23 THR A 103 7.564 -1.433 -21.016 1.00 73.04 H new ATOM 1601 N PHE A 104 6.280 -2.647 -19.351 1.00 74.15 N ATOM 1602 CA PHE A 104 5.562 -1.891 -18.332 1.00 32.33 C ATOM 1603 C PHE A 104 5.155 -2.795 -17.171 1.00 54.51 C ATOM 1604 O PHE A 104 5.423 -2.489 -16.010 1.00 2.40 O ATOM 1605 CB PHE A 104 4.322 -1.228 -18.936 1.00 22.40 C ATOM 1606 CG PHE A 104 3.468 -0.520 -17.924 1.00 51.21 C ATOM 1607 CD1 PHE A 104 3.807 0.747 -17.477 1.00 25.24 C ATOM 1608 CD2 PHE A 104 2.325 -1.120 -17.421 1.00 10.12 C ATOM 1609 CE1 PHE A 104 3.023 1.401 -16.545 1.00 25.41 C ATOM 1610 CE2 PHE A 104 1.537 -0.471 -16.489 1.00 52.22 C ATOM 1611 CZ PHE A 104 1.886 0.792 -16.052 1.00 21.34 C ATOM 0 H PHE A 104 5.831 -2.651 -20.267 1.00 74.15 H new ATOM 0 HA PHE A 104 6.229 -1.118 -17.952 1.00 32.33 H new ATOM 0 HB2 PHE A 104 4.636 -0.514 -19.698 1.00 22.40 H new ATOM 0 HB3 PHE A 104 3.722 -1.987 -19.438 1.00 22.40 H new ATOM 0 HD1 PHE A 104 4.694 1.229 -17.861 1.00 25.24 H new ATOM 0 HD2 PHE A 104 2.046 -2.106 -17.761 1.00 10.12 H new ATOM 0 HE1 PHE A 104 3.300 2.387 -16.203 1.00 25.41 H new ATOM 0 HE2 PHE A 104 0.650 -0.951 -16.103 1.00 52.22 H new ATOM 0 HZ PHE A 104 1.271 1.302 -15.326 1.00 21.34 H new ATOM 1621 N GLU A 105 4.505 -3.908 -17.495 1.00 55.14 N ATOM 1622 CA GLU A 105 4.059 -4.855 -16.480 1.00 10.31 C ATOM 1623 C GLU A 105 5.213 -5.254 -15.564 1.00 52.34 C ATOM 1624 O GLU A 105 5.059 -5.320 -14.345 1.00 34.53 O ATOM 1625 CB GLU A 105 3.462 -6.100 -17.139 1.00 22.11 C ATOM 1626 CG GLU A 105 1.958 -6.021 -17.339 1.00 61.21 C ATOM 1627 CD GLU A 105 1.403 -7.229 -18.069 1.00 14.13 C ATOM 1628 OE1 GLU A 105 1.676 -8.365 -17.628 1.00 32.13 O ATOM 1629 OE2 GLU A 105 0.695 -7.038 -19.080 1.00 24.41 O ATOM 0 H GLU A 105 4.276 -4.176 -18.452 1.00 55.14 H new ATOM 0 HA GLU A 105 3.291 -4.369 -15.878 1.00 10.31 H new ATOM 0 HB2 GLU A 105 3.941 -6.254 -18.106 1.00 22.11 H new ATOM 0 HB3 GLU A 105 3.693 -6.971 -16.526 1.00 22.11 H new ATOM 0 HG2 GLU A 105 1.470 -5.932 -16.368 1.00 61.21 H new ATOM 0 HG3 GLU A 105 1.717 -5.119 -17.901 1.00 61.21 H new ATOM 1636 N LYS A 106 6.370 -5.519 -16.162 1.00 13.22 N ATOM 1637 CA LYS A 106 7.551 -5.911 -15.403 1.00 2.24 C ATOM 1638 C LYS A 106 7.879 -4.874 -14.332 1.00 73.53 C ATOM 1639 O LYS A 106 8.130 -5.219 -13.177 1.00 53.51 O ATOM 1640 CB LYS A 106 8.749 -6.088 -16.339 1.00 34.41 C ATOM 1641 CG LYS A 106 9.820 -7.012 -15.787 1.00 64.31 C ATOM 1642 CD LYS A 106 9.649 -8.433 -16.298 1.00 33.14 C ATOM 1643 CE LYS A 106 9.573 -9.431 -15.153 1.00 21.55 C ATOM 1644 NZ LYS A 106 8.825 -10.660 -15.537 1.00 31.44 N ATOM 0 H LYS A 106 6.514 -5.469 -17.170 1.00 13.22 H new ATOM 0 HA LYS A 106 7.337 -6.860 -14.912 1.00 2.24 H new ATOM 0 HB2 LYS A 106 8.399 -6.481 -17.294 1.00 34.41 H new ATOM 0 HB3 LYS A 106 9.191 -5.112 -16.539 1.00 34.41 H new ATOM 0 HG2 LYS A 106 10.804 -6.639 -16.070 1.00 64.31 H new ATOM 0 HG3 LYS A 106 9.778 -7.009 -14.698 1.00 64.31 H new ATOM 0 HD2 LYS A 106 8.742 -8.498 -16.900 1.00 33.14 H new ATOM 0 HD3 LYS A 106 10.484 -8.689 -16.951 1.00 33.14 H new ATOM 0 HE2 LYS A 106 10.581 -9.702 -14.840 1.00 21.55 H new ATOM 0 HE3 LYS A 106 9.088 -8.964 -14.296 1.00 21.55 H new ATOM 0 HZ1 LYS A 106 8.796 -11.315 -14.730 1.00 31.44 H new ATOM 0 HZ2 LYS A 106 7.855 -10.405 -15.811 1.00 31.44 H new ATOM 0 HZ3 LYS A 106 9.301 -11.120 -16.339 1.00 31.44 H new ATOM 1658 N PHE A 107 7.873 -3.604 -14.723 1.00 61.45 N ATOM 1659 CA PHE A 107 8.169 -2.518 -13.797 1.00 42.10 C ATOM 1660 C PHE A 107 7.307 -2.623 -12.542 1.00 64.12 C ATOM 1661 O PHE A 107 7.803 -2.495 -11.423 1.00 43.33 O ATOM 1662 CB PHE A 107 7.940 -1.165 -14.474 1.00 64.15 C ATOM 1663 CG PHE A 107 9.203 -0.525 -14.976 1.00 40.14 C ATOM 1664 CD1 PHE A 107 10.003 -1.174 -15.903 1.00 42.41 C ATOM 1665 CD2 PHE A 107 9.589 0.726 -14.522 1.00 25.41 C ATOM 1666 CE1 PHE A 107 11.166 -0.587 -16.366 1.00 11.01 C ATOM 1667 CE2 PHE A 107 10.751 1.317 -14.981 1.00 50.44 C ATOM 1668 CZ PHE A 107 11.540 0.661 -15.905 1.00 74.55 C ATOM 0 H PHE A 107 7.666 -3.302 -15.675 1.00 61.45 H new ATOM 0 HA PHE A 107 9.216 -2.598 -13.505 1.00 42.10 H new ATOM 0 HB2 PHE A 107 7.252 -1.297 -15.309 1.00 64.15 H new ATOM 0 HB3 PHE A 107 7.457 -0.491 -13.767 1.00 64.15 H new ATOM 0 HD1 PHE A 107 9.715 -2.149 -16.268 1.00 42.41 H new ATOM 0 HD2 PHE A 107 8.975 1.245 -13.801 1.00 25.41 H new ATOM 0 HE1 PHE A 107 11.782 -1.103 -17.087 1.00 11.01 H new ATOM 0 HE2 PHE A 107 11.042 2.291 -14.617 1.00 50.44 H new ATOM 0 HZ PHE A 107 12.447 1.122 -16.267 1.00 74.55 H new ATOM 1678 N ALA A 108 6.014 -2.857 -12.738 1.00 31.12 N ATOM 1679 CA ALA A 108 5.083 -2.981 -11.623 1.00 71.02 C ATOM 1680 C ALA A 108 5.487 -4.121 -10.694 1.00 44.42 C ATOM 1681 O ALA A 108 5.400 -3.999 -9.473 1.00 13.13 O ATOM 1682 CB ALA A 108 3.668 -3.195 -12.139 1.00 74.10 C ATOM 0 H ALA A 108 5.587 -2.965 -13.658 1.00 31.12 H new ATOM 0 HA ALA A 108 5.114 -2.053 -11.051 1.00 71.02 H new ATOM 0 HB1 ALA A 108 2.983 -3.286 -11.296 1.00 74.10 H new ATOM 0 HB2 ALA A 108 3.373 -2.346 -12.756 1.00 74.10 H new ATOM 0 HB3 ALA A 108 3.632 -4.107 -12.735 1.00 74.10 H new ATOM 1688 N MET A 109 5.930 -5.228 -11.281 1.00 53.23 N ATOM 1689 CA MET A 109 6.348 -6.389 -10.505 1.00 21.22 C ATOM 1690 C MET A 109 7.492 -6.029 -9.562 1.00 61.41 C ATOM 1691 O MET A 109 7.479 -6.394 -8.387 1.00 51.22 O ATOM 1692 CB MET A 109 6.777 -7.525 -11.436 1.00 41.52 C ATOM 1693 CG MET A 109 7.079 -8.825 -10.710 1.00 35.41 C ATOM 1694 SD MET A 109 5.639 -9.905 -10.592 1.00 41.14 S ATOM 1695 CE MET A 109 6.195 -11.316 -11.545 1.00 43.35 C ATOM 0 H MET A 109 6.009 -5.345 -12.291 1.00 53.23 H new ATOM 0 HA MET A 109 5.499 -6.720 -9.908 1.00 21.22 H new ATOM 0 HB2 MET A 109 5.988 -7.702 -12.167 1.00 41.52 H new ATOM 0 HB3 MET A 109 7.662 -7.214 -11.991 1.00 41.52 H new ATOM 0 HG2 MET A 109 7.880 -9.350 -11.230 1.00 35.41 H new ATOM 0 HG3 MET A 109 7.443 -8.601 -9.707 1.00 35.41 H new ATOM 0 HE1 MET A 109 5.411 -12.073 -11.565 1.00 43.35 H new ATOM 0 HE2 MET A 109 6.421 -11.001 -12.564 1.00 43.35 H new ATOM 0 HE3 MET A 109 7.092 -11.734 -11.087 1.00 43.35 H new ATOM 1705 N GLY A 110 8.482 -5.312 -10.086 1.00 14.01 N ATOM 1706 CA GLY A 110 9.619 -4.916 -9.277 1.00 4.21 C ATOM 1707 C GLY A 110 9.214 -4.091 -8.071 1.00 65.22 C ATOM 1708 O GLY A 110 9.698 -4.319 -6.962 1.00 62.42 O ATOM 0 H GLY A 110 8.516 -4.999 -11.056 1.00 14.01 H new ATOM 0 HA2 GLY A 110 10.150 -5.807 -8.942 1.00 4.21 H new ATOM 0 HA3 GLY A 110 10.314 -4.342 -9.889 1.00 4.21 H new ATOM 1712 N LYS A 111 8.325 -3.128 -8.287 1.00 2.21 N ATOM 1713 CA LYS A 111 7.855 -2.265 -7.210 1.00 13.11 C ATOM 1714 C LYS A 111 7.365 -3.091 -6.025 1.00 25.41 C ATOM 1715 O LYS A 111 7.723 -2.821 -4.878 1.00 65.31 O ATOM 1716 CB LYS A 111 6.730 -1.357 -7.711 1.00 14.51 C ATOM 1717 CG LYS A 111 6.349 -0.261 -6.729 1.00 64.54 C ATOM 1718 CD LYS A 111 6.780 1.108 -7.228 1.00 31.05 C ATOM 1719 CE LYS A 111 8.295 1.243 -7.246 1.00 53.42 C ATOM 1720 NZ LYS A 111 8.858 0.989 -8.601 1.00 54.23 N ATOM 0 H LYS A 111 7.915 -2.925 -9.199 1.00 2.21 H new ATOM 0 HA LYS A 111 8.692 -1.649 -6.880 1.00 13.11 H new ATOM 0 HB2 LYS A 111 7.035 -0.900 -8.652 1.00 14.51 H new ATOM 0 HB3 LYS A 111 5.851 -1.965 -7.923 1.00 14.51 H new ATOM 0 HG2 LYS A 111 5.270 -0.270 -6.573 1.00 64.54 H new ATOM 0 HG3 LYS A 111 6.812 -0.460 -5.763 1.00 64.54 H new ATOM 0 HD2 LYS A 111 6.387 1.271 -8.232 1.00 31.05 H new ATOM 0 HD3 LYS A 111 6.352 1.881 -6.589 1.00 31.05 H new ATOM 0 HE2 LYS A 111 8.574 2.244 -6.918 1.00 53.42 H new ATOM 0 HE3 LYS A 111 8.731 0.542 -6.534 1.00 53.42 H new ATOM 0 HZ1 LYS A 111 9.710 0.398 -8.518 1.00 54.23 H new ATOM 0 HZ2 LYS A 111 8.151 0.498 -9.184 1.00 54.23 H new ATOM 0 HZ3 LYS A 111 9.107 1.894 -9.049 1.00 54.23 H new ATOM 1734 N ILE A 112 6.547 -4.099 -6.310 1.00 4.04 N ATOM 1735 CA ILE A 112 6.012 -4.966 -5.267 1.00 41.31 C ATOM 1736 C ILE A 112 7.132 -5.575 -4.430 1.00 13.31 C ATOM 1737 O ILE A 112 7.085 -5.550 -3.200 1.00 32.01 O ATOM 1738 CB ILE A 112 5.156 -6.100 -5.862 1.00 44.51 C ATOM 1739 CG1 ILE A 112 4.014 -5.520 -6.699 1.00 70.41 C ATOM 1740 CG2 ILE A 112 4.611 -6.988 -4.755 1.00 31.55 C ATOM 1741 CD1 ILE A 112 3.252 -6.564 -7.486 1.00 11.23 C ATOM 0 H ILE A 112 6.240 -4.335 -7.254 1.00 4.04 H new ATOM 0 HA ILE A 112 5.384 -4.343 -4.630 1.00 41.31 H new ATOM 0 HB ILE A 112 5.785 -6.708 -6.512 1.00 44.51 H new ATOM 0 HG12 ILE A 112 3.321 -4.996 -6.041 1.00 70.41 H new ATOM 0 HG13 ILE A 112 4.419 -4.780 -7.389 1.00 70.41 H new ATOM 0 HG21 ILE A 112 4.008 -7.785 -5.191 1.00 31.55 H new ATOM 0 HG22 ILE A 112 5.440 -7.424 -4.197 1.00 31.55 H new ATOM 0 HG23 ILE A 112 3.994 -6.393 -4.082 1.00 31.55 H new ATOM 0 HD11 ILE A 112 2.458 -6.082 -8.056 1.00 11.23 H new ATOM 0 HD12 ILE A 112 3.932 -7.072 -8.170 1.00 11.23 H new ATOM 0 HD13 ILE A 112 2.817 -7.291 -6.800 1.00 11.23 H new ATOM 1753 N ASP A 113 8.138 -6.119 -5.105 1.00 22.24 N ATOM 1754 CA ASP A 113 9.272 -6.732 -4.423 1.00 64.33 C ATOM 1755 C ASP A 113 9.883 -5.769 -3.410 1.00 62.12 C ATOM 1756 O ASP A 113 10.224 -6.161 -2.294 1.00 43.54 O ATOM 1757 CB ASP A 113 10.332 -7.164 -5.438 1.00 40.24 C ATOM 1758 CG ASP A 113 9.957 -8.444 -6.158 1.00 31.52 C ATOM 1759 OD1 ASP A 113 8.771 -8.598 -6.518 1.00 13.42 O ATOM 1760 OD2 ASP A 113 10.850 -9.293 -6.362 1.00 33.23 O ATOM 0 H ASP A 113 8.192 -6.148 -6.123 1.00 22.24 H new ATOM 0 HA ASP A 113 8.911 -7.611 -3.889 1.00 64.33 H new ATOM 0 HB2 ASP A 113 10.476 -6.368 -6.169 1.00 40.24 H new ATOM 0 HB3 ASP A 113 11.285 -7.304 -4.927 1.00 40.24 H new ATOM 1765 N ALA A 114 10.019 -4.508 -3.807 1.00 70.24 N ATOM 1766 CA ALA A 114 10.588 -3.489 -2.934 1.00 73.21 C ATOM 1767 C ALA A 114 9.749 -3.318 -1.672 1.00 2.31 C ATOM 1768 O ALA A 114 10.283 -3.248 -0.565 1.00 25.52 O ATOM 1769 CB ALA A 114 10.706 -2.166 -3.675 1.00 44.50 C ATOM 0 H ALA A 114 9.743 -4.168 -4.728 1.00 70.24 H new ATOM 0 HA ALA A 114 11.584 -3.815 -2.635 1.00 73.21 H new ATOM 0 HB1 ALA A 114 11.132 -1.414 -3.011 1.00 44.50 H new ATOM 0 HB2 ALA A 114 11.352 -2.292 -4.544 1.00 44.50 H new ATOM 0 HB3 ALA A 114 9.718 -1.843 -4.002 1.00 44.50 H new ATOM 1775 N TYR A 115 8.434 -3.249 -1.846 1.00 22.21 N ATOM 1776 CA TYR A 115 7.522 -3.082 -0.721 1.00 20.54 C ATOM 1777 C TYR A 115 7.802 -4.117 0.365 1.00 34.12 C ATOM 1778 O TYR A 115 7.755 -3.810 1.557 1.00 64.31 O ATOM 1779 CB TYR A 115 6.071 -3.200 -1.191 1.00 44.02 C ATOM 1780 CG TYR A 115 5.060 -3.055 -0.077 1.00 33.31 C ATOM 1781 CD1 TYR A 115 5.010 -1.903 0.698 1.00 54.15 C ATOM 1782 CD2 TYR A 115 4.153 -4.071 0.201 1.00 61.12 C ATOM 1783 CE1 TYR A 115 4.087 -1.767 1.717 1.00 5.01 C ATOM 1784 CE2 TYR A 115 3.226 -3.943 1.217 1.00 25.25 C ATOM 1785 CZ TYR A 115 3.198 -2.790 1.973 1.00 10.40 C ATOM 1786 OH TYR A 115 2.277 -2.657 2.987 1.00 71.52 O ATOM 0 H TYR A 115 7.976 -3.306 -2.755 1.00 22.21 H new ATOM 0 HA TYR A 115 7.681 -2.089 -0.302 1.00 20.54 H new ATOM 0 HB2 TYR A 115 5.879 -2.437 -1.946 1.00 44.02 H new ATOM 0 HB3 TYR A 115 5.932 -4.168 -1.673 1.00 44.02 H new ATOM 0 HD1 TYR A 115 5.705 -1.100 0.500 1.00 54.15 H new ATOM 0 HD2 TYR A 115 4.173 -4.976 -0.388 1.00 61.12 H new ATOM 0 HE1 TYR A 115 4.062 -0.865 2.310 1.00 5.01 H new ATOM 0 HE2 TYR A 115 2.527 -4.741 1.418 1.00 25.25 H new ATOM 0 HH TYR A 115 1.725 -3.465 3.036 1.00 71.52 H new ATOM 1796 N ILE A 116 8.092 -5.343 -0.056 1.00 63.20 N ATOM 1797 CA ILE A 116 8.381 -6.423 0.879 1.00 23.22 C ATOM 1798 C ILE A 116 9.707 -6.190 1.595 1.00 25.41 C ATOM 1799 O ILE A 116 9.852 -6.508 2.775 1.00 34.25 O ATOM 1800 CB ILE A 116 8.428 -7.788 0.166 1.00 3.34 C ATOM 1801 CG1 ILE A 116 7.158 -8.000 -0.660 1.00 43.21 C ATOM 1802 CG2 ILE A 116 8.601 -8.909 1.180 1.00 35.11 C ATOM 1803 CD1 ILE A 116 5.887 -7.934 0.157 1.00 23.34 C ATOM 0 H ILE A 116 8.133 -5.613 -1.039 1.00 63.20 H new ATOM 0 HA ILE A 116 7.573 -6.432 1.610 1.00 23.22 H new ATOM 0 HB ILE A 116 9.284 -7.800 -0.509 1.00 3.34 H new ATOM 0 HG12 ILE A 116 7.115 -7.245 -1.445 1.00 43.21 H new ATOM 0 HG13 ILE A 116 7.213 -8.970 -1.153 1.00 43.21 H new ATOM 0 HG21 ILE A 116 8.632 -9.867 0.661 1.00 35.11 H new ATOM 0 HG22 ILE A 116 9.531 -8.763 1.729 1.00 35.11 H new ATOM 0 HG23 ILE A 116 7.763 -8.901 1.877 1.00 35.11 H new ATOM 0 HD11 ILE A 116 5.027 -8.093 -0.494 1.00 23.34 H new ATOM 0 HD12 ILE A 116 5.908 -8.707 0.926 1.00 23.34 H new ATOM 0 HD13 ILE A 116 5.808 -6.955 0.629 1.00 23.34 H new ATOM 1815 N SER A 117 10.673 -5.632 0.873 1.00 44.32 N ATOM 1816 CA SER A 117 11.989 -5.357 1.438 1.00 23.52 C ATOM 1817 C SER A 117 11.895 -4.326 2.559 1.00 60.24 C ATOM 1818 O SER A 117 12.540 -4.464 3.598 1.00 54.41 O ATOM 1819 CB SER A 117 12.942 -4.859 0.350 1.00 54.25 C ATOM 1820 OG SER A 117 14.091 -5.683 0.260 1.00 33.34 O ATOM 0 H SER A 117 10.569 -5.361 -0.105 1.00 44.32 H new ATOM 0 HA SER A 117 12.379 -6.286 1.854 1.00 23.52 H new ATOM 0 HB2 SER A 117 12.426 -4.844 -0.610 1.00 54.25 H new ATOM 0 HB3 SER A 117 13.242 -3.834 0.567 1.00 54.25 H new ATOM 0 HG SER A 117 14.683 -5.344 -0.444 1.00 33.34 H new ATOM 1826 N GLN A 118 11.087 -3.294 2.338 1.00 62.21 N ATOM 1827 CA GLN A 118 10.909 -2.239 3.328 1.00 13.12 C ATOM 1828 C GLN A 118 9.549 -2.356 4.009 1.00 2.13 C ATOM 1829 O GLN A 118 8.679 -1.503 3.834 1.00 42.52 O ATOM 1830 CB GLN A 118 11.046 -0.865 2.671 1.00 44.34 C ATOM 1831 CG GLN A 118 10.214 -0.708 1.408 1.00 24.30 C ATOM 1832 CD GLN A 118 11.065 -0.512 0.169 1.00 43.41 C ATOM 1833 OE1 GLN A 118 12.122 -1.307 0.044 1.00 31.43 O flip ATOM 1834 NE2 GLN A 118 10.777 0.346 -0.667 1.00 54.55 N flip ATOM 0 H GLN A 118 10.546 -3.166 1.483 1.00 62.21 H new ATOM 0 HA GLN A 118 11.686 -2.351 4.085 1.00 13.12 H new ATOM 0 HB2 GLN A 118 10.752 -0.098 3.387 1.00 44.34 H new ATOM 0 HB3 GLN A 118 12.094 -0.690 2.429 1.00 44.34 H new ATOM 0 HG2 GLN A 118 9.588 -1.591 1.278 1.00 24.30 H new ATOM 0 HG3 GLN A 118 9.544 0.144 1.522 1.00 24.30 H new ATOM 0 HE21 GLN A 118 9.956 0.935 -0.531 1.00 54.55 H new ATOM 0 HE22 GLN A 118 11.360 0.467 -1.495 1.00 54.55 H new ATOM 1843 N LYS A 119 9.372 -3.418 4.787 1.00 22.43 N ATOM 1844 CA LYS A 119 8.119 -3.648 5.496 1.00 10.13 C ATOM 1845 C LYS A 119 8.348 -3.696 7.004 1.00 54.43 C ATOM 1846 O LYS A 119 7.408 -3.564 7.789 1.00 63.34 O ATOM 1847 CB LYS A 119 7.475 -4.954 5.026 1.00 53.11 C ATOM 1848 CG LYS A 119 5.990 -4.829 4.734 1.00 55.44 C ATOM 1849 CD LYS A 119 5.421 -6.120 4.169 1.00 45.11 C ATOM 1850 CE LYS A 119 3.922 -6.220 4.406 1.00 44.02 C ATOM 1851 NZ LYS A 119 3.603 -7.079 5.579 1.00 35.13 N ATOM 0 H LYS A 119 10.082 -4.134 4.943 1.00 22.43 H new ATOM 0 HA LYS A 119 7.448 -2.819 5.274 1.00 10.13 H new ATOM 0 HB2 LYS A 119 7.986 -5.298 4.127 1.00 53.11 H new ATOM 0 HB3 LYS A 119 7.624 -5.718 5.789 1.00 53.11 H new ATOM 0 HG2 LYS A 119 5.459 -4.567 5.649 1.00 55.44 H new ATOM 0 HG3 LYS A 119 5.825 -4.017 4.026 1.00 55.44 H new ATOM 0 HD2 LYS A 119 5.625 -6.171 3.100 1.00 45.11 H new ATOM 0 HD3 LYS A 119 5.921 -6.972 4.630 1.00 45.11 H new ATOM 0 HE2 LYS A 119 3.512 -5.223 4.564 1.00 44.02 H new ATOM 0 HE3 LYS A 119 3.440 -6.626 3.517 1.00 44.02 H new ATOM 0 HZ1 LYS A 119 2.572 -7.122 5.708 1.00 35.13 H new ATOM 0 HZ2 LYS A 119 3.972 -8.038 5.418 1.00 35.13 H new ATOM 0 HZ3 LYS A 119 4.042 -6.678 6.432 1.00 35.13 H new ATOM 1865 N VAL A 120 9.602 -3.883 7.402 1.00 71.01 N ATOM 1866 CA VAL A 120 9.954 -3.945 8.815 1.00 21.24 C ATOM 1867 C VAL A 120 9.743 -2.597 9.494 1.00 0.42 C ATOM 1868 O VAL A 120 9.291 -2.529 10.636 1.00 12.33 O ATOM 1869 CB VAL A 120 11.418 -4.382 9.010 1.00 22.13 C ATOM 1870 CG1 VAL A 120 11.892 -4.050 10.417 1.00 31.10 C ATOM 1871 CG2 VAL A 120 11.573 -5.868 8.724 1.00 60.05 C ATOM 0 H VAL A 120 10.391 -3.994 6.766 1.00 71.01 H new ATOM 0 HA VAL A 120 9.297 -4.685 9.272 1.00 21.24 H new ATOM 0 HB VAL A 120 12.040 -3.832 8.304 1.00 22.13 H new ATOM 0 HG11 VAL A 120 12.928 -4.366 10.536 1.00 31.10 H new ATOM 0 HG12 VAL A 120 11.819 -2.975 10.581 1.00 31.10 H new ATOM 0 HG13 VAL A 120 11.268 -4.571 11.143 1.00 31.10 H new ATOM 0 HG21 VAL A 120 12.614 -6.159 8.867 1.00 60.05 H new ATOM 0 HG22 VAL A 120 10.940 -6.437 9.405 1.00 60.05 H new ATOM 0 HG23 VAL A 120 11.276 -6.073 7.695 1.00 60.05 H new ATOM 1881 N GLY A 121 10.074 -1.523 8.782 1.00 34.42 N ATOM 1882 CA GLY A 121 9.913 -0.190 9.332 1.00 72.01 C ATOM 1883 C GLY A 121 10.469 0.885 8.419 1.00 75.43 C ATOM 1884 O GLY A 121 11.376 1.624 8.798 1.00 31.53 O ATOM 0 H GLY A 121 10.451 -1.553 7.835 1.00 34.42 H new ATOM 0 HA2 GLY A 121 8.855 0.001 9.510 1.00 72.01 H new ATOM 0 HA3 GLY A 121 10.414 -0.136 10.299 1.00 72.01 H new ATOM 1888 N GLY A 122 9.924 0.971 7.209 1.00 55.21 N ATOM 1889 CA GLY A 122 10.385 1.965 6.257 1.00 74.10 C ATOM 1890 C GLY A 122 9.442 2.121 5.080 1.00 2.41 C ATOM 1891 O GLY A 122 9.855 2.532 3.995 1.00 62.13 O ATOM 0 H GLY A 122 9.172 0.370 6.871 1.00 55.21 H new ATOM 0 HA2 GLY A 122 10.493 2.925 6.762 1.00 74.10 H new ATOM 0 HA3 GLY A 122 11.373 1.684 5.892 1.00 74.10 H new ATOM 1895 N LEU A 123 8.173 1.793 5.293 1.00 32.40 N ATOM 1896 CA LEU A 123 7.168 1.897 4.240 1.00 4.22 C ATOM 1897 C LEU A 123 5.799 1.457 4.748 1.00 2.12 C ATOM 1898 O LEU A 123 4.773 2.002 4.344 1.00 13.45 O ATOM 1899 CB LEU A 123 7.575 1.048 3.034 1.00 13.33 C ATOM 1900 CG LEU A 123 7.429 1.714 1.665 1.00 31.33 C ATOM 1901 CD1 LEU A 123 5.976 2.078 1.401 1.00 3.41 C ATOM 1902 CD2 LEU A 123 8.315 2.947 1.575 1.00 44.23 C ATOM 0 H LEU A 123 7.815 1.453 6.185 1.00 32.40 H new ATOM 0 HA LEU A 123 7.103 2.942 3.936 1.00 4.22 H new ATOM 0 HB2 LEU A 123 8.615 0.748 3.161 1.00 13.33 H new ATOM 0 HB3 LEU A 123 6.977 0.137 3.038 1.00 13.33 H new ATOM 0 HG LEU A 123 7.749 1.005 0.901 1.00 31.33 H new ATOM 0 HD11 LEU A 123 5.891 2.551 0.423 1.00 3.41 H new ATOM 0 HD12 LEU A 123 5.365 1.175 1.422 1.00 3.41 H new ATOM 0 HD13 LEU A 123 5.629 2.769 2.169 1.00 3.41 H new ATOM 0 HD21 LEU A 123 8.198 3.408 0.594 1.00 44.23 H new ATOM 0 HD22 LEU A 123 8.026 3.660 2.348 1.00 44.23 H new ATOM 0 HD23 LEU A 123 9.356 2.658 1.719 1.00 44.23 H new ATOM 1914 N GLU A 124 5.793 0.469 5.637 1.00 21.23 N ATOM 1915 CA GLU A 124 4.550 -0.043 6.201 1.00 15.12 C ATOM 1916 C GLU A 124 3.611 -0.528 5.099 1.00 4.54 C ATOM 1917 O GLU A 124 2.650 0.154 4.745 1.00 3.20 O ATOM 1918 CB GLU A 124 3.859 1.038 7.035 1.00 11.22 C ATOM 1919 CG GLU A 124 4.328 1.085 8.480 1.00 41.14 C ATOM 1920 CD GLU A 124 3.426 1.929 9.359 1.00 33.41 C ATOM 1921 OE1 GLU A 124 2.415 2.451 8.843 1.00 4.10 O ATOM 1922 OE2 GLU A 124 3.729 2.067 10.562 1.00 23.53 O ATOM 0 H GLU A 124 6.635 0.007 5.982 1.00 21.23 H new ATOM 0 HA GLU A 124 4.794 -0.888 6.845 1.00 15.12 H new ATOM 0 HB2 GLU A 124 4.035 2.009 6.573 1.00 11.22 H new ATOM 0 HB3 GLU A 124 2.783 0.867 7.017 1.00 11.22 H new ATOM 0 HG2 GLU A 124 4.371 0.071 8.877 1.00 41.14 H new ATOM 0 HG3 GLU A 124 5.342 1.484 8.516 1.00 41.14 H new TER 1929 GLU A 124