USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 853 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 92 LYS NZ :NH3+ -131:sc= 0.042 (180deg=-0.0316) USER MOD Set 1.2: A 96 GLN : amide:sc= 0.0446 X(o=0.087,f=-0.043) USER MOD Set 2.1: A 67 THR OG1 : rot -61:sc= -0.82 USER MOD Set 2.2: A 101 GLN : amide:sc= 0 X(o=-0.82,f=-1.2) USER MOD Set 3.1: A 21 THR OG1 : rot -130:sc= 0 USER MOD Set 3.2: A 45 GLN : amide:sc= -0.135 K(o=-0.14,f=-2.5!) USER MOD Set 4.1: A 15 THR OG1 : rot -177:sc= 0.527 USER MOD Set 4.2: A 49 TYR OH : rot 130:sc= -0.477 USER MOD Set 4.3: A 56 LYS NZ :NH3+ 161:sc= 0.92 (180deg=0) USER MOD Single : A 1 CYS N :NH3+ 159:sc= 0.275 (180deg=0.14) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.127 USER MOD Single : A 3 SER OG : rot 180:sc= 0.099 USER MOD Single : A 5 THR OG1 : rot -57:sc= -4.88! USER MOD Single : A 8 THR OG1 : rot 4:sc= 0.795 USER MOD Single : A 10 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.00068) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.8!) USER MOD Single : A 17 THR OG1 : rot 63:sc= 0.624 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 34 ASN : amide:sc= -8.72! K(o=-8.7!,f=-2) USER MOD Single : A 36 GLN : amide:sc= -3.3 K(o=-3.3,f=-10!) USER MOD Single : A 39 GLN : amide:sc= -6.64! C(o=-6.6!,f=-3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.213 K(o=-0.21,f=-3.6!) USER MOD Single : A 51 SER OG : rot 160:sc= 0 USER MOD Single : A 53 TYR OH : rot 100:sc= 0.256 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 91:sc= 1.2 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 73 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.46) USER MOD Single : A 74 SER OG : rot -70:sc= -0.26 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 123:sc= 0.93 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 155:sc= -0.0384 (180deg=-0.427) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -1.53 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 80.712 11.689 14.884 1.00 0.00 N ATOM 2 CA CYS A 1 79.712 12.113 13.865 1.00 0.00 C ATOM 3 C CYS A 1 78.414 11.341 14.077 1.00 0.00 C ATOM 4 O CYS A 1 77.364 11.931 14.331 1.00 0.00 O ATOM 5 CB CYS A 1 80.262 11.832 12.465 1.00 0.00 C ATOM 6 SG CYS A 1 81.795 12.761 12.221 1.00 0.00 S ATOM 0 H1 CYS A 1 81.669 11.921 14.549 1.00 0.00 H new ATOM 0 H2 CYS A 1 80.528 12.186 15.779 1.00 0.00 H new ATOM 0 H3 CYS A 1 80.638 10.663 15.037 1.00 0.00 H new ATOM 0 HA CYS A 1 79.515 13.180 13.965 1.00 0.00 H new ATOM 0 HB2 CYS A 1 80.448 10.765 12.343 1.00 0.00 H new ATOM 0 HB3 CYS A 1 79.528 12.116 11.711 1.00 0.00 H new ATOM 0 HG CYS A 1 82.264 12.521 11.032 1.00 0.00 H new ATOM 14 N ASP A 2 78.495 10.019 13.970 1.00 0.00 N ATOM 15 CA ASP A 2 77.320 9.175 14.151 1.00 0.00 C ATOM 16 C ASP A 2 77.735 7.731 14.413 1.00 0.00 C ATOM 17 O ASP A 2 77.108 6.796 13.915 1.00 0.00 O ATOM 18 CB ASP A 2 76.437 9.236 12.904 1.00 0.00 C ATOM 19 CG ASP A 2 77.261 8.897 11.666 1.00 0.00 C ATOM 20 OD1 ASP A 2 77.689 7.760 11.557 1.00 0.00 O ATOM 21 OD2 ASP A 2 77.452 9.780 10.847 1.00 0.00 O ATOM 0 H ASP A 2 79.355 9.512 13.761 1.00 0.00 H new ATOM 0 HA ASP A 2 76.760 9.542 15.011 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.607 8.537 13.001 1.00 0.00 H new ATOM 0 HB3 ASP A 2 76.005 10.232 12.802 1.00 0.00 H new ATOM 26 N SER A 3 78.793 7.557 15.197 1.00 0.00 N ATOM 27 CA SER A 3 79.280 6.221 15.517 1.00 0.00 C ATOM 28 C SER A 3 78.169 5.384 16.140 1.00 0.00 C ATOM 29 O SER A 3 77.465 5.840 17.040 1.00 0.00 O ATOM 30 CB SER A 3 80.458 6.310 16.486 1.00 0.00 C ATOM 31 OG SER A 3 80.391 7.541 17.194 1.00 0.00 O ATOM 0 H SER A 3 79.326 8.317 15.619 1.00 0.00 H new ATOM 0 HA SER A 3 79.608 5.744 14.594 1.00 0.00 H new ATOM 0 HB2 SER A 3 80.433 5.474 17.184 1.00 0.00 H new ATOM 0 HB3 SER A 3 81.399 6.242 15.940 1.00 0.00 H new ATOM 0 HG SER A 3 81.144 7.601 17.818 1.00 0.00 H new ATOM 37 N GLY A 4 78.017 4.157 15.653 1.00 0.00 N ATOM 38 CA GLY A 4 76.986 3.265 16.168 1.00 0.00 C ATOM 39 C GLY A 4 75.946 2.964 15.095 1.00 0.00 C ATOM 40 O GLY A 4 75.647 3.810 14.253 1.00 0.00 O ATOM 0 H GLY A 4 78.590 3.760 14.908 1.00 0.00 H new ATOM 0 HA2 GLY A 4 77.441 2.336 16.511 1.00 0.00 H new ATOM 0 HA3 GLY A 4 76.502 3.721 17.032 1.00 0.00 H new ATOM 44 N THR A 5 75.401 1.754 15.130 1.00 0.00 N ATOM 45 CA THR A 5 74.397 1.352 14.152 1.00 0.00 C ATOM 46 C THR A 5 73.778 0.014 14.539 1.00 0.00 C ATOM 47 O THR A 5 73.570 -0.268 15.719 1.00 0.00 O ATOM 48 CB THR A 5 75.040 1.237 12.768 1.00 0.00 C ATOM 49 OG1 THR A 5 76.109 2.167 12.669 1.00 0.00 O ATOM 50 CG2 THR A 5 74.001 1.541 11.687 1.00 0.00 C ATOM 0 H THR A 5 75.635 1.039 15.819 1.00 0.00 H new ATOM 0 HA THR A 5 73.612 2.108 14.129 1.00 0.00 H new ATOM 0 HB THR A 5 75.418 0.224 12.628 1.00 0.00 H new ATOM 0 HG1 THR A 5 75.774 3.071 12.847 1.00 0.00 H new ATOM 0 HG21 THR A 5 74.464 1.458 10.704 1.00 0.00 H new ATOM 0 HG22 THR A 5 73.179 0.829 11.762 1.00 0.00 H new ATOM 0 HG23 THR A 5 73.619 2.553 11.824 1.00 0.00 H new ATOM 58 N GLY A 6 73.490 -0.808 13.536 1.00 0.00 N ATOM 59 CA GLY A 6 72.898 -2.117 13.779 1.00 0.00 C ATOM 60 C GLY A 6 73.549 -3.175 12.897 1.00 0.00 C ATOM 61 O GLY A 6 73.143 -4.337 12.902 1.00 0.00 O ATOM 0 H GLY A 6 73.656 -0.592 12.553 1.00 0.00 H new ATOM 0 HA2 GLY A 6 73.018 -2.387 14.828 1.00 0.00 H new ATOM 0 HA3 GLY A 6 71.827 -2.080 13.580 1.00 0.00 H new ATOM 65 N LEU A 7 74.562 -2.764 12.141 1.00 0.00 N ATOM 66 CA LEU A 7 75.266 -3.684 11.256 1.00 0.00 C ATOM 67 C LEU A 7 75.381 -5.061 11.901 1.00 0.00 C ATOM 68 O LEU A 7 75.376 -5.186 13.125 1.00 0.00 O ATOM 69 CB LEU A 7 76.663 -3.141 10.945 1.00 0.00 C ATOM 70 CG LEU A 7 76.731 -2.697 9.481 1.00 0.00 C ATOM 71 CD1 LEU A 7 76.546 -3.913 8.571 1.00 0.00 C ATOM 72 CD2 LEU A 7 75.622 -1.679 9.200 1.00 0.00 C ATOM 0 H LEU A 7 74.912 -1.806 12.123 1.00 0.00 H new ATOM 0 HA LEU A 7 74.700 -3.777 10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 7 76.891 -2.301 11.601 1.00 0.00 H new ATOM 0 HB3 LEU A 7 77.413 -3.908 11.137 1.00 0.00 H new ATOM 0 HG LEU A 7 77.701 -2.239 9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 7 76.594 -3.598 7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 7 77.336 -4.638 8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 7 75.576 -4.370 8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 7 75.672 -1.364 8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 7 74.651 -2.135 9.395 1.00 0.00 H new ATOM 0 HD23 LEU A 7 75.752 -0.812 9.847 1.00 0.00 H new ATOM 84 N THR A 8 75.482 -6.092 11.069 1.00 0.00 N ATOM 85 CA THR A 8 75.594 -7.457 11.570 1.00 0.00 C ATOM 86 C THR A 8 76.730 -8.196 10.871 1.00 0.00 C ATOM 87 O THR A 8 76.981 -9.369 11.147 1.00 0.00 O ATOM 88 CB THR A 8 74.280 -8.208 11.340 1.00 0.00 C ATOM 89 OG1 THR A 8 74.493 -9.600 11.528 1.00 0.00 O ATOM 90 CG2 THR A 8 73.785 -7.953 9.915 1.00 0.00 C ATOM 0 H THR A 8 75.489 -6.010 10.052 1.00 0.00 H new ATOM 0 HA THR A 8 75.807 -7.413 12.638 1.00 0.00 H new ATOM 0 HB THR A 8 73.531 -7.855 12.049 1.00 0.00 H new ATOM 0 HG1 THR A 8 75.415 -9.753 11.822 1.00 0.00 H new ATOM 0 HG21 THR A 8 72.850 -8.489 9.753 1.00 0.00 H new ATOM 0 HG22 THR A 8 73.621 -6.885 9.773 1.00 0.00 H new ATOM 0 HG23 THR A 8 74.531 -8.304 9.202 1.00 0.00 H new ATOM 98 N GLY A 9 77.412 -7.502 9.966 1.00 0.00 N ATOM 99 CA GLY A 9 78.521 -8.103 9.231 1.00 0.00 C ATOM 100 C GLY A 9 78.254 -9.578 8.947 1.00 0.00 C ATOM 101 O GLY A 9 79.046 -10.444 9.320 1.00 0.00 O ATOM 0 H GLY A 9 77.219 -6.530 9.724 1.00 0.00 H new ATOM 0 HA2 GLY A 9 78.671 -7.570 8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 9 79.441 -8.001 9.806 1.00 0.00 H new ATOM 105 N ASN A 10 77.133 -9.855 8.289 1.00 0.00 N ATOM 106 CA ASN A 10 76.768 -11.229 7.961 1.00 0.00 C ATOM 107 C ASN A 10 78.008 -12.057 7.632 1.00 0.00 C ATOM 108 O ASN A 10 78.494 -12.822 8.465 1.00 0.00 O ATOM 109 CB ASN A 10 75.812 -11.244 6.766 1.00 0.00 C ATOM 110 CG ASN A 10 74.369 -11.337 7.251 1.00 0.00 C ATOM 111 OD1 ASN A 10 73.558 -10.457 6.963 1.00 0.00 O ATOM 112 ND2 ASN A 10 73.998 -12.358 7.975 1.00 0.00 N ATOM 0 H ASN A 10 76.465 -9.151 7.974 1.00 0.00 H new ATOM 0 HA ASN A 10 76.276 -11.667 8.829 1.00 0.00 H new ATOM 0 HB2 ASN A 10 75.947 -10.340 6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 10 76.041 -12.090 6.117 1.00 0.00 H new ATOM 0 HD21 ASN A 10 73.035 -12.427 8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 10 74.671 -13.086 8.213 1.00 0.00 H new ATOM 119 N TYR A 11 78.513 -11.900 6.413 1.00 0.00 N ATOM 120 CA TYR A 11 79.695 -12.639 5.984 1.00 0.00 C ATOM 121 C TYR A 11 80.228 -12.073 4.671 1.00 0.00 C ATOM 122 O TYR A 11 80.298 -10.857 4.494 1.00 0.00 O ATOM 123 CB TYR A 11 79.347 -14.119 5.802 1.00 0.00 C ATOM 124 CG TYR A 11 80.599 -14.955 5.928 1.00 0.00 C ATOM 125 CD1 TYR A 11 81.309 -14.979 7.135 1.00 0.00 C ATOM 126 CD2 TYR A 11 81.049 -15.708 4.837 1.00 0.00 C ATOM 127 CE1 TYR A 11 82.469 -15.755 7.249 1.00 0.00 C ATOM 128 CE2 TYR A 11 82.208 -16.485 4.952 1.00 0.00 C ATOM 129 CZ TYR A 11 82.918 -16.508 6.158 1.00 0.00 C ATOM 130 OH TYR A 11 84.062 -17.272 6.271 1.00 0.00 O ATOM 0 H TYR A 11 78.126 -11.272 5.709 1.00 0.00 H new ATOM 0 HA TYR A 11 80.464 -12.540 6.750 1.00 0.00 H new ATOM 0 HB2 TYR A 11 78.616 -14.426 6.551 1.00 0.00 H new ATOM 0 HB3 TYR A 11 78.889 -14.278 4.826 1.00 0.00 H new ATOM 0 HD1 TYR A 11 80.962 -14.399 7.978 1.00 0.00 H new ATOM 0 HD2 TYR A 11 80.502 -15.690 3.906 1.00 0.00 H new ATOM 0 HE1 TYR A 11 83.017 -15.772 8.179 1.00 0.00 H new ATOM 0 HE2 TYR A 11 82.554 -17.067 4.110 1.00 0.00 H new ATOM 0 HH TYR A 11 84.233 -17.733 5.423 1.00 0.00 H new ATOM 140 N SER A 12 80.599 -12.960 3.754 1.00 0.00 N ATOM 141 CA SER A 12 81.119 -12.529 2.461 1.00 0.00 C ATOM 142 C SER A 12 80.147 -11.559 1.798 1.00 0.00 C ATOM 143 O SER A 12 80.551 -10.529 1.260 1.00 0.00 O ATOM 144 CB SER A 12 81.336 -13.739 1.553 1.00 0.00 C ATOM 145 OG SER A 12 81.177 -13.343 0.197 1.00 0.00 O ATOM 0 H SER A 12 80.550 -13.971 3.879 1.00 0.00 H new ATOM 0 HA SER A 12 82.072 -12.024 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 12 82.333 -14.151 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 12 80.623 -14.526 1.800 1.00 0.00 H new ATOM 0 HG SER A 12 81.317 -14.116 -0.388 1.00 0.00 H new ATOM 151 N GLN A 13 78.862 -11.897 1.844 1.00 0.00 N ATOM 152 CA GLN A 13 77.837 -11.050 1.247 1.00 0.00 C ATOM 153 C GLN A 13 77.962 -9.621 1.765 1.00 0.00 C ATOM 154 O GLN A 13 77.803 -8.661 1.013 1.00 0.00 O ATOM 155 CB GLN A 13 76.444 -11.595 1.575 1.00 0.00 C ATOM 156 CG GLN A 13 76.513 -12.472 2.827 1.00 0.00 C ATOM 157 CD GLN A 13 75.114 -12.606 3.441 1.00 0.00 C ATOM 158 OE1 GLN A 13 74.164 -12.008 2.936 1.00 0.00 O ATOM 159 NE2 GLN A 13 74.917 -13.356 4.503 1.00 0.00 N ATOM 0 H GLN A 13 78.508 -12.746 2.285 1.00 0.00 H new ATOM 0 HA GLN A 13 77.977 -11.050 0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 13 75.749 -10.771 1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 13 76.063 -12.175 0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 13 76.905 -13.457 2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 13 77.199 -12.034 3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 13 75.699 -13.855 4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 13 73.982 -13.439 4.902 1.00 0.00 H new ATOM 168 N ASP A 14 78.247 -9.489 3.055 1.00 0.00 N ATOM 169 CA ASP A 14 78.396 -8.172 3.662 1.00 0.00 C ATOM 170 C ASP A 14 79.720 -7.536 3.250 1.00 0.00 C ATOM 171 O ASP A 14 79.833 -6.312 3.172 1.00 0.00 O ATOM 172 CB ASP A 14 78.336 -8.289 5.186 1.00 0.00 C ATOM 173 CG ASP A 14 77.654 -7.060 5.776 1.00 0.00 C ATOM 174 OD1 ASP A 14 78.251 -5.997 5.733 1.00 0.00 O ATOM 175 OD2 ASP A 14 76.544 -7.199 6.262 1.00 0.00 O ATOM 0 H ASP A 14 78.379 -10.271 3.697 1.00 0.00 H new ATOM 0 HA ASP A 14 77.580 -7.539 3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 14 77.790 -9.189 5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 14 79.343 -8.386 5.592 1.00 0.00 H new ATOM 180 N THR A 15 80.723 -8.372 2.998 1.00 0.00 N ATOM 181 CA THR A 15 82.037 -7.873 2.607 1.00 0.00 C ATOM 182 C THR A 15 81.975 -7.167 1.256 1.00 0.00 C ATOM 183 O THR A 15 82.493 -6.064 1.105 1.00 0.00 O ATOM 184 CB THR A 15 83.039 -9.027 2.535 1.00 0.00 C ATOM 185 OG1 THR A 15 82.766 -9.954 3.577 1.00 0.00 O ATOM 186 CG2 THR A 15 84.460 -8.481 2.692 1.00 0.00 C ATOM 0 H THR A 15 80.653 -9.388 3.057 1.00 0.00 H new ATOM 0 HA THR A 15 82.362 -7.155 3.360 1.00 0.00 H new ATOM 0 HB THR A 15 82.950 -9.528 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 15 83.435 -10.670 3.561 1.00 0.00 H new ATOM 0 HG21 THR A 15 85.174 -9.303 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 15 84.667 -7.770 1.892 1.00 0.00 H new ATOM 0 HG23 THR A 15 84.553 -7.980 3.655 1.00 0.00 H new ATOM 194 N LEU A 16 81.340 -7.801 0.276 1.00 0.00 N ATOM 195 CA LEU A 16 81.230 -7.202 -1.051 1.00 0.00 C ATOM 196 C LEU A 16 80.200 -6.078 -1.044 1.00 0.00 C ATOM 197 O LEU A 16 80.317 -5.112 -1.798 1.00 0.00 O ATOM 198 CB LEU A 16 80.836 -8.260 -2.085 1.00 0.00 C ATOM 199 CG LEU A 16 79.550 -8.959 -1.646 1.00 0.00 C ATOM 200 CD1 LEU A 16 78.359 -8.367 -2.403 1.00 0.00 C ATOM 201 CD2 LEU A 16 79.654 -10.454 -1.955 1.00 0.00 C ATOM 0 H LEU A 16 80.899 -8.716 0.371 1.00 0.00 H new ATOM 0 HA LEU A 16 82.202 -6.789 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 16 80.693 -7.794 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 16 81.638 -8.990 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 16 79.407 -8.814 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 16 77.443 -8.867 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 16 78.284 -7.301 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 16 78.501 -8.510 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 16 78.738 -10.955 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 16 79.797 -10.595 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 16 80.501 -10.879 -1.417 1.00 0.00 H new ATOM 213 N THR A 17 79.195 -6.207 -0.185 1.00 0.00 N ATOM 214 CA THR A 17 78.155 -5.191 -0.087 1.00 0.00 C ATOM 215 C THR A 17 78.765 -3.849 0.302 1.00 0.00 C ATOM 216 O THR A 17 78.440 -2.815 -0.281 1.00 0.00 O ATOM 217 CB THR A 17 77.115 -5.605 0.957 1.00 0.00 C ATOM 218 OG1 THR A 17 76.492 -6.815 0.547 1.00 0.00 O ATOM 219 CG2 THR A 17 76.061 -4.507 1.097 1.00 0.00 C ATOM 0 H THR A 17 79.079 -6.998 0.448 1.00 0.00 H new ATOM 0 HA THR A 17 77.670 -5.093 -1.058 1.00 0.00 H new ATOM 0 HB THR A 17 77.606 -5.756 1.919 1.00 0.00 H new ATOM 0 HG1 THR A 17 77.162 -7.529 0.503 1.00 0.00 H new ATOM 0 HG21 THR A 17 75.322 -4.805 1.841 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.541 -3.580 1.412 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.568 -4.352 0.138 1.00 0.00 H new ATOM 227 N VAL A 18 79.655 -3.876 1.289 1.00 0.00 N ATOM 228 CA VAL A 18 80.309 -2.656 1.748 1.00 0.00 C ATOM 229 C VAL A 18 81.210 -2.087 0.656 1.00 0.00 C ATOM 230 O VAL A 18 81.066 -0.928 0.266 1.00 0.00 O ATOM 231 CB VAL A 18 81.137 -2.947 3.001 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.961 -1.712 3.369 1.00 0.00 C ATOM 233 CG2 VAL A 18 80.198 -3.296 4.157 1.00 0.00 C ATOM 0 H VAL A 18 79.938 -4.722 1.783 1.00 0.00 H new ATOM 0 HA VAL A 18 79.540 -1.921 1.986 1.00 0.00 H new ATOM 0 HB VAL A 18 81.808 -3.784 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 18 82.550 -1.921 4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.628 -1.461 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 18 81.293 -0.873 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.784 -3.504 5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 18 79.529 -2.457 4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 18 79.610 -4.176 3.895 1.00 0.00 H new ATOM 243 N ILE A 19 82.133 -2.906 0.162 1.00 0.00 N ATOM 244 CA ILE A 19 83.040 -2.460 -0.890 1.00 0.00 C ATOM 245 C ILE A 19 82.265 -2.125 -2.146 1.00 0.00 C ATOM 246 O ILE A 19 82.696 -1.300 -2.949 1.00 0.00 O ATOM 247 CB ILE A 19 84.083 -3.535 -1.207 1.00 0.00 C ATOM 248 CG1 ILE A 19 84.726 -4.042 0.080 1.00 0.00 C ATOM 249 CG2 ILE A 19 85.180 -2.950 -2.099 1.00 0.00 C ATOM 250 CD1 ILE A 19 85.661 -5.202 -0.263 1.00 0.00 C ATOM 0 H ILE A 19 82.272 -3.869 0.468 1.00 0.00 H new ATOM 0 HA ILE A 19 83.553 -1.568 -0.532 1.00 0.00 H new ATOM 0 HB ILE A 19 83.583 -4.357 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 19 85.281 -3.240 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 19 83.959 -4.370 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 19 85.918 -3.721 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 19 84.740 -2.591 -3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 19 85.664 -2.121 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 19 86.128 -5.575 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 19 85.090 -6.003 -0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 19 86.433 -4.856 -0.951 1.00 0.00 H new ATOM 262 N ALA A 20 81.125 -2.771 -2.322 1.00 0.00 N ATOM 263 CA ALA A 20 80.325 -2.523 -3.502 1.00 0.00 C ATOM 264 C ALA A 20 79.964 -1.047 -3.602 1.00 0.00 C ATOM 265 O ALA A 20 79.921 -0.483 -4.696 1.00 0.00 O ATOM 266 CB ALA A 20 79.054 -3.374 -3.477 1.00 0.00 C ATOM 0 H ALA A 20 80.740 -3.459 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 20 80.913 -2.799 -4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 20 78.465 -3.174 -4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 20 79.324 -4.430 -3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 20 78.467 -3.125 -2.593 1.00 0.00 H new ATOM 272 N THR A 21 79.722 -0.419 -2.458 1.00 0.00 N ATOM 273 CA THR A 21 79.387 0.997 -2.443 1.00 0.00 C ATOM 274 C THR A 21 80.633 1.818 -2.745 1.00 0.00 C ATOM 275 O THR A 21 80.554 2.901 -3.324 1.00 0.00 O ATOM 276 CB THR A 21 78.819 1.391 -1.077 1.00 0.00 C ATOM 277 OG1 THR A 21 77.868 0.419 -0.664 1.00 0.00 O ATOM 278 CG2 THR A 21 78.142 2.758 -1.178 1.00 0.00 C ATOM 0 H THR A 21 79.751 -0.862 -1.540 1.00 0.00 H new ATOM 0 HA THR A 21 78.632 1.194 -3.204 1.00 0.00 H new ATOM 0 HB THR A 21 79.628 1.442 -0.348 1.00 0.00 H new ATOM 0 HG1 THR A 21 77.042 0.867 -0.386 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.738 3.037 -0.205 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.872 3.503 -1.495 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.333 2.710 -1.906 1.00 0.00 H new ATOM 286 N LEU A 22 81.784 1.281 -2.358 1.00 0.00 N ATOM 287 CA LEU A 22 83.054 1.954 -2.599 1.00 0.00 C ATOM 288 C LEU A 22 83.436 1.835 -4.069 1.00 0.00 C ATOM 289 O LEU A 22 83.763 2.826 -4.723 1.00 0.00 O ATOM 290 CB LEU A 22 84.145 1.316 -1.744 1.00 0.00 C ATOM 291 CG LEU A 22 83.785 1.462 -0.265 1.00 0.00 C ATOM 292 CD1 LEU A 22 84.814 0.719 0.588 1.00 0.00 C ATOM 293 CD2 LEU A 22 83.782 2.945 0.115 1.00 0.00 C ATOM 0 H LEU A 22 81.864 0.385 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 22 82.950 3.007 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 22 84.253 0.262 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 22 85.104 1.793 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 22 82.796 1.039 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 22 84.557 0.824 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 22 84.816 -0.337 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 22 85.804 1.140 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 22 83.525 3.050 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 22 84.771 3.368 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 22 83.047 3.475 -0.492 1.00 0.00 H new ATOM 305 N ARG A 23 83.381 0.611 -4.580 1.00 0.00 N ATOM 306 CA ARG A 23 83.710 0.357 -5.976 1.00 0.00 C ATOM 307 C ARG A 23 82.757 1.124 -6.877 1.00 0.00 C ATOM 308 O ARG A 23 83.118 1.523 -7.984 1.00 0.00 O ATOM 309 CB ARG A 23 83.617 -1.144 -6.269 1.00 0.00 C ATOM 310 CG ARG A 23 84.665 -1.883 -5.433 1.00 0.00 C ATOM 311 CD ARG A 23 84.720 -3.362 -5.832 1.00 0.00 C ATOM 312 NE ARG A 23 83.823 -4.150 -4.993 1.00 0.00 N ATOM 313 CZ ARG A 23 82.576 -4.415 -5.372 1.00 0.00 C ATOM 314 NH1 ARG A 23 82.120 -3.948 -6.503 1.00 0.00 N ATOM 315 NH2 ARG A 23 81.805 -5.138 -4.608 1.00 0.00 N ATOM 0 H ARG A 23 83.113 -0.218 -4.050 1.00 0.00 H new ATOM 0 HA ARG A 23 84.729 0.692 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 23 82.619 -1.512 -6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 23 83.782 -1.331 -7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 23 85.643 -1.424 -5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 23 84.423 -1.794 -4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 23 84.440 -3.473 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 23 85.740 -3.734 -5.734 1.00 0.00 H new ATOM 0 HE ARG A 23 84.159 -4.505 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 23 82.721 -3.378 -7.099 1.00 0.00 H new ATOM 0 HH12 ARG A 23 81.163 -4.153 -6.791 1.00 0.00 H new ATOM 0 HH21 ARG A 23 82.159 -5.499 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 23 80.848 -5.343 -4.897 1.00 0.00 H new ATOM 329 N GLU A 24 81.540 1.332 -6.392 1.00 0.00 N ATOM 330 CA GLU A 24 80.547 2.063 -7.166 1.00 0.00 C ATOM 331 C GLU A 24 80.840 3.553 -7.124 1.00 0.00 C ATOM 332 O GLU A 24 80.512 4.292 -8.049 1.00 0.00 O ATOM 333 CB GLU A 24 79.144 1.796 -6.614 1.00 0.00 C ATOM 334 CG GLU A 24 78.098 2.311 -7.605 1.00 0.00 C ATOM 335 CD GLU A 24 76.722 2.326 -6.949 1.00 0.00 C ATOM 336 OE1 GLU A 24 76.553 3.060 -5.989 1.00 0.00 O ATOM 337 OE2 GLU A 24 75.856 1.605 -7.416 1.00 0.00 O ATOM 0 H GLU A 24 81.220 1.010 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 24 80.593 1.721 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.005 0.728 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.021 2.290 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 24 78.363 3.315 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.081 1.676 -8.491 1.00 0.00 H new ATOM 344 N ALA A 25 81.462 3.977 -6.040 1.00 0.00 N ATOM 345 CA ALA A 25 81.805 5.384 -5.856 1.00 0.00 C ATOM 346 C ALA A 25 82.941 5.800 -6.787 1.00 0.00 C ATOM 347 O ALA A 25 82.860 6.830 -7.456 1.00 0.00 O ATOM 348 CB ALA A 25 82.217 5.633 -4.404 1.00 0.00 C ATOM 0 H ALA A 25 81.743 3.370 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 25 80.925 5.981 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 25 82.472 6.685 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.391 5.375 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 25 83.083 5.017 -4.161 1.00 0.00 H new ATOM 354 N ILE A 26 83.999 4.998 -6.823 1.00 0.00 N ATOM 355 CA ILE A 26 85.144 5.303 -7.675 1.00 0.00 C ATOM 356 C ILE A 26 84.703 5.422 -9.126 1.00 0.00 C ATOM 357 O ILE A 26 85.307 6.151 -9.912 1.00 0.00 O ATOM 358 CB ILE A 26 86.205 4.204 -7.549 1.00 0.00 C ATOM 359 CG1 ILE A 26 87.605 4.814 -7.725 1.00 0.00 C ATOM 360 CG2 ILE A 26 85.970 3.137 -8.621 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.539 3.796 -8.387 1.00 0.00 C ATOM 0 H ILE A 26 84.089 4.140 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 26 85.572 6.252 -7.353 1.00 0.00 H new ATOM 0 HB ILE A 26 86.134 3.746 -6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 26 87.544 5.715 -8.335 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.006 5.112 -6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 26 86.726 2.357 -8.529 1.00 0.00 H new ATOM 0 HG22 ILE A 26 84.980 2.701 -8.489 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.037 3.593 -9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 26 89.529 4.236 -8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.611 2.907 -7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.142 3.520 -9.364 1.00 0.00 H new ATOM 373 N ASP A 27 83.650 4.694 -9.477 1.00 0.00 N ATOM 374 CA ASP A 27 83.145 4.724 -10.845 1.00 0.00 C ATOM 375 C ASP A 27 81.627 4.562 -10.883 1.00 0.00 C ATOM 376 O ASP A 27 81.109 3.682 -11.571 1.00 0.00 O ATOM 377 CB ASP A 27 83.797 3.607 -11.661 1.00 0.00 C ATOM 378 CG ASP A 27 83.482 3.789 -13.141 1.00 0.00 C ATOM 379 OD1 ASP A 27 82.407 4.281 -13.442 1.00 0.00 O ATOM 380 OD2 ASP A 27 84.322 3.435 -13.953 1.00 0.00 O ATOM 0 H ASP A 27 83.135 4.083 -8.843 1.00 0.00 H new ATOM 0 HA ASP A 27 83.396 5.694 -11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 27 84.876 3.615 -11.507 1.00 0.00 H new ATOM 0 HB3 ASP A 27 83.434 2.637 -11.320 1.00 0.00 H new ATOM 385 N LEU A 28 80.916 5.417 -10.153 1.00 0.00 N ATOM 386 CA LEU A 28 79.455 5.347 -10.138 1.00 0.00 C ATOM 387 C LEU A 28 78.895 5.807 -11.484 1.00 0.00 C ATOM 388 O LEU A 28 79.560 6.543 -12.213 1.00 0.00 O ATOM 389 CB LEU A 28 78.861 6.227 -9.027 1.00 0.00 C ATOM 390 CG LEU A 28 79.797 7.389 -8.697 1.00 0.00 C ATOM 391 CD1 LEU A 28 80.029 8.237 -9.950 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.146 8.253 -7.622 1.00 0.00 C ATOM 0 H LEU A 28 81.317 6.154 -9.573 1.00 0.00 H new ATOM 0 HA LEU A 28 79.178 4.310 -9.949 1.00 0.00 H new ATOM 0 HB2 LEU A 28 77.892 6.613 -9.342 1.00 0.00 H new ATOM 0 HB3 LEU A 28 78.690 5.627 -8.133 1.00 0.00 H new ATOM 0 HG LEU A 28 80.752 7.002 -8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 28 80.697 9.065 -9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 28 80.479 7.621 -10.728 1.00 0.00 H new ATOM 0 HD13 LEU A 28 79.076 8.630 -10.305 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.804 9.087 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.195 8.638 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 28 78.973 7.653 -6.729 1.00 0.00 H new ATOM 404 N PRO A 29 77.691 5.415 -11.823 1.00 0.00 N ATOM 405 CA PRO A 29 77.061 5.835 -13.104 1.00 0.00 C ATOM 406 C PRO A 29 77.176 7.343 -13.311 1.00 0.00 C ATOM 407 O PRO A 29 77.375 8.094 -12.356 1.00 0.00 O ATOM 408 CB PRO A 29 75.595 5.426 -12.953 1.00 0.00 C ATOM 409 CG PRO A 29 75.569 4.353 -11.914 1.00 0.00 C ATOM 410 CD PRO A 29 76.811 4.532 -11.038 1.00 0.00 C ATOM 0 HA PRO A 29 77.543 5.376 -13.967 1.00 0.00 H new ATOM 0 HB2 PRO A 29 74.983 6.276 -12.651 1.00 0.00 H new ATOM 0 HB3 PRO A 29 75.192 5.063 -13.899 1.00 0.00 H new ATOM 0 HG2 PRO A 29 74.662 4.423 -11.313 1.00 0.00 H new ATOM 0 HG3 PRO A 29 75.567 3.368 -12.380 1.00 0.00 H new ATOM 0 HD2 PRO A 29 76.558 4.977 -10.076 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.291 3.576 -10.830 1.00 0.00 H new ATOM 418 N GLN A 30 77.053 7.781 -14.558 1.00 0.00 N ATOM 419 CA GLN A 30 77.150 9.203 -14.867 1.00 0.00 C ATOM 420 C GLN A 30 76.030 9.981 -14.184 1.00 0.00 C ATOM 421 O GLN A 30 75.903 11.192 -14.366 1.00 0.00 O ATOM 422 CB GLN A 30 77.080 9.416 -16.378 1.00 0.00 C ATOM 423 CG GLN A 30 78.499 9.501 -16.940 1.00 0.00 C ATOM 424 CD GLN A 30 78.452 9.716 -18.449 1.00 0.00 C ATOM 425 OE1 GLN A 30 77.375 9.704 -19.046 1.00 0.00 O ATOM 426 NE2 GLN A 30 79.563 9.914 -19.106 1.00 0.00 N ATOM 0 H GLN A 30 76.888 7.179 -15.365 1.00 0.00 H new ATOM 0 HA GLN A 30 78.106 9.571 -14.495 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.538 8.595 -16.848 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.531 10.331 -16.603 1.00 0.00 H new ATOM 0 HG2 GLN A 30 79.038 10.320 -16.465 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.044 8.585 -16.712 1.00 0.00 H new ATOM 0 HE21 GLN A 30 80.454 9.924 -18.610 1.00 0.00 H new ATOM 0 HE22 GLN A 30 79.540 10.059 -20.115 1.00 0.00 H new ATOM 435 N ASP A 31 75.223 9.279 -13.395 1.00 0.00 N ATOM 436 CA ASP A 31 74.120 9.917 -12.687 1.00 0.00 C ATOM 437 C ASP A 31 74.572 10.390 -11.309 1.00 0.00 C ATOM 438 O ASP A 31 73.751 10.633 -10.426 1.00 0.00 O ATOM 439 CB ASP A 31 72.957 8.934 -12.533 1.00 0.00 C ATOM 440 CG ASP A 31 72.111 8.924 -13.802 1.00 0.00 C ATOM 441 OD1 ASP A 31 72.611 9.356 -14.827 1.00 0.00 O ATOM 442 OD2 ASP A 31 70.975 8.485 -13.729 1.00 0.00 O ATOM 0 H ASP A 31 75.311 8.276 -13.231 1.00 0.00 H new ATOM 0 HA ASP A 31 73.792 10.779 -13.267 1.00 0.00 H new ATOM 0 HB2 ASP A 31 73.340 7.933 -12.333 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.342 9.216 -11.678 1.00 0.00 H new ATOM 447 N ALA A 32 75.884 10.515 -11.132 1.00 0.00 N ATOM 448 CA ALA A 32 76.430 10.957 -9.857 1.00 0.00 C ATOM 449 C ALA A 32 77.776 11.648 -10.061 1.00 0.00 C ATOM 450 O ALA A 32 78.810 11.137 -9.630 1.00 0.00 O ATOM 451 CB ALA A 32 76.614 9.756 -8.926 1.00 0.00 C ATOM 0 H ALA A 32 76.582 10.318 -11.849 1.00 0.00 H new ATOM 0 HA ALA A 32 75.732 11.665 -9.410 1.00 0.00 H new ATOM 0 HB1 ALA A 32 77.023 10.093 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 32 75.650 9.275 -8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 32 77.300 9.043 -9.383 1.00 0.00 H new ATOM 457 N PRO A 33 77.789 12.792 -10.700 1.00 0.00 N ATOM 458 CA PRO A 33 79.050 13.549 -10.948 1.00 0.00 C ATOM 459 C PRO A 33 79.700 14.013 -9.646 1.00 0.00 C ATOM 460 O PRO A 33 80.397 15.028 -9.611 1.00 0.00 O ATOM 461 CB PRO A 33 78.620 14.745 -11.804 1.00 0.00 C ATOM 462 CG PRO A 33 77.140 14.866 -11.636 1.00 0.00 C ATOM 463 CD PRO A 33 76.614 13.483 -11.254 1.00 0.00 C ATOM 0 HA PRO A 33 79.801 12.931 -11.441 1.00 0.00 H new ATOM 0 HB2 PRO A 33 79.124 15.656 -11.482 1.00 0.00 H new ATOM 0 HB3 PRO A 33 78.882 14.589 -12.851 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.899 15.596 -10.863 1.00 0.00 H new ATOM 0 HG3 PRO A 33 76.675 15.213 -12.559 1.00 0.00 H new ATOM 0 HD2 PRO A 33 75.810 13.551 -10.522 1.00 0.00 H new ATOM 0 HD3 PRO A 33 76.213 12.956 -12.120 1.00 0.00 H new ATOM 471 N ASN A 34 79.468 13.253 -8.581 1.00 0.00 N ATOM 472 CA ASN A 34 80.029 13.570 -7.277 1.00 0.00 C ATOM 473 C ASN A 34 80.428 12.282 -6.568 1.00 0.00 C ATOM 474 O ASN A 34 79.803 11.878 -5.588 1.00 0.00 O ATOM 475 CB ASN A 34 79.002 14.328 -6.434 1.00 0.00 C ATOM 476 CG ASN A 34 77.684 13.563 -6.408 1.00 0.00 C ATOM 477 OD1 ASN A 34 76.714 14.015 -5.798 1.00 0.00 O ATOM 478 ND2 ASN A 34 77.589 12.423 -7.036 1.00 0.00 N ATOM 0 H ASN A 34 78.893 12.411 -8.598 1.00 0.00 H new ATOM 0 HA ASN A 34 80.909 14.199 -7.410 1.00 0.00 H new ATOM 0 HB2 ASN A 34 79.377 14.458 -5.419 1.00 0.00 H new ATOM 0 HB3 ASN A 34 78.846 15.325 -6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 34 76.711 11.905 -7.022 1.00 0.00 H new ATOM 0 HD22 ASN A 34 78.393 12.050 -7.541 1.00 0.00 H new ATOM 485 N ARG A 35 81.468 11.637 -7.084 1.00 0.00 N ATOM 486 CA ARG A 35 81.947 10.385 -6.509 1.00 0.00 C ATOM 487 C ARG A 35 82.198 10.548 -5.013 1.00 0.00 C ATOM 488 O ARG A 35 82.286 9.565 -4.276 1.00 0.00 O ATOM 489 CB ARG A 35 83.244 9.954 -7.199 1.00 0.00 C ATOM 490 CG ARG A 35 82.945 9.482 -8.626 1.00 0.00 C ATOM 491 CD ARG A 35 82.605 10.680 -9.519 1.00 0.00 C ATOM 492 NE ARG A 35 82.746 10.315 -10.924 1.00 0.00 N ATOM 493 CZ ARG A 35 82.703 11.236 -11.881 1.00 0.00 C ATOM 494 NH1 ARG A 35 82.537 12.493 -11.571 1.00 0.00 N ATOM 495 NH2 ARG A 35 82.826 10.884 -13.132 1.00 0.00 N ATOM 0 H ARG A 35 81.994 11.959 -7.896 1.00 0.00 H new ATOM 0 HA ARG A 35 81.184 9.622 -6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.948 10.786 -7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 35 83.718 9.152 -6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.807 8.951 -9.030 1.00 0.00 H new ATOM 0 HG3 ARG A 35 82.113 8.778 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.586 11.012 -9.322 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.264 11.516 -9.285 1.00 0.00 H new ATOM 0 HE ARG A 35 82.880 9.336 -11.176 1.00 0.00 H new ATOM 0 HH11 ARG A 35 82.440 12.769 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 35 82.504 13.199 -12.306 1.00 0.00 H new ATOM 0 HH21 ARG A 35 82.955 9.902 -13.375 1.00 0.00 H new ATOM 0 HH22 ARG A 35 82.793 11.591 -13.866 1.00 0.00 H new ATOM 509 N GLN A 36 82.320 11.796 -4.573 1.00 0.00 N ATOM 510 CA GLN A 36 82.570 12.081 -3.164 1.00 0.00 C ATOM 511 C GLN A 36 81.300 11.921 -2.327 1.00 0.00 C ATOM 512 O GLN A 36 81.339 11.361 -1.232 1.00 0.00 O ATOM 513 CB GLN A 36 83.108 13.505 -3.010 1.00 0.00 C ATOM 514 CG GLN A 36 82.117 14.497 -3.623 1.00 0.00 C ATOM 515 CD GLN A 36 81.258 15.118 -2.527 1.00 0.00 C ATOM 516 OE1 GLN A 36 80.984 14.476 -1.513 1.00 0.00 O ATOM 517 NE2 GLN A 36 80.813 16.336 -2.671 1.00 0.00 N ATOM 0 H GLN A 36 82.250 12.622 -5.167 1.00 0.00 H new ATOM 0 HA GLN A 36 83.308 11.365 -2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 36 83.262 13.734 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 36 84.077 13.593 -3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 36 82.656 15.277 -4.161 1.00 0.00 H new ATOM 0 HG3 GLN A 36 81.483 13.989 -4.350 1.00 0.00 H new ATOM 0 HE21 GLN A 36 81.041 16.866 -3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 36 80.237 16.758 -1.943 1.00 0.00 H new ATOM 526 N GLU A 37 80.179 12.425 -2.838 1.00 0.00 N ATOM 527 CA GLU A 37 78.916 12.336 -2.109 1.00 0.00 C ATOM 528 C GLU A 37 78.546 10.885 -1.832 1.00 0.00 C ATOM 529 O GLU A 37 78.374 10.491 -0.678 1.00 0.00 O ATOM 530 CB GLU A 37 77.798 13.008 -2.907 1.00 0.00 C ATOM 531 CG GLU A 37 77.510 14.392 -2.321 1.00 0.00 C ATOM 532 CD GLU A 37 76.658 14.259 -1.063 1.00 0.00 C ATOM 533 OE1 GLU A 37 76.230 13.154 -0.775 1.00 0.00 O ATOM 534 OE2 GLU A 37 76.445 15.265 -0.407 1.00 0.00 O ATOM 0 H GLU A 37 80.119 12.893 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 37 79.041 12.850 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 37 78.088 13.098 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.897 12.395 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 37 78.446 14.898 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.993 15.007 -3.057 1.00 0.00 H new ATOM 541 N VAL A 38 78.430 10.088 -2.887 1.00 0.00 N ATOM 542 CA VAL A 38 78.086 8.683 -2.718 1.00 0.00 C ATOM 543 C VAL A 38 79.006 8.054 -1.680 1.00 0.00 C ATOM 544 O VAL A 38 78.582 7.217 -0.884 1.00 0.00 O ATOM 545 CB VAL A 38 78.227 7.943 -4.048 1.00 0.00 C ATOM 546 CG1 VAL A 38 78.090 6.439 -3.814 1.00 0.00 C ATOM 547 CG2 VAL A 38 77.137 8.408 -5.021 1.00 0.00 C ATOM 0 H VAL A 38 78.567 10.384 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 38 77.052 8.608 -2.380 1.00 0.00 H new ATOM 0 HB VAL A 38 79.207 8.159 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 38 78.191 5.912 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.869 6.105 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.112 6.225 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 38 77.243 7.877 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 38 76.156 8.199 -4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 38 77.236 9.480 -5.194 1.00 0.00 H new ATOM 557 N GLN A 39 80.266 8.475 -1.690 1.00 0.00 N ATOM 558 CA GLN A 39 81.238 7.959 -0.737 1.00 0.00 C ATOM 559 C GLN A 39 80.779 8.259 0.685 1.00 0.00 C ATOM 560 O GLN A 39 81.026 7.480 1.606 1.00 0.00 O ATOM 561 CB GLN A 39 82.607 8.598 -0.981 1.00 0.00 C ATOM 562 CG GLN A 39 83.702 7.675 -0.446 1.00 0.00 C ATOM 563 CD GLN A 39 83.902 6.499 -1.396 1.00 0.00 C ATOM 564 OE1 GLN A 39 84.678 6.593 -2.347 1.00 0.00 O ATOM 565 NE2 GLN A 39 83.244 5.391 -1.195 1.00 0.00 N ATOM 0 H GLN A 39 80.635 9.167 -2.343 1.00 0.00 H new ATOM 0 HA GLN A 39 81.321 6.880 -0.869 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.753 8.774 -2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.661 9.568 -0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 39 84.635 8.228 -0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 39 83.430 7.311 0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 39 82.602 5.315 -0.406 1.00 0.00 H new ATOM 0 HE22 GLN A 39 83.372 4.600 -1.826 1.00 0.00 H new ATOM 574 N ASP A 40 80.102 9.393 0.855 1.00 0.00 N ATOM 575 CA ASP A 40 79.606 9.781 2.169 1.00 0.00 C ATOM 576 C ASP A 40 78.710 8.686 2.734 1.00 0.00 C ATOM 577 O ASP A 40 78.821 8.319 3.904 1.00 0.00 O ATOM 578 CB ASP A 40 78.819 11.089 2.067 1.00 0.00 C ATOM 579 CG ASP A 40 78.764 11.774 3.429 1.00 0.00 C ATOM 580 OD1 ASP A 40 79.757 11.723 4.136 1.00 0.00 O ATOM 581 OD2 ASP A 40 77.731 12.340 3.744 1.00 0.00 O ATOM 0 H ASP A 40 79.887 10.052 0.106 1.00 0.00 H new ATOM 0 HA ASP A 40 80.456 9.926 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 40 79.288 11.749 1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 40 77.809 10.888 1.711 1.00 0.00 H new ATOM 586 N THR A 41 77.826 8.160 1.891 1.00 0.00 N ATOM 587 CA THR A 41 76.922 7.098 2.313 1.00 0.00 C ATOM 588 C THR A 41 77.719 5.895 2.797 1.00 0.00 C ATOM 589 O THR A 41 77.326 5.218 3.747 1.00 0.00 O ATOM 590 CB THR A 41 76.016 6.686 1.149 1.00 0.00 C ATOM 591 OG1 THR A 41 74.888 7.549 1.102 1.00 0.00 O ATOM 592 CG2 THR A 41 75.549 5.244 1.348 1.00 0.00 C ATOM 0 H THR A 41 77.718 8.450 0.919 1.00 0.00 H new ATOM 0 HA THR A 41 76.304 7.468 3.131 1.00 0.00 H new ATOM 0 HB THR A 41 76.570 6.759 0.213 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.308 7.288 0.357 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.904 4.953 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.415 4.583 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.994 5.167 2.283 1.00 0.00 H new ATOM 600 N ALA A 42 78.846 5.640 2.143 1.00 0.00 N ATOM 601 CA ALA A 42 79.696 4.522 2.524 1.00 0.00 C ATOM 602 C ALA A 42 80.302 4.771 3.900 1.00 0.00 C ATOM 603 O ALA A 42 80.415 3.855 4.714 1.00 0.00 O ATOM 604 CB ALA A 42 80.814 4.338 1.496 1.00 0.00 C ATOM 0 H ALA A 42 79.189 6.187 1.354 1.00 0.00 H new ATOM 0 HA ALA A 42 79.089 3.617 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.444 3.499 1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.379 4.139 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.417 5.245 1.447 1.00 0.00 H new ATOM 610 N ARG A 43 80.685 6.020 4.153 1.00 0.00 N ATOM 611 CA ARG A 43 81.276 6.383 5.436 1.00 0.00 C ATOM 612 C ARG A 43 80.394 5.905 6.583 1.00 0.00 C ATOM 613 O ARG A 43 80.890 5.426 7.602 1.00 0.00 O ATOM 614 CB ARG A 43 81.451 7.901 5.523 1.00 0.00 C ATOM 615 CG ARG A 43 82.942 8.243 5.551 1.00 0.00 C ATOM 616 CD ARG A 43 83.561 7.728 6.852 1.00 0.00 C ATOM 617 NE ARG A 43 84.181 8.827 7.586 1.00 0.00 N ATOM 618 CZ ARG A 43 85.397 9.263 7.273 1.00 0.00 C ATOM 619 NH1 ARG A 43 86.059 8.708 6.295 1.00 0.00 N ATOM 620 NH2 ARG A 43 85.928 10.249 7.944 1.00 0.00 N ATOM 0 H ARG A 43 80.597 6.792 3.492 1.00 0.00 H new ATOM 0 HA ARG A 43 82.251 5.902 5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 43 80.973 8.382 4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 43 80.963 8.283 6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 43 83.445 7.794 4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 43 83.080 9.321 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 43 82.794 7.258 7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 43 84.305 6.963 6.631 1.00 0.00 H new ATOM 0 HE ARG A 43 83.672 9.268 8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 43 85.643 7.939 5.770 1.00 0.00 H new ATOM 0 HH12 ARG A 43 86.992 9.043 6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 43 85.410 10.684 8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 43 86.861 10.585 7.705 1.00 0.00 H new ATOM 634 N GLY A 44 79.082 6.032 6.408 1.00 0.00 N ATOM 635 CA GLY A 44 78.144 5.600 7.436 1.00 0.00 C ATOM 636 C GLY A 44 78.358 4.128 7.758 1.00 0.00 C ATOM 637 O GLY A 44 78.425 3.738 8.924 1.00 0.00 O ATOM 0 H GLY A 44 78.649 6.426 5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 44 78.278 6.200 8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 44 77.121 5.760 7.096 1.00 0.00 H new ATOM 641 N GLN A 45 78.474 3.316 6.713 1.00 0.00 N ATOM 642 CA GLN A 45 78.693 1.886 6.890 1.00 0.00 C ATOM 643 C GLN A 45 79.968 1.639 7.692 1.00 0.00 C ATOM 644 O GLN A 45 79.996 0.788 8.581 1.00 0.00 O ATOM 645 CB GLN A 45 78.801 1.201 5.527 1.00 0.00 C ATOM 646 CG GLN A 45 77.420 1.153 4.869 1.00 0.00 C ATOM 647 CD GLN A 45 77.567 0.957 3.363 1.00 0.00 C ATOM 648 OE1 GLN A 45 78.676 1.028 2.833 1.00 0.00 O ATOM 649 NE2 GLN A 45 76.509 0.713 2.639 1.00 0.00 N ATOM 0 H GLN A 45 78.420 3.621 5.741 1.00 0.00 H new ATOM 0 HA GLN A 45 77.846 1.470 7.436 1.00 0.00 H new ATOM 0 HB2 GLN A 45 79.500 1.743 4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 45 79.194 0.191 5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.833 0.339 5.295 1.00 0.00 H new ATOM 0 HG3 GLN A 45 76.878 2.077 5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 45 75.591 0.655 3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 45 76.600 0.581 1.632 1.00 0.00 H new ATOM 658 N ILE A 46 81.021 2.392 7.378 1.00 0.00 N ATOM 659 CA ILE A 46 82.287 2.242 8.087 1.00 0.00 C ATOM 660 C ILE A 46 82.066 2.384 9.587 1.00 0.00 C ATOM 661 O ILE A 46 82.474 1.526 10.370 1.00 0.00 O ATOM 662 CB ILE A 46 83.287 3.303 7.619 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.414 3.259 6.093 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.654 3.031 8.250 1.00 0.00 C ATOM 665 CD1 ILE A 46 83.729 1.832 5.639 1.00 0.00 C ATOM 0 H ILE A 46 81.022 3.103 6.647 1.00 0.00 H new ATOM 0 HA ILE A 46 82.688 1.252 7.872 1.00 0.00 H new ATOM 0 HB ILE A 46 82.933 4.288 7.924 1.00 0.00 H new ATOM 0 HG12 ILE A 46 82.487 3.601 5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 46 84.202 3.937 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.365 3.786 7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 46 84.567 3.068 9.336 1.00 0.00 H new ATOM 0 HG23 ILE A 46 85.004 2.044 7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 46 83.818 1.807 4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 46 84.667 1.506 6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 46 82.926 1.165 5.953 1.00 0.00 H new ATOM 677 N ASN A 47 81.409 3.469 9.981 1.00 0.00 N ATOM 678 CA ASN A 47 81.133 3.704 11.390 1.00 0.00 C ATOM 679 C ASN A 47 80.298 2.561 11.951 1.00 0.00 C ATOM 680 O ASN A 47 80.410 2.211 13.124 1.00 0.00 O ATOM 681 CB ASN A 47 80.381 5.026 11.567 1.00 0.00 C ATOM 682 CG ASN A 47 81.258 6.029 12.310 1.00 0.00 C ATOM 683 OD1 ASN A 47 81.964 5.661 13.249 1.00 0.00 O ATOM 684 ND2 ASN A 47 81.254 7.282 11.946 1.00 0.00 N ATOM 0 H ASN A 47 81.061 4.192 9.351 1.00 0.00 H new ATOM 0 HA ASN A 47 82.079 3.758 11.929 1.00 0.00 H new ATOM 0 HB2 ASN A 47 80.100 5.427 10.593 1.00 0.00 H new ATOM 0 HB3 ASN A 47 79.458 4.857 12.121 1.00 0.00 H new ATOM 0 HD21 ASN A 47 81.836 7.958 12.440 1.00 0.00 H new ATOM 0 HD22 ASN A 47 80.668 7.585 11.168 1.00 0.00 H new ATOM 691 N ASP A 48 79.460 1.982 11.099 1.00 0.00 N ATOM 692 CA ASP A 48 78.608 0.877 11.515 1.00 0.00 C ATOM 693 C ASP A 48 79.422 -0.397 11.703 1.00 0.00 C ATOM 694 O ASP A 48 79.300 -1.080 12.716 1.00 0.00 O ATOM 695 CB ASP A 48 77.524 0.634 10.466 1.00 0.00 C ATOM 696 CG ASP A 48 76.812 1.941 10.136 1.00 0.00 C ATOM 697 OD1 ASP A 48 77.140 2.943 10.750 1.00 0.00 O ATOM 698 OD2 ASP A 48 75.950 1.921 9.273 1.00 0.00 O ATOM 0 H ASP A 48 79.353 2.258 10.123 1.00 0.00 H new ATOM 0 HA ASP A 48 78.148 1.142 12.467 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.968 0.215 9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 48 76.806 -0.097 10.837 1.00 0.00 H new ATOM 703 N TYR A 49 80.250 -0.716 10.721 1.00 0.00 N ATOM 704 CA TYR A 49 81.068 -1.916 10.800 1.00 0.00 C ATOM 705 C TYR A 49 82.207 -1.727 11.797 1.00 0.00 C ATOM 706 O TYR A 49 82.406 -2.545 12.695 1.00 0.00 O ATOM 707 CB TYR A 49 81.645 -2.243 9.421 1.00 0.00 C ATOM 708 CG TYR A 49 81.811 -3.737 9.285 1.00 0.00 C ATOM 709 CD1 TYR A 49 82.756 -4.410 10.068 1.00 0.00 C ATOM 710 CD2 TYR A 49 81.021 -4.448 8.375 1.00 0.00 C ATOM 711 CE1 TYR A 49 82.910 -5.796 9.941 1.00 0.00 C ATOM 712 CE2 TYR A 49 81.175 -5.834 8.247 1.00 0.00 C ATOM 713 CZ TYR A 49 82.120 -6.508 9.030 1.00 0.00 C ATOM 714 OH TYR A 49 82.272 -7.873 8.905 1.00 0.00 O ATOM 0 H TYR A 49 80.373 -0.168 9.869 1.00 0.00 H new ATOM 0 HA TYR A 49 80.439 -2.740 11.138 1.00 0.00 H new ATOM 0 HB2 TYR A 49 80.984 -1.868 8.640 1.00 0.00 H new ATOM 0 HB3 TYR A 49 82.606 -1.746 9.290 1.00 0.00 H new ATOM 0 HD1 TYR A 49 83.366 -3.861 10.770 1.00 0.00 H new ATOM 0 HD2 TYR A 49 80.292 -3.928 7.771 1.00 0.00 H new ATOM 0 HE1 TYR A 49 83.638 -6.316 10.546 1.00 0.00 H new ATOM 0 HE2 TYR A 49 80.565 -6.383 7.545 1.00 0.00 H new ATOM 0 HH TYR A 49 81.395 -8.307 8.963 1.00 0.00 H new ATOM 724 N ILE A 50 82.962 -0.651 11.616 1.00 0.00 N ATOM 725 CA ILE A 50 84.096 -0.360 12.486 1.00 0.00 C ATOM 726 C ILE A 50 83.664 0.157 13.860 1.00 0.00 C ATOM 727 O ILE A 50 84.372 -0.048 14.846 1.00 0.00 O ATOM 728 CB ILE A 50 85.003 0.671 11.814 1.00 0.00 C ATOM 729 CG1 ILE A 50 85.255 0.250 10.363 1.00 0.00 C ATOM 730 CG2 ILE A 50 86.333 0.750 12.567 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.652 0.699 9.928 1.00 0.00 C ATOM 0 H ILE A 50 82.811 0.034 10.876 1.00 0.00 H new ATOM 0 HA ILE A 50 84.633 -1.295 12.645 1.00 0.00 H new ATOM 0 HB ILE A 50 84.523 1.649 11.831 1.00 0.00 H new ATOM 0 HG12 ILE A 50 85.165 -0.832 10.268 1.00 0.00 H new ATOM 0 HG13 ILE A 50 84.502 0.691 9.711 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.979 1.485 12.088 1.00 0.00 H new ATOM 0 HG22 ILE A 50 86.149 1.047 13.600 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.819 -0.226 12.551 1.00 0.00 H new ATOM 0 HD11 ILE A 50 86.826 0.397 8.895 1.00 0.00 H new ATOM 0 HD12 ILE A 50 86.726 1.784 10.006 1.00 0.00 H new ATOM 0 HD13 ILE A 50 87.400 0.237 10.572 1.00 0.00 H new ATOM 743 N SER A 51 82.527 0.852 13.925 1.00 0.00 N ATOM 744 CA SER A 51 82.070 1.408 15.203 1.00 0.00 C ATOM 745 C SER A 51 80.754 0.787 15.682 1.00 0.00 C ATOM 746 O SER A 51 79.916 1.471 16.268 1.00 0.00 O ATOM 747 CB SER A 51 81.910 2.925 15.078 1.00 0.00 C ATOM 748 OG SER A 51 82.619 3.559 16.135 1.00 0.00 O ATOM 0 H SER A 51 81.917 1.041 13.129 1.00 0.00 H new ATOM 0 HA SER A 51 82.828 1.168 15.948 1.00 0.00 H new ATOM 0 HB2 SER A 51 82.290 3.265 14.114 1.00 0.00 H new ATOM 0 HB3 SER A 51 80.855 3.196 15.118 1.00 0.00 H new ATOM 0 HG SER A 51 82.795 4.493 15.897 1.00 0.00 H new ATOM 754 N ARG A 52 80.583 -0.512 15.461 1.00 0.00 N ATOM 755 CA ARG A 52 79.369 -1.189 15.910 1.00 0.00 C ATOM 756 C ARG A 52 79.458 -2.687 15.634 1.00 0.00 C ATOM 757 O ARG A 52 79.083 -3.502 16.477 1.00 0.00 O ATOM 758 CB ARG A 52 78.132 -0.561 15.239 1.00 0.00 C ATOM 759 CG ARG A 52 77.201 -1.634 14.647 1.00 0.00 C ATOM 760 CD ARG A 52 76.689 -2.565 15.750 1.00 0.00 C ATOM 761 NE ARG A 52 77.218 -2.159 17.049 1.00 0.00 N ATOM 762 CZ ARG A 52 76.538 -1.339 17.848 1.00 0.00 C ATOM 763 NH1 ARG A 52 75.379 -0.868 17.475 1.00 0.00 N ATOM 764 NH2 ARG A 52 77.034 -1.001 19.007 1.00 0.00 N ATOM 0 H ARG A 52 81.256 -1.110 14.982 1.00 0.00 H new ATOM 0 HA ARG A 52 79.268 -1.060 16.988 1.00 0.00 H new ATOM 0 HB2 ARG A 52 77.584 0.034 15.970 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.452 0.119 14.450 1.00 0.00 H new ATOM 0 HG2 ARG A 52 76.359 -1.157 14.145 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.735 -2.212 13.893 1.00 0.00 H new ATOM 0 HD2 ARG A 52 75.599 -2.547 15.773 1.00 0.00 H new ATOM 0 HD3 ARG A 52 76.986 -3.591 15.535 1.00 0.00 H new ATOM 0 HE ARG A 52 78.127 -2.511 17.350 1.00 0.00 H new ATOM 0 HH11 ARG A 52 74.991 -1.128 16.568 1.00 0.00 H new ATOM 0 HH12 ARG A 52 74.862 -0.240 18.090 1.00 0.00 H new ATOM 0 HH21 ARG A 52 77.941 -1.365 19.299 1.00 0.00 H new ATOM 0 HH22 ARG A 52 76.515 -0.373 19.620 1.00 0.00 H new ATOM 778 N TYR A 53 79.965 -3.051 14.460 1.00 0.00 N ATOM 779 CA TYR A 53 80.099 -4.461 14.114 1.00 0.00 C ATOM 780 C TYR A 53 81.504 -4.758 13.601 1.00 0.00 C ATOM 781 O TYR A 53 81.689 -5.118 12.438 1.00 0.00 O ATOM 782 CB TYR A 53 79.070 -4.854 13.052 1.00 0.00 C ATOM 783 CG TYR A 53 78.835 -6.344 13.121 1.00 0.00 C ATOM 784 CD1 TYR A 53 77.914 -6.866 14.037 1.00 0.00 C ATOM 785 CD2 TYR A 53 79.542 -7.205 12.272 1.00 0.00 C ATOM 786 CE1 TYR A 53 77.701 -8.248 14.106 1.00 0.00 C ATOM 787 CE2 TYR A 53 79.327 -8.588 12.340 1.00 0.00 C ATOM 788 CZ TYR A 53 78.407 -9.109 13.257 1.00 0.00 C ATOM 789 OH TYR A 53 78.196 -10.471 13.325 1.00 0.00 O ATOM 0 H TYR A 53 80.285 -2.400 13.743 1.00 0.00 H new ATOM 0 HA TYR A 53 79.921 -5.047 15.016 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.136 -4.318 13.217 1.00 0.00 H new ATOM 0 HB3 TYR A 53 79.427 -4.575 12.061 1.00 0.00 H new ATOM 0 HD1 TYR A 53 77.368 -6.202 14.691 1.00 0.00 H new ATOM 0 HD2 TYR A 53 80.253 -6.803 11.565 1.00 0.00 H new ATOM 0 HE1 TYR A 53 76.992 -8.650 14.814 1.00 0.00 H new ATOM 0 HE2 TYR A 53 79.871 -9.252 11.685 1.00 0.00 H new ATOM 0 HH TYR A 53 77.594 -10.745 12.602 1.00 0.00 H new ATOM 799 N ARG A 54 82.489 -4.609 14.480 1.00 0.00 N ATOM 800 CA ARG A 54 83.875 -4.868 14.111 1.00 0.00 C ATOM 801 C ARG A 54 84.154 -6.366 14.118 1.00 0.00 C ATOM 802 O ARG A 54 85.052 -6.844 13.424 1.00 0.00 O ATOM 803 CB ARG A 54 84.816 -4.166 15.093 1.00 0.00 C ATOM 804 CG ARG A 54 84.298 -4.355 16.520 1.00 0.00 C ATOM 805 CD ARG A 54 85.446 -4.803 17.424 1.00 0.00 C ATOM 806 NE ARG A 54 86.647 -4.028 17.135 1.00 0.00 N ATOM 807 CZ ARG A 54 87.707 -4.083 17.934 1.00 0.00 C ATOM 808 NH1 ARG A 54 87.682 -4.836 18.999 1.00 0.00 N ATOM 809 NH2 ARG A 54 88.773 -3.383 17.654 1.00 0.00 N ATOM 0 H ARG A 54 82.355 -4.312 15.447 1.00 0.00 H new ATOM 0 HA ARG A 54 84.046 -4.481 13.107 1.00 0.00 H new ATOM 0 HB2 ARG A 54 85.823 -4.574 15.003 1.00 0.00 H new ATOM 0 HB3 ARG A 54 84.880 -3.104 14.856 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.872 -3.422 16.890 1.00 0.00 H new ATOM 0 HG3 ARG A 54 83.500 -5.097 16.533 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.166 -4.676 18.470 1.00 0.00 H new ATOM 0 HD3 ARG A 54 85.644 -5.864 17.273 1.00 0.00 H new ATOM 0 HE ARG A 54 86.674 -3.434 16.306 1.00 0.00 H new ATOM 0 HH11 ARG A 54 86.849 -5.382 19.218 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.496 -4.879 19.613 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.792 -2.794 16.822 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.587 -3.425 18.268 1.00 0.00 H new ATOM 823 N ARG A 55 83.377 -7.103 14.906 1.00 0.00 N ATOM 824 CA ARG A 55 83.546 -8.548 14.996 1.00 0.00 C ATOM 825 C ARG A 55 83.175 -9.209 13.673 1.00 0.00 C ATOM 826 O ARG A 55 82.401 -8.658 12.890 1.00 0.00 O ATOM 827 CB ARG A 55 82.667 -9.110 16.115 1.00 0.00 C ATOM 828 CG ARG A 55 83.456 -9.124 17.425 1.00 0.00 C ATOM 829 CD ARG A 55 82.581 -9.694 18.543 1.00 0.00 C ATOM 830 NE ARG A 55 82.101 -8.619 19.404 1.00 0.00 N ATOM 831 CZ ARG A 55 80.987 -8.755 20.116 1.00 0.00 C ATOM 832 NH1 ARG A 55 80.300 -9.863 20.049 1.00 0.00 N ATOM 833 NH2 ARG A 55 80.578 -7.780 20.881 1.00 0.00 N ATOM 0 H ARG A 55 82.629 -6.726 15.488 1.00 0.00 H new ATOM 0 HA ARG A 55 84.592 -8.761 15.218 1.00 0.00 H new ATOM 0 HB2 ARG A 55 81.768 -8.503 16.226 1.00 0.00 H new ATOM 0 HB3 ARG A 55 82.341 -10.119 15.864 1.00 0.00 H new ATOM 0 HG2 ARG A 55 84.358 -9.726 17.312 1.00 0.00 H new ATOM 0 HG3 ARG A 55 83.777 -8.114 17.679 1.00 0.00 H new ATOM 0 HD2 ARG A 55 81.735 -10.232 18.115 1.00 0.00 H new ATOM 0 HD3 ARG A 55 83.152 -10.413 19.131 1.00 0.00 H new ATOM 0 HE ARG A 55 82.629 -7.748 19.461 1.00 0.00 H new ATOM 0 HH11 ARG A 55 80.618 -10.625 19.450 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.445 -9.967 20.596 1.00 0.00 H new ATOM 0 HH21 ARG A 55 81.113 -6.913 20.933 1.00 0.00 H new ATOM 0 HH22 ARG A 55 79.723 -7.885 21.427 1.00 0.00 H new ATOM 847 N LYS A 56 83.731 -10.390 13.430 1.00 0.00 N ATOM 848 CA LYS A 56 83.450 -11.113 12.196 1.00 0.00 C ATOM 849 C LYS A 56 84.110 -12.488 12.218 1.00 0.00 C ATOM 850 O LYS A 56 84.069 -13.191 13.228 1.00 0.00 O ATOM 851 CB LYS A 56 83.966 -10.316 10.996 1.00 0.00 C ATOM 852 CG LYS A 56 83.218 -10.749 9.735 1.00 0.00 C ATOM 853 CD LYS A 56 84.157 -10.662 8.530 1.00 0.00 C ATOM 854 CE LYS A 56 83.402 -11.071 7.264 1.00 0.00 C ATOM 855 NZ LYS A 56 83.243 -9.885 6.377 1.00 0.00 N ATOM 0 H LYS A 56 84.373 -10.864 14.065 1.00 0.00 H new ATOM 0 HA LYS A 56 82.371 -11.242 12.110 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.824 -9.249 11.167 1.00 0.00 H new ATOM 0 HB3 LYS A 56 85.036 -10.480 10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 56 82.850 -11.768 9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 56 82.348 -10.111 9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 56 84.539 -9.647 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.018 -11.313 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 56 83.945 -11.859 6.742 1.00 0.00 H new ATOM 0 HE3 LYS A 56 82.425 -11.477 7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 83.033 -10.201 5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 82.462 -9.293 6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 84.123 -9.331 6.377 1.00 0.00 H new ATOM 869 N GLY A 57 84.718 -12.864 11.098 1.00 0.00 N ATOM 870 CA GLY A 57 85.385 -14.157 10.998 1.00 0.00 C ATOM 871 C GLY A 57 86.869 -13.980 10.696 1.00 0.00 C ATOM 872 O GLY A 57 87.355 -14.405 9.648 1.00 0.00 O ATOM 0 H GLY A 57 84.763 -12.296 10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.262 -14.707 11.931 1.00 0.00 H new ATOM 0 HA3 GLY A 57 84.918 -14.752 10.213 1.00 0.00 H new ATOM 876 N ASP A 58 87.584 -13.349 11.622 1.00 0.00 N ATOM 877 CA ASP A 58 89.013 -13.118 11.446 1.00 0.00 C ATOM 878 C ASP A 58 89.790 -14.420 11.603 1.00 0.00 C ATOM 879 O ASP A 58 90.247 -14.755 12.696 1.00 0.00 O ATOM 880 CB ASP A 58 89.508 -12.101 12.475 1.00 0.00 C ATOM 881 CG ASP A 58 91.005 -11.872 12.304 1.00 0.00 C ATOM 882 OD1 ASP A 58 91.770 -12.647 12.854 1.00 0.00 O ATOM 883 OD2 ASP A 58 91.366 -10.924 11.625 1.00 0.00 O ATOM 0 H ASP A 58 87.200 -12.991 12.496 1.00 0.00 H new ATOM 0 HA ASP A 58 89.177 -12.729 10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 58 88.972 -11.160 12.355 1.00 0.00 H new ATOM 0 HB3 ASP A 58 89.300 -12.460 13.483 1.00 0.00 H new ATOM 888 N ALA A 59 89.938 -15.149 10.502 1.00 0.00 N ATOM 889 CA ALA A 59 90.664 -16.412 10.526 1.00 0.00 C ATOM 890 C ALA A 59 92.126 -16.180 10.891 1.00 0.00 C ATOM 891 O ALA A 59 92.824 -17.099 11.320 1.00 0.00 O ATOM 892 CB ALA A 59 90.580 -17.086 9.156 1.00 0.00 C ATOM 0 H ALA A 59 89.567 -14.889 9.588 1.00 0.00 H new ATOM 0 HA ALA A 59 90.211 -17.058 11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 59 91.125 -18.030 9.181 1.00 0.00 H new ATOM 0 HB2 ALA A 59 89.536 -17.276 8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 59 91.019 -16.433 8.402 1.00 0.00 H new ATOM 898 N GLY A 60 92.583 -14.944 10.716 1.00 0.00 N ATOM 899 CA GLY A 60 93.964 -14.599 11.028 1.00 0.00 C ATOM 900 C GLY A 60 94.818 -14.584 9.765 1.00 0.00 C ATOM 901 O GLY A 60 96.001 -14.925 9.800 1.00 0.00 O ATOM 0 H GLY A 60 92.021 -14.170 10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 60 94.000 -13.621 11.508 1.00 0.00 H new ATOM 0 HA3 GLY A 60 94.371 -15.318 11.739 1.00 0.00 H new ATOM 905 N GLY A 61 94.211 -14.189 8.651 1.00 0.00 N ATOM 906 CA GLY A 61 94.928 -14.136 7.382 1.00 0.00 C ATOM 907 C GLY A 61 94.091 -13.450 6.308 1.00 0.00 C ATOM 908 O GLY A 61 94.474 -13.413 5.139 1.00 0.00 O ATOM 0 H GLY A 61 93.233 -13.903 8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 61 95.868 -13.599 7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 61 95.180 -15.147 7.061 1.00 0.00 H new ATOM 912 N LEU A 62 92.946 -12.908 6.711 1.00 0.00 N ATOM 913 CA LEU A 62 92.065 -12.226 5.772 1.00 0.00 C ATOM 914 C LEU A 62 92.815 -11.117 5.042 1.00 0.00 C ATOM 915 O LEU A 62 93.207 -10.118 5.645 1.00 0.00 O ATOM 916 CB LEU A 62 90.869 -11.633 6.518 1.00 0.00 C ATOM 917 CG LEU A 62 89.590 -12.348 6.080 1.00 0.00 C ATOM 918 CD1 LEU A 62 89.649 -13.816 6.509 1.00 0.00 C ATOM 919 CD2 LEU A 62 88.381 -11.675 6.734 1.00 0.00 C ATOM 0 H LEU A 62 92.609 -12.928 7.674 1.00 0.00 H new ATOM 0 HA LEU A 62 91.712 -12.952 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 62 91.008 -11.740 7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 62 90.791 -10.566 6.311 1.00 0.00 H new ATOM 0 HG LEU A 62 89.497 -12.291 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 62 88.737 -14.324 6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 62 90.510 -14.297 6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 62 89.743 -13.875 7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 62 87.469 -12.184 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 62 88.476 -11.731 7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 62 88.336 -10.630 6.427 1.00 0.00 H new ATOM 931 N LYS A 63 93.014 -11.302 3.740 1.00 0.00 N ATOM 932 CA LYS A 63 93.721 -10.311 2.938 1.00 0.00 C ATOM 933 C LYS A 63 92.775 -9.194 2.507 1.00 0.00 C ATOM 934 O LYS A 63 93.209 -8.085 2.198 1.00 0.00 O ATOM 935 CB LYS A 63 94.326 -10.977 1.700 1.00 0.00 C ATOM 936 CG LYS A 63 95.458 -10.105 1.154 1.00 0.00 C ATOM 937 CD LYS A 63 96.784 -10.535 1.785 1.00 0.00 C ATOM 938 CE LYS A 63 97.725 -9.332 1.867 1.00 0.00 C ATOM 939 NZ LYS A 63 97.437 -8.561 3.109 1.00 0.00 N ATOM 0 H LYS A 63 92.698 -12.122 3.222 1.00 0.00 H new ATOM 0 HA LYS A 63 94.517 -9.881 3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 63 94.705 -11.967 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 63 93.560 -11.116 0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.512 -10.198 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 63 95.262 -9.056 1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 63 96.610 -10.942 2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 63 97.241 -11.327 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 63 98.762 -9.667 1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 63 97.595 -8.695 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 98.076 -7.743 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 96.451 -8.230 3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 97.582 -9.172 3.938 1.00 0.00 H new ATOM 953 N SER A 64 91.480 -9.495 2.489 1.00 0.00 N ATOM 954 CA SER A 64 90.482 -8.507 2.095 1.00 0.00 C ATOM 955 C SER A 64 90.226 -7.521 3.230 1.00 0.00 C ATOM 956 O SER A 64 90.237 -6.307 3.026 1.00 0.00 O ATOM 957 CB SER A 64 89.175 -9.208 1.723 1.00 0.00 C ATOM 958 OG SER A 64 88.784 -8.811 0.415 1.00 0.00 O ATOM 0 H SER A 64 91.100 -10.407 2.740 1.00 0.00 H new ATOM 0 HA SER A 64 90.861 -7.959 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 64 89.305 -10.289 1.764 1.00 0.00 H new ATOM 0 HB3 SER A 64 88.395 -8.953 2.441 1.00 0.00 H new ATOM 0 HG SER A 64 87.947 -9.260 0.173 1.00 0.00 H new ATOM 964 N PHE A 65 89.994 -8.052 4.426 1.00 0.00 N ATOM 965 CA PHE A 65 89.734 -7.210 5.589 1.00 0.00 C ATOM 966 C PHE A 65 90.864 -6.204 5.787 1.00 0.00 C ATOM 967 O PHE A 65 90.620 -5.023 6.037 1.00 0.00 O ATOM 968 CB PHE A 65 89.597 -8.078 6.841 1.00 0.00 C ATOM 969 CG PHE A 65 88.736 -7.367 7.856 1.00 0.00 C ATOM 970 CD1 PHE A 65 87.392 -7.097 7.570 1.00 0.00 C ATOM 971 CD2 PHE A 65 89.281 -6.977 9.085 1.00 0.00 C ATOM 972 CE1 PHE A 65 86.594 -6.438 8.512 1.00 0.00 C ATOM 973 CE2 PHE A 65 88.484 -6.318 10.027 1.00 0.00 C ATOM 974 CZ PHE A 65 87.140 -6.048 9.741 1.00 0.00 C ATOM 0 H PHE A 65 89.981 -9.054 4.615 1.00 0.00 H new ATOM 0 HA PHE A 65 88.805 -6.666 5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 65 89.154 -9.040 6.583 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.581 -8.283 7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 65 86.971 -7.398 6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 65 90.317 -7.185 9.306 1.00 0.00 H new ATOM 0 HE1 PHE A 65 85.557 -6.230 8.291 1.00 0.00 H new ATOM 0 HE2 PHE A 65 88.905 -6.017 10.975 1.00 0.00 H new ATOM 0 HZ PHE A 65 86.525 -5.539 10.468 1.00 0.00 H new ATOM 984 N THR A 66 92.099 -6.679 5.673 1.00 0.00 N ATOM 985 CA THR A 66 93.259 -5.811 5.842 1.00 0.00 C ATOM 986 C THR A 66 93.239 -4.684 4.816 1.00 0.00 C ATOM 987 O THR A 66 93.714 -3.580 5.085 1.00 0.00 O ATOM 988 CB THR A 66 94.547 -6.623 5.688 1.00 0.00 C ATOM 989 OG1 THR A 66 94.407 -7.861 6.370 1.00 0.00 O ATOM 990 CG2 THR A 66 95.720 -5.841 6.279 1.00 0.00 C ATOM 0 H THR A 66 92.322 -7.652 5.466 1.00 0.00 H new ATOM 0 HA THR A 66 93.222 -5.377 6.841 1.00 0.00 H new ATOM 0 HB THR A 66 94.736 -6.809 4.631 1.00 0.00 H new ATOM 0 HG1 THR A 66 94.060 -8.537 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.636 -6.421 6.168 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.826 -4.892 5.754 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.535 -5.652 7.337 1.00 0.00 H new ATOM 998 N THR A 67 92.681 -4.965 3.644 1.00 0.00 N ATOM 999 CA THR A 67 92.600 -3.964 2.594 1.00 0.00 C ATOM 1000 C THR A 67 91.562 -2.910 2.954 1.00 0.00 C ATOM 1001 O THR A 67 91.754 -1.723 2.699 1.00 0.00 O ATOM 1002 CB THR A 67 92.218 -4.623 1.273 1.00 0.00 C ATOM 1003 OG1 THR A 67 92.132 -6.030 1.453 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.273 -4.302 0.213 1.00 0.00 C ATOM 0 H THR A 67 92.282 -5.871 3.401 1.00 0.00 H new ATOM 0 HA THR A 67 93.575 -3.487 2.491 1.00 0.00 H new ATOM 0 HB THR A 67 91.252 -4.241 0.944 1.00 0.00 H new ATOM 0 HG1 THR A 67 93.005 -6.378 1.732 1.00 0.00 H new ATOM 0 HG21 THR A 67 92.997 -4.774 -0.730 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.333 -3.223 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 67 94.242 -4.680 0.538 1.00 0.00 H new ATOM 1012 N MET A 68 90.461 -3.354 3.550 1.00 0.00 N ATOM 1013 CA MET A 68 89.401 -2.436 3.941 1.00 0.00 C ATOM 1014 C MET A 68 89.985 -1.278 4.741 1.00 0.00 C ATOM 1015 O MET A 68 89.560 -0.133 4.595 1.00 0.00 O ATOM 1016 CB MET A 68 88.353 -3.171 4.780 1.00 0.00 C ATOM 1017 CG MET A 68 87.670 -4.241 3.923 1.00 0.00 C ATOM 1018 SD MET A 68 86.220 -3.527 3.109 1.00 0.00 S ATOM 1019 CE MET A 68 84.966 -4.361 4.111 1.00 0.00 C ATOM 0 H MET A 68 90.281 -4.333 3.771 1.00 0.00 H new ATOM 0 HA MET A 68 88.925 -2.044 3.042 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.825 -3.632 5.648 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.613 -2.465 5.157 1.00 0.00 H new ATOM 0 HG2 MET A 68 88.367 -4.624 3.178 1.00 0.00 H new ATOM 0 HG3 MET A 68 87.372 -5.085 4.545 1.00 0.00 H new ATOM 0 HE1 MET A 68 83.973 -4.061 3.775 1.00 0.00 H new ATOM 0 HE2 MET A 68 85.074 -5.440 4.005 1.00 0.00 H new ATOM 0 HE3 MET A 68 85.094 -4.085 5.158 1.00 0.00 H new ATOM 1029 N GLN A 69 90.972 -1.583 5.579 1.00 0.00 N ATOM 1030 CA GLN A 69 91.619 -0.557 6.389 1.00 0.00 C ATOM 1031 C GLN A 69 92.639 0.212 5.557 1.00 0.00 C ATOM 1032 O GLN A 69 92.872 1.399 5.784 1.00 0.00 O ATOM 1033 CB GLN A 69 92.312 -1.199 7.592 1.00 0.00 C ATOM 1034 CG GLN A 69 91.566 -0.822 8.872 1.00 0.00 C ATOM 1035 CD GLN A 69 92.181 -1.546 10.065 1.00 0.00 C ATOM 1036 OE1 GLN A 69 92.981 -0.966 10.799 1.00 0.00 O ATOM 1037 NE2 GLN A 69 91.854 -2.787 10.303 1.00 0.00 N ATOM 0 H GLN A 69 91.339 -2.525 5.714 1.00 0.00 H new ATOM 0 HA GLN A 69 90.857 0.138 6.742 1.00 0.00 H new ATOM 0 HB2 GLN A 69 92.334 -2.283 7.477 1.00 0.00 H new ATOM 0 HB3 GLN A 69 93.348 -0.864 7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 69 91.613 0.256 9.026 1.00 0.00 H new ATOM 0 HG3 GLN A 69 90.512 -1.085 8.780 1.00 0.00 H new ATOM 0 HE21 GLN A 69 91.191 -3.266 9.693 1.00 0.00 H new ATOM 0 HE22 GLN A 69 92.262 -3.278 11.099 1.00 0.00 H new ATOM 1046 N THR A 70 93.244 -0.472 4.591 1.00 0.00 N ATOM 1047 CA THR A 70 94.237 0.160 3.730 1.00 0.00 C ATOM 1048 C THR A 70 93.564 1.134 2.770 1.00 0.00 C ATOM 1049 O THR A 70 93.989 2.282 2.635 1.00 0.00 O ATOM 1050 CB THR A 70 94.995 -0.906 2.935 1.00 0.00 C ATOM 1051 OG1 THR A 70 95.452 -1.918 3.822 1.00 0.00 O ATOM 1052 CG2 THR A 70 96.190 -0.266 2.229 1.00 0.00 C ATOM 0 H THR A 70 93.066 -1.455 4.386 1.00 0.00 H new ATOM 0 HA THR A 70 94.940 0.710 4.356 1.00 0.00 H new ATOM 0 HB THR A 70 94.331 -1.346 2.191 1.00 0.00 H new ATOM 0 HG1 THR A 70 94.703 -2.501 4.067 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.729 -1.026 1.663 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.838 0.510 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.857 0.175 2.970 1.00 0.00 H new ATOM 1060 N ALA A 71 92.508 0.672 2.107 1.00 0.00 N ATOM 1061 CA ALA A 71 91.783 1.515 1.166 1.00 0.00 C ATOM 1062 C ALA A 71 91.005 2.600 1.902 1.00 0.00 C ATOM 1063 O ALA A 71 90.851 3.710 1.398 1.00 0.00 O ATOM 1064 CB ALA A 71 90.823 0.668 0.334 1.00 0.00 C ATOM 0 H ALA A 71 92.139 -0.274 2.203 1.00 0.00 H new ATOM 0 HA ALA A 71 92.508 1.992 0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 71 90.286 1.308 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 71 91.387 -0.083 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 71 90.110 0.173 0.993 1.00 0.00 H new ATOM 1070 N LEU A 72 90.516 2.278 3.098 1.00 0.00 N ATOM 1071 CA LEU A 72 89.759 3.249 3.879 1.00 0.00 C ATOM 1072 C LEU A 72 90.565 4.530 4.034 1.00 0.00 C ATOM 1073 O LEU A 72 90.073 5.624 3.757 1.00 0.00 O ATOM 1074 CB LEU A 72 89.441 2.678 5.260 1.00 0.00 C ATOM 1075 CG LEU A 72 88.020 2.113 5.264 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.784 1.338 6.561 1.00 0.00 C ATOM 1077 CD2 LEU A 72 87.015 3.262 5.168 1.00 0.00 C ATOM 0 H LEU A 72 90.629 1.366 3.541 1.00 0.00 H new ATOM 0 HA LEU A 72 88.827 3.468 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 72 90.156 1.895 5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 72 89.537 3.456 6.018 1.00 0.00 H new ATOM 0 HG LEU A 72 87.892 1.445 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 72 86.771 0.935 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 72 88.501 0.520 6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.912 2.006 7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 72 86.002 2.860 5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 72 87.143 3.930 6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 72 87.183 3.816 4.245 1.00 0.00 H new ATOM 1089 N ASN A 73 91.810 4.386 4.472 1.00 0.00 N ATOM 1090 CA ASN A 73 92.681 5.540 4.651 1.00 0.00 C ATOM 1091 C ASN A 73 92.857 6.284 3.328 1.00 0.00 C ATOM 1092 O ASN A 73 92.911 7.514 3.299 1.00 0.00 O ATOM 1093 CB ASN A 73 94.046 5.087 5.171 1.00 0.00 C ATOM 1094 CG ASN A 73 94.168 5.399 6.658 1.00 0.00 C ATOM 1095 OD1 ASN A 73 93.829 6.500 7.092 1.00 0.00 O ATOM 1096 ND2 ASN A 73 94.634 4.490 7.470 1.00 0.00 N ATOM 0 H ASN A 73 92.236 3.490 4.708 1.00 0.00 H new ATOM 0 HA ASN A 73 92.223 6.212 5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 73 94.171 4.017 5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.840 5.590 4.619 1.00 0.00 H new ATOM 0 HD21 ASN A 73 94.718 4.691 8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 73 94.914 3.578 7.108 1.00 0.00 H new ATOM 1103 N SER A 74 92.946 5.528 2.237 1.00 0.00 N ATOM 1104 CA SER A 74 93.116 6.120 0.913 1.00 0.00 C ATOM 1105 C SER A 74 91.840 6.825 0.461 1.00 0.00 C ATOM 1106 O SER A 74 91.883 7.958 -0.018 1.00 0.00 O ATOM 1107 CB SER A 74 93.485 5.035 -0.098 1.00 0.00 C ATOM 1108 OG SER A 74 94.090 3.944 0.584 1.00 0.00 O ATOM 0 H SER A 74 92.904 4.509 2.243 1.00 0.00 H new ATOM 0 HA SER A 74 93.917 6.857 0.970 1.00 0.00 H new ATOM 0 HB2 SER A 74 92.594 4.698 -0.629 1.00 0.00 H new ATOM 0 HB3 SER A 74 94.169 5.436 -0.846 1.00 0.00 H new ATOM 0 HG SER A 74 94.976 4.211 0.906 1.00 0.00 H new ATOM 1114 N LEU A 75 90.706 6.150 0.619 1.00 0.00 N ATOM 1115 CA LEU A 75 89.425 6.725 0.225 1.00 0.00 C ATOM 1116 C LEU A 75 89.320 8.147 0.735 1.00 0.00 C ATOM 1117 O LEU A 75 89.326 9.110 -0.030 1.00 0.00 O ATOM 1118 CB LEU A 75 88.277 5.911 0.827 1.00 0.00 C ATOM 1119 CG LEU A 75 88.120 4.611 0.048 1.00 0.00 C ATOM 1120 CD1 LEU A 75 87.502 3.528 0.940 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.213 4.844 -1.164 1.00 0.00 C ATOM 0 H LEU A 75 90.648 5.211 1.014 1.00 0.00 H new ATOM 0 HA LEU A 75 89.361 6.711 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.479 5.697 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 75 87.351 6.485 0.791 1.00 0.00 H new ATOM 0 HG LEU A 75 89.104 4.281 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 75 87.396 2.605 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 75 88.149 3.352 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 75 86.522 3.857 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 75 87.102 3.913 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.234 5.184 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.657 5.602 -1.810 1.00 0.00 H new ATOM 1133 N ALA A 76 89.219 8.249 2.047 1.00 0.00 N ATOM 1134 CA ALA A 76 89.105 9.544 2.707 1.00 0.00 C ATOM 1135 C ALA A 76 90.134 10.526 2.155 1.00 0.00 C ATOM 1136 O ALA A 76 89.987 11.739 2.300 1.00 0.00 O ATOM 1137 CB ALA A 76 89.312 9.381 4.213 1.00 0.00 C ATOM 0 H ALA A 76 89.213 7.450 2.682 1.00 0.00 H new ATOM 0 HA ALA A 76 88.107 9.939 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 76 89.225 10.353 4.699 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.555 8.706 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 76 90.303 8.968 4.401 1.00 0.00 H new ATOM 1143 N GLY A 77 91.174 9.994 1.524 1.00 0.00 N ATOM 1144 CA GLY A 77 92.220 10.836 0.955 1.00 0.00 C ATOM 1145 C GLY A 77 91.685 11.652 -0.216 1.00 0.00 C ATOM 1146 O GLY A 77 92.057 12.811 -0.400 1.00 0.00 O ATOM 0 H GLY A 77 91.316 8.992 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 77 92.611 11.505 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 77 93.051 10.215 0.621 1.00 0.00 H new ATOM 1150 N TYR A 78 90.811 11.038 -1.007 1.00 0.00 N ATOM 1151 CA TYR A 78 90.231 11.714 -2.162 1.00 0.00 C ATOM 1152 C TYR A 78 89.197 12.746 -1.722 1.00 0.00 C ATOM 1153 O TYR A 78 89.092 13.823 -2.309 1.00 0.00 O ATOM 1154 CB TYR A 78 89.566 10.693 -3.086 1.00 0.00 C ATOM 1155 CG TYR A 78 88.433 11.355 -3.832 1.00 0.00 C ATOM 1156 CD1 TYR A 78 88.664 12.531 -4.556 1.00 0.00 C ATOM 1157 CD2 TYR A 78 87.150 10.795 -3.797 1.00 0.00 C ATOM 1158 CE1 TYR A 78 87.613 13.146 -5.246 1.00 0.00 C ATOM 1159 CE2 TYR A 78 86.099 11.410 -4.488 1.00 0.00 C ATOM 1160 CZ TYR A 78 86.331 12.586 -5.212 1.00 0.00 C ATOM 1161 OH TYR A 78 85.295 13.193 -5.893 1.00 0.00 O ATOM 0 H TYR A 78 90.490 10.079 -0.871 1.00 0.00 H new ATOM 0 HA TYR A 78 91.033 12.224 -2.696 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.296 10.294 -3.790 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.190 9.851 -2.505 1.00 0.00 H new ATOM 0 HD1 TYR A 78 89.653 12.964 -4.582 1.00 0.00 H new ATOM 0 HD2 TYR A 78 86.971 9.889 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 78 87.791 14.053 -5.805 1.00 0.00 H new ATOM 0 HE2 TYR A 78 85.110 10.978 -4.463 1.00 0.00 H new ATOM 0 HH TYR A 78 84.473 12.675 -5.767 1.00 0.00 H new ATOM 1171 N TYR A 79 88.430 12.406 -0.691 1.00 0.00 N ATOM 1172 CA TYR A 79 87.401 13.308 -0.186 1.00 0.00 C ATOM 1173 C TYR A 79 88.027 14.567 0.408 1.00 0.00 C ATOM 1174 O TYR A 79 87.322 15.510 0.769 1.00 0.00 O ATOM 1175 CB TYR A 79 86.566 12.596 0.881 1.00 0.00 C ATOM 1176 CG TYR A 79 86.314 13.536 2.035 1.00 0.00 C ATOM 1177 CD1 TYR A 79 87.310 13.746 2.997 1.00 0.00 C ATOM 1178 CD2 TYR A 79 85.085 14.198 2.144 1.00 0.00 C ATOM 1179 CE1 TYR A 79 87.077 14.617 4.067 1.00 0.00 C ATOM 1180 CE2 TYR A 79 84.852 15.070 3.214 1.00 0.00 C ATOM 1181 CZ TYR A 79 85.848 15.280 4.176 1.00 0.00 C ATOM 1182 OH TYR A 79 85.618 16.139 5.231 1.00 0.00 O ATOM 0 H TYR A 79 88.500 11.519 -0.192 1.00 0.00 H new ATOM 0 HA TYR A 79 86.760 13.599 -1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 79 85.619 12.264 0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 79 87.087 11.705 1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 79 88.258 13.236 2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 79 84.317 14.036 1.402 1.00 0.00 H new ATOM 0 HE1 TYR A 79 87.845 14.778 4.809 1.00 0.00 H new ATOM 0 HE2 TYR A 79 83.904 15.581 3.298 1.00 0.00 H new ATOM 0 HH TYR A 79 84.717 16.516 5.155 1.00 0.00 H new ATOM 1192 N THR A 80 89.352 14.577 0.506 1.00 0.00 N ATOM 1193 CA THR A 80 90.057 15.728 1.059 1.00 0.00 C ATOM 1194 C THR A 80 89.705 16.997 0.289 1.00 0.00 C ATOM 1195 O THR A 80 89.915 17.080 -0.922 1.00 0.00 O ATOM 1196 CB THR A 80 91.568 15.494 0.998 1.00 0.00 C ATOM 1197 OG1 THR A 80 91.868 14.209 1.524 1.00 0.00 O ATOM 1198 CG2 THR A 80 92.286 16.565 1.821 1.00 0.00 C ATOM 0 H THR A 80 89.955 13.809 0.213 1.00 0.00 H new ATOM 0 HA THR A 80 89.750 15.852 2.097 1.00 0.00 H new ATOM 0 HB THR A 80 91.903 15.550 -0.038 1.00 0.00 H new ATOM 0 HG1 THR A 80 92.354 13.686 0.853 1.00 0.00 H new ATOM 0 HG21 THR A 80 93.362 16.397 1.777 1.00 0.00 H new ATOM 0 HG22 THR A 80 92.055 17.550 1.416 1.00 0.00 H new ATOM 0 HG23 THR A 80 91.953 16.512 2.857 1.00 0.00 H new ATOM 1206 N SER A 81 89.172 17.985 1.001 1.00 0.00 N ATOM 1207 CA SER A 81 88.797 19.249 0.379 1.00 0.00 C ATOM 1208 C SER A 81 88.048 19.008 -0.928 1.00 0.00 C ATOM 1209 O SER A 81 87.845 19.930 -1.718 1.00 0.00 O ATOM 1210 CB SER A 81 90.047 20.086 0.105 1.00 0.00 C ATOM 1211 OG SER A 81 90.214 21.035 1.151 1.00 0.00 O ATOM 0 H SER A 81 88.991 17.935 2.004 1.00 0.00 H new ATOM 0 HA SER A 81 88.141 19.786 1.064 1.00 0.00 H new ATOM 0 HB2 SER A 81 90.924 19.441 0.040 1.00 0.00 H new ATOM 0 HB3 SER A 81 89.954 20.596 -0.854 1.00 0.00 H new ATOM 0 HG SER A 81 91.015 21.573 0.980 1.00 0.00 H new ATOM 1217 N TYR A 82 87.639 17.763 -1.150 1.00 0.00 N ATOM 1218 CA TYR A 82 86.911 17.413 -2.365 1.00 0.00 C ATOM 1219 C TYR A 82 87.742 17.737 -3.603 1.00 0.00 C ATOM 1220 O TYR A 82 87.278 18.428 -4.510 1.00 0.00 O ATOM 1221 CB TYR A 82 85.590 18.182 -2.422 1.00 0.00 C ATOM 1222 CG TYR A 82 84.866 18.042 -1.105 1.00 0.00 C ATOM 1223 CD1 TYR A 82 84.064 16.920 -0.861 1.00 0.00 C ATOM 1224 CD2 TYR A 82 84.996 19.035 -0.127 1.00 0.00 C ATOM 1225 CE1 TYR A 82 83.393 16.792 0.361 1.00 0.00 C ATOM 1226 CE2 TYR A 82 84.325 18.907 1.095 1.00 0.00 C ATOM 1227 CZ TYR A 82 83.523 17.786 1.339 1.00 0.00 C ATOM 1228 OH TYR A 82 82.861 17.660 2.543 1.00 0.00 O ATOM 0 H TYR A 82 87.798 16.985 -0.510 1.00 0.00 H new ATOM 0 HA TYR A 82 86.709 16.342 -2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 82 85.779 19.234 -2.635 1.00 0.00 H new ATOM 0 HB3 TYR A 82 84.969 17.799 -3.232 1.00 0.00 H new ATOM 0 HD1 TYR A 82 83.963 16.154 -1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 82 85.614 19.900 -0.315 1.00 0.00 H new ATOM 0 HE1 TYR A 82 82.775 15.927 0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 82 84.426 19.673 1.849 1.00 0.00 H new ATOM 0 HH TYR A 82 83.060 18.435 3.108 1.00 0.00 H new ATOM 1238 N GLY A 83 88.971 17.234 -3.634 1.00 0.00 N ATOM 1239 CA GLY A 83 89.856 17.476 -4.768 1.00 0.00 C ATOM 1240 C GLY A 83 89.329 16.791 -6.024 1.00 0.00 C ATOM 1241 O GLY A 83 89.512 15.588 -6.209 1.00 0.00 O ATOM 0 H GLY A 83 89.375 16.661 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.944 18.548 -4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.856 17.107 -4.540 1.00 0.00 H new ATOM 1245 N ALA A 84 88.672 17.563 -6.884 1.00 0.00 N ATOM 1246 CA ALA A 84 88.122 17.016 -8.119 1.00 0.00 C ATOM 1247 C ALA A 84 89.217 16.845 -9.167 1.00 0.00 C ATOM 1248 O ALA A 84 89.013 17.139 -10.345 1.00 0.00 O ATOM 1249 CB ALA A 84 87.033 17.943 -8.663 1.00 0.00 C ATOM 0 H ALA A 84 88.508 18.561 -6.750 1.00 0.00 H new ATOM 0 HA ALA A 84 87.691 16.039 -7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 84 86.628 17.527 -9.585 1.00 0.00 H new ATOM 0 HB2 ALA A 84 86.235 18.038 -7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 84 87.459 18.926 -8.865 1.00 0.00 H new ATOM 1255 N ARG A 85 90.377 16.367 -8.731 1.00 0.00 N ATOM 1256 CA ARG A 85 91.498 16.160 -9.641 1.00 0.00 C ATOM 1257 C ARG A 85 91.702 14.671 -9.904 1.00 0.00 C ATOM 1258 O ARG A 85 91.188 13.826 -9.171 1.00 0.00 O ATOM 1259 CB ARG A 85 92.774 16.753 -9.039 1.00 0.00 C ATOM 1260 CG ARG A 85 92.506 17.189 -7.597 1.00 0.00 C ATOM 1261 CD ARG A 85 93.785 17.777 -6.998 1.00 0.00 C ATOM 1262 NE ARG A 85 93.779 17.624 -5.547 1.00 0.00 N ATOM 1263 CZ ARG A 85 94.011 16.445 -4.980 1.00 0.00 C ATOM 1264 NH1 ARG A 85 94.250 15.399 -5.723 1.00 0.00 N ATOM 1265 NH2 ARG A 85 94.000 16.334 -3.680 1.00 0.00 N ATOM 0 H ARG A 85 90.566 16.117 -7.760 1.00 0.00 H new ATOM 0 HA ARG A 85 91.276 16.659 -10.584 1.00 0.00 H new ATOM 0 HB2 ARG A 85 93.577 16.016 -9.064 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.106 17.605 -9.632 1.00 0.00 H new ATOM 0 HG2 ARG A 85 91.706 17.929 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 85 92.172 16.338 -7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 85 94.656 17.276 -7.420 1.00 0.00 H new ATOM 0 HD3 ARG A 85 93.866 18.832 -7.259 1.00 0.00 H new ATOM 0 HE ARG A 85 93.594 18.436 -4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 85 94.259 15.487 -6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 85 94.428 14.494 -5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 85 93.813 17.152 -3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 85 94.178 15.429 -3.244 1.00 0.00 H new ATOM 1279 N PRO A 86 92.440 14.338 -10.930 1.00 0.00 N ATOM 1280 CA PRO A 86 92.720 12.923 -11.293 1.00 0.00 C ATOM 1281 C PRO A 86 92.978 12.058 -10.063 1.00 0.00 C ATOM 1282 O PRO A 86 93.753 12.430 -9.184 1.00 0.00 O ATOM 1283 CB PRO A 86 93.969 13.025 -12.167 1.00 0.00 C ATOM 1284 CG PRO A 86 93.906 14.380 -12.795 1.00 0.00 C ATOM 1285 CD PRO A 86 93.090 15.277 -11.858 1.00 0.00 C ATOM 0 HA PRO A 86 91.879 12.448 -11.797 1.00 0.00 H new ATOM 0 HB2 PRO A 86 94.875 12.910 -11.572 1.00 0.00 H new ATOM 0 HB3 PRO A 86 93.983 12.241 -12.925 1.00 0.00 H new ATOM 0 HG2 PRO A 86 94.908 14.784 -12.938 1.00 0.00 H new ATOM 0 HG3 PRO A 86 93.440 14.327 -13.779 1.00 0.00 H new ATOM 0 HD2 PRO A 86 93.729 15.983 -11.327 1.00 0.00 H new ATOM 0 HD3 PRO A 86 92.355 15.864 -12.409 1.00 0.00 H new ATOM 1293 N ILE A 87 92.319 10.905 -10.010 1.00 0.00 N ATOM 1294 CA ILE A 87 92.474 9.991 -8.882 1.00 0.00 C ATOM 1295 C ILE A 87 93.957 9.719 -8.603 1.00 0.00 C ATOM 1296 O ILE A 87 94.613 9.023 -9.378 1.00 0.00 O ATOM 1297 CB ILE A 87 91.772 8.670 -9.197 1.00 0.00 C ATOM 1298 CG1 ILE A 87 90.336 8.952 -9.644 1.00 0.00 C ATOM 1299 CG2 ILE A 87 91.752 7.789 -7.946 1.00 0.00 C ATOM 1300 CD1 ILE A 87 89.570 7.633 -9.764 1.00 0.00 C ATOM 0 H ILE A 87 91.675 10.581 -10.732 1.00 0.00 H new ATOM 0 HA ILE A 87 92.029 10.451 -8.000 1.00 0.00 H new ATOM 0 HB ILE A 87 92.308 8.155 -9.994 1.00 0.00 H new ATOM 0 HG12 ILE A 87 89.843 9.607 -8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 87 90.338 9.472 -10.602 1.00 0.00 H new ATOM 0 HG21 ILE A 87 91.251 6.848 -8.172 1.00 0.00 H new ATOM 0 HG22 ILE A 87 92.774 7.588 -7.626 1.00 0.00 H new ATOM 0 HG23 ILE A 87 91.216 8.303 -7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 87 88.547 7.834 -10.082 1.00 0.00 H new ATOM 0 HD12 ILE A 87 90.060 6.993 -10.498 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.557 7.131 -8.797 1.00 0.00 H new ATOM 1312 N PRO A 88 94.500 10.238 -7.523 1.00 0.00 N ATOM 1313 CA PRO A 88 95.934 10.019 -7.174 1.00 0.00 C ATOM 1314 C PRO A 88 96.329 8.546 -7.260 1.00 0.00 C ATOM 1315 O PRO A 88 95.473 7.668 -7.366 1.00 0.00 O ATOM 1316 CB PRO A 88 96.047 10.529 -5.736 1.00 0.00 C ATOM 1317 CG PRO A 88 94.945 11.521 -5.579 1.00 0.00 C ATOM 1318 CD PRO A 88 93.823 11.084 -6.520 1.00 0.00 C ATOM 0 HA PRO A 88 96.602 10.534 -7.865 1.00 0.00 H new ATOM 0 HB2 PRO A 88 95.945 9.713 -5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.019 10.990 -5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 88 94.595 11.551 -4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 88 95.290 12.525 -5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 88 93.050 10.529 -5.988 1.00 0.00 H new ATOM 0 HD3 PRO A 88 93.337 11.941 -6.985 1.00 0.00 H new ATOM 1326 N GLU A 89 97.631 8.287 -7.214 1.00 0.00 N ATOM 1327 CA GLU A 89 98.135 6.925 -7.287 1.00 0.00 C ATOM 1328 C GLU A 89 97.668 6.120 -6.083 1.00 0.00 C ATOM 1329 O GLU A 89 97.120 5.039 -6.230 1.00 0.00 O ATOM 1330 CB GLU A 89 99.664 6.936 -7.334 1.00 0.00 C ATOM 1331 CG GLU A 89 100.134 7.780 -8.520 1.00 0.00 C ATOM 1332 CD GLU A 89 99.624 7.177 -9.824 1.00 0.00 C ATOM 1333 OE1 GLU A 89 100.002 6.057 -10.123 1.00 0.00 O ATOM 1334 OE2 GLU A 89 98.863 7.845 -10.505 1.00 0.00 O ATOM 0 H GLU A 89 98.353 9.002 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 89 97.748 6.461 -8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 89 100.064 7.342 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 89 100.043 5.918 -7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 89 99.771 8.802 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 89 101.223 7.829 -8.534 1.00 0.00 H new ATOM 1341 N LYS A 90 97.885 6.653 -4.892 1.00 0.00 N ATOM 1342 CA LYS A 90 97.476 5.967 -3.678 1.00 0.00 C ATOM 1343 C LYS A 90 95.968 5.756 -3.670 1.00 0.00 C ATOM 1344 O LYS A 90 95.480 4.769 -3.143 1.00 0.00 O ATOM 1345 CB LYS A 90 97.885 6.784 -2.451 1.00 0.00 C ATOM 1346 CG LYS A 90 98.477 8.122 -2.901 1.00 0.00 C ATOM 1347 CD LYS A 90 98.806 8.974 -1.674 1.00 0.00 C ATOM 1348 CE LYS A 90 98.744 10.456 -2.048 1.00 0.00 C ATOM 1349 NZ LYS A 90 97.323 10.857 -2.253 1.00 0.00 N ATOM 0 H LYS A 90 98.339 7.553 -4.740 1.00 0.00 H new ATOM 0 HA LYS A 90 97.970 4.996 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.020 6.954 -1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 90 98.616 6.231 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 90 99.378 7.953 -3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 90 97.769 8.647 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 90 98.100 8.761 -0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 90 99.799 8.724 -1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 90 99.194 11.060 -1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 90 99.319 10.637 -2.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 97.223 11.879 -2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 97.037 10.635 -3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 96.716 10.337 -1.587 1.00 0.00 H new ATOM 1363 N LEU A 91 95.237 6.685 -4.270 1.00 0.00 N ATOM 1364 CA LEU A 91 93.792 6.583 -4.336 1.00 0.00 C ATOM 1365 C LEU A 91 93.412 5.551 -5.378 1.00 0.00 C ATOM 1366 O LEU A 91 92.730 4.573 -5.087 1.00 0.00 O ATOM 1367 CB LEU A 91 93.194 7.949 -4.706 1.00 0.00 C ATOM 1368 CG LEU A 91 92.887 8.775 -3.444 1.00 0.00 C ATOM 1369 CD1 LEU A 91 91.612 8.261 -2.769 1.00 0.00 C ATOM 1370 CD2 LEU A 91 94.058 8.689 -2.459 1.00 0.00 C ATOM 0 H LEU A 91 95.624 7.516 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 91 93.400 6.277 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.891 8.495 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.280 7.806 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 91 92.740 9.814 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 91 91.407 8.855 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 91 90.774 8.345 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 91 91.746 7.217 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.830 9.277 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 91 94.219 7.649 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 91 94.960 9.080 -2.931 1.00 0.00 H new ATOM 1382 N LYS A 92 93.877 5.777 -6.596 1.00 0.00 N ATOM 1383 CA LYS A 92 93.604 4.874 -7.688 1.00 0.00 C ATOM 1384 C LYS A 92 94.238 3.519 -7.419 1.00 0.00 C ATOM 1385 O LYS A 92 93.616 2.492 -7.636 1.00 0.00 O ATOM 1386 CB LYS A 92 94.148 5.454 -8.995 1.00 0.00 C ATOM 1387 CG LYS A 92 93.826 4.506 -10.152 1.00 0.00 C ATOM 1388 CD LYS A 92 94.367 5.094 -11.457 1.00 0.00 C ATOM 1389 CE LYS A 92 93.709 4.392 -12.646 1.00 0.00 C ATOM 1390 NZ LYS A 92 94.168 2.976 -12.702 1.00 0.00 N ATOM 0 H LYS A 92 94.448 6.584 -6.848 1.00 0.00 H new ATOM 0 HA LYS A 92 92.525 4.747 -7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 92 93.707 6.433 -9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 92 95.226 5.599 -8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 92 94.270 3.528 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 92 92.749 4.358 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 92 94.166 6.165 -11.497 1.00 0.00 H new ATOM 0 HD3 LYS A 92 95.449 4.971 -11.502 1.00 0.00 H new ATOM 0 HE2 LYS A 92 92.624 4.430 -12.550 1.00 0.00 H new ATOM 0 HE3 LYS A 92 93.965 4.906 -13.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 94.478 2.749 -13.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 94.962 2.842 -12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 93.385 2.346 -12.433 1.00 0.00 H new ATOM 1404 N LYS A 93 95.480 3.527 -6.946 1.00 0.00 N ATOM 1405 CA LYS A 93 96.182 2.281 -6.655 1.00 0.00 C ATOM 1406 C LYS A 93 95.497 1.525 -5.532 1.00 0.00 C ATOM 1407 O LYS A 93 95.283 0.321 -5.629 1.00 0.00 O ATOM 1408 CB LYS A 93 97.644 2.544 -6.283 1.00 0.00 C ATOM 1409 CG LYS A 93 98.396 1.215 -6.209 1.00 0.00 C ATOM 1410 CD LYS A 93 99.354 1.105 -7.396 1.00 0.00 C ATOM 1411 CE LYS A 93 100.188 -0.170 -7.264 1.00 0.00 C ATOM 1412 NZ LYS A 93 101.632 0.163 -7.421 1.00 0.00 N ATOM 0 H LYS A 93 96.017 4.373 -6.757 1.00 0.00 H new ATOM 0 HA LYS A 93 96.156 1.673 -7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 93 98.108 3.196 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.700 3.060 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 93 98.951 1.150 -5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 93 97.690 0.384 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 93 98.792 1.089 -8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 93 100.007 1.977 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 93 100.014 -0.632 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 93 99.886 -0.895 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 102.200 -0.704 -7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 101.791 0.586 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 101.914 0.840 -6.683 1.00 0.00 H new ATOM 1426 N ARG A 94 95.142 2.231 -4.476 1.00 0.00 N ATOM 1427 CA ARG A 94 94.463 1.582 -3.357 1.00 0.00 C ATOM 1428 C ARG A 94 93.046 1.222 -3.768 1.00 0.00 C ATOM 1429 O ARG A 94 92.560 0.140 -3.450 1.00 0.00 O ATOM 1430 CB ARG A 94 94.427 2.478 -2.118 1.00 0.00 C ATOM 1431 CG ARG A 94 95.858 2.772 -1.657 1.00 0.00 C ATOM 1432 CD ARG A 94 96.331 1.664 -0.714 1.00 0.00 C ATOM 1433 NE ARG A 94 97.676 1.956 -0.231 1.00 0.00 N ATOM 1434 CZ ARG A 94 98.516 0.981 0.102 1.00 0.00 C ATOM 1435 NH1 ARG A 94 98.145 -0.267 0.002 1.00 0.00 N ATOM 1436 NH2 ARG A 94 99.714 1.271 0.531 1.00 0.00 N ATOM 0 H ARG A 94 95.305 3.232 -4.363 1.00 0.00 H new ATOM 0 HA ARG A 94 95.021 0.682 -3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 94 93.908 3.409 -2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 94 93.870 1.989 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 94 96.522 2.838 -2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 94 95.897 3.736 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 94 95.645 1.576 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 94 96.323 0.706 -1.234 1.00 0.00 H new ATOM 0 HE ARG A 94 97.978 2.927 -0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 94 97.209 -0.496 -0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 94 98.791 -1.013 0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 94 100.005 2.245 0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 94 100.359 0.523 0.787 1.00 0.00 H new ATOM 1450 N LEU A 95 92.393 2.125 -4.497 1.00 0.00 N ATOM 1451 CA LEU A 95 91.034 1.865 -4.962 1.00 0.00 C ATOM 1452 C LEU A 95 91.069 0.815 -6.051 1.00 0.00 C ATOM 1453 O LEU A 95 90.194 -0.037 -6.133 1.00 0.00 O ATOM 1454 CB LEU A 95 90.399 3.142 -5.495 1.00 0.00 C ATOM 1455 CG LEU A 95 90.225 4.103 -4.326 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.162 5.547 -4.828 1.00 0.00 C ATOM 1457 CD2 LEU A 95 88.933 3.773 -3.572 1.00 0.00 C ATOM 0 H LEU A 95 92.776 3.029 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 95 90.436 1.505 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 95 91.028 3.588 -6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.436 2.925 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 95 91.079 3.995 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.038 6.222 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 95 91.086 5.790 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.318 5.659 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 95 88.813 4.463 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.083 3.869 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 95 88.983 2.752 -3.195 1.00 0.00 H new ATOM 1469 N GLN A 96 92.109 0.874 -6.864 1.00 0.00 N ATOM 1470 CA GLN A 96 92.278 -0.104 -7.935 1.00 0.00 C ATOM 1471 C GLN A 96 92.698 -1.418 -7.314 1.00 0.00 C ATOM 1472 O GLN A 96 92.131 -2.468 -7.599 1.00 0.00 O ATOM 1473 CB GLN A 96 93.337 0.339 -8.951 1.00 0.00 C ATOM 1474 CG GLN A 96 93.510 -0.754 -10.008 1.00 0.00 C ATOM 1475 CD GLN A 96 93.568 -0.132 -11.399 1.00 0.00 C ATOM 1476 OE1 GLN A 96 92.541 0.279 -11.939 1.00 0.00 O ATOM 1477 NE2 GLN A 96 94.715 -0.040 -12.015 1.00 0.00 N ATOM 0 H GLN A 96 92.844 1.579 -6.808 1.00 0.00 H new ATOM 0 HA GLN A 96 91.333 -0.204 -8.468 1.00 0.00 H new ATOM 0 HB2 GLN A 96 93.036 1.274 -9.424 1.00 0.00 H new ATOM 0 HB3 GLN A 96 94.285 0.527 -8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 96 94.423 -1.317 -9.814 1.00 0.00 H new ATOM 0 HG3 GLN A 96 92.682 -1.460 -9.951 1.00 0.00 H new ATOM 0 HE21 GLN A 96 95.564 -0.381 -11.565 1.00 0.00 H new ATOM 0 HE22 GLN A 96 94.762 0.373 -12.946 1.00 0.00 H new ATOM 1486 N LEU A 97 93.680 -1.335 -6.433 1.00 0.00 N ATOM 1487 CA LEU A 97 94.159 -2.513 -5.734 1.00 0.00 C ATOM 1488 C LEU A 97 93.031 -3.050 -4.870 1.00 0.00 C ATOM 1489 O LEU A 97 92.818 -4.254 -4.793 1.00 0.00 O ATOM 1490 CB LEU A 97 95.377 -2.170 -4.868 1.00 0.00 C ATOM 1491 CG LEU A 97 95.901 -3.434 -4.179 1.00 0.00 C ATOM 1492 CD1 LEU A 97 97.160 -3.922 -4.898 1.00 0.00 C ATOM 1493 CD2 LEU A 97 96.242 -3.113 -2.722 1.00 0.00 C ATOM 0 H LEU A 97 94.159 -0.469 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 97 94.467 -3.269 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.161 -1.731 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.104 -1.425 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 97 95.137 -4.211 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 97 97.533 -4.821 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 97 96.921 -4.147 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 97 97.924 -3.145 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 97 96.615 -4.011 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.007 -2.337 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 97 95.347 -2.762 -2.208 1.00 0.00 H new ATOM 1505 N GLU A 98 92.291 -2.142 -4.242 1.00 0.00 N ATOM 1506 CA GLU A 98 91.165 -2.541 -3.411 1.00 0.00 C ATOM 1507 C GLU A 98 90.021 -3.002 -4.295 1.00 0.00 C ATOM 1508 O GLU A 98 89.412 -4.030 -4.042 1.00 0.00 O ATOM 1509 CB GLU A 98 90.684 -1.383 -2.540 1.00 0.00 C ATOM 1510 CG GLU A 98 89.451 -1.829 -1.749 1.00 0.00 C ATOM 1511 CD GLU A 98 88.187 -1.278 -2.400 1.00 0.00 C ATOM 1512 OE1 GLU A 98 87.884 -0.119 -2.172 1.00 0.00 O ATOM 1513 OE2 GLU A 98 87.541 -2.024 -3.118 1.00 0.00 O ATOM 0 H GLU A 98 92.449 -1.136 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 98 91.494 -3.353 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 98 91.475 -1.071 -1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 98 90.441 -0.521 -3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 98 89.406 -2.917 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 98 89.523 -1.478 -0.720 1.00 0.00 H new ATOM 1520 N PHE A 99 89.742 -2.234 -5.344 1.00 0.00 N ATOM 1521 CA PHE A 99 88.667 -2.589 -6.263 1.00 0.00 C ATOM 1522 C PHE A 99 88.970 -3.924 -6.889 1.00 0.00 C ATOM 1523 O PHE A 99 88.097 -4.768 -7.018 1.00 0.00 O ATOM 1524 CB PHE A 99 88.539 -1.552 -7.374 1.00 0.00 C ATOM 1525 CG PHE A 99 87.578 -2.038 -8.435 1.00 0.00 C ATOM 1526 CD1 PHE A 99 87.991 -2.991 -9.377 1.00 0.00 C ATOM 1527 CD2 PHE A 99 86.275 -1.531 -8.481 1.00 0.00 C ATOM 1528 CE1 PHE A 99 87.100 -3.434 -10.362 1.00 0.00 C ATOM 1529 CE2 PHE A 99 85.384 -1.975 -9.466 1.00 0.00 C ATOM 1530 CZ PHE A 99 85.796 -2.927 -10.405 1.00 0.00 C ATOM 0 H PHE A 99 90.238 -1.374 -5.577 1.00 0.00 H new ATOM 0 HA PHE A 99 87.734 -2.629 -5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 99 88.187 -0.607 -6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.516 -1.362 -7.818 1.00 0.00 H new ATOM 0 HD1 PHE A 99 88.997 -3.383 -9.343 1.00 0.00 H new ATOM 0 HD2 PHE A 99 85.956 -0.797 -7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 99 87.419 -4.167 -11.089 1.00 0.00 H new ATOM 0 HE2 PHE A 99 84.378 -1.582 -9.501 1.00 0.00 H new ATOM 0 HZ PHE A 99 85.108 -3.271 -11.163 1.00 0.00 H new ATOM 1540 N THR A 100 90.222 -4.117 -7.271 1.00 0.00 N ATOM 1541 CA THR A 100 90.602 -5.380 -7.873 1.00 0.00 C ATOM 1542 C THR A 100 90.756 -6.427 -6.784 1.00 0.00 C ATOM 1543 O THR A 100 90.253 -7.541 -6.909 1.00 0.00 O ATOM 1544 CB THR A 100 91.889 -5.229 -8.686 1.00 0.00 C ATOM 1545 OG1 THR A 100 91.831 -6.085 -9.817 1.00 0.00 O ATOM 1546 CG2 THR A 100 93.115 -5.585 -7.841 1.00 0.00 C ATOM 0 H THR A 100 90.974 -3.434 -7.178 1.00 0.00 H new ATOM 0 HA THR A 100 89.821 -5.702 -8.562 1.00 0.00 H new ATOM 0 HB THR A 100 91.979 -4.191 -9.005 1.00 0.00 H new ATOM 0 HG1 THR A 100 92.653 -5.990 -10.342 1.00 0.00 H new ATOM 0 HG21 THR A 100 94.017 -5.470 -8.442 1.00 0.00 H new ATOM 0 HG22 THR A 100 93.167 -4.922 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 100 93.035 -6.618 -7.501 1.00 0.00 H new ATOM 1554 N GLN A 101 91.421 -6.059 -5.696 1.00 0.00 N ATOM 1555 CA GLN A 101 91.578 -7.003 -4.593 1.00 0.00 C ATOM 1556 C GLN A 101 90.203 -7.333 -4.033 1.00 0.00 C ATOM 1557 O GLN A 101 89.964 -8.430 -3.537 1.00 0.00 O ATOM 1558 CB GLN A 101 92.463 -6.430 -3.483 1.00 0.00 C ATOM 1559 CG GLN A 101 92.576 -7.451 -2.350 1.00 0.00 C ATOM 1560 CD GLN A 101 94.044 -7.717 -2.032 1.00 0.00 C ATOM 1561 OE1 GLN A 101 94.559 -7.234 -1.024 1.00 0.00 O ATOM 1562 NE2 GLN A 101 94.751 -8.461 -2.838 1.00 0.00 N ATOM 0 H GLN A 101 91.849 -5.144 -5.553 1.00 0.00 H new ATOM 0 HA GLN A 101 92.063 -7.903 -4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 101 93.452 -6.194 -3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 101 92.039 -5.499 -3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 101 92.065 -7.079 -1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 101 92.083 -8.380 -2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 101 94.321 -8.860 -3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 101 95.733 -8.644 -2.633 1.00 0.00 H new ATOM 1571 N ALA A 102 89.295 -6.371 -4.137 1.00 0.00 N ATOM 1572 CA ALA A 102 87.932 -6.564 -3.663 1.00 0.00 C ATOM 1573 C ALA A 102 87.092 -7.215 -4.745 1.00 0.00 C ATOM 1574 O ALA A 102 86.474 -8.252 -4.532 1.00 0.00 O ATOM 1575 CB ALA A 102 87.297 -5.229 -3.275 1.00 0.00 C ATOM 0 H ALA A 102 89.477 -5.453 -4.544 1.00 0.00 H new ATOM 0 HA ALA A 102 87.969 -7.209 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 102 86.279 -5.399 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 102 87.882 -4.765 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.276 -4.570 -4.143 1.00 0.00 H new ATOM 1581 N GLU A 103 87.069 -6.581 -5.906 1.00 0.00 N ATOM 1582 CA GLU A 103 86.290 -7.082 -7.029 1.00 0.00 C ATOM 1583 C GLU A 103 86.955 -8.288 -7.679 1.00 0.00 C ATOM 1584 O GLU A 103 86.316 -9.320 -7.884 1.00 0.00 O ATOM 1585 CB GLU A 103 86.115 -5.978 -8.071 1.00 0.00 C ATOM 1586 CG GLU A 103 84.953 -6.331 -9.001 1.00 0.00 C ATOM 1587 CD GLU A 103 85.350 -6.081 -10.452 1.00 0.00 C ATOM 1588 OE1 GLU A 103 86.443 -6.477 -10.824 1.00 0.00 O ATOM 1589 OE2 GLU A 103 84.555 -5.498 -11.171 1.00 0.00 O ATOM 0 H GLU A 103 87.580 -5.719 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 103 85.318 -7.393 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 103 85.923 -5.025 -7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 103 87.032 -5.859 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 103 84.674 -7.376 -8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.078 -5.732 -8.747 1.00 0.00 H new ATOM 1596 N ARG A 104 88.232 -8.154 -8.024 1.00 0.00 N ATOM 1597 CA ARG A 104 88.938 -9.260 -8.678 1.00 0.00 C ATOM 1598 C ARG A 104 89.010 -10.495 -7.780 1.00 0.00 C ATOM 1599 O ARG A 104 88.660 -11.596 -8.204 1.00 0.00 O ATOM 1600 CB ARG A 104 90.355 -8.843 -9.082 1.00 0.00 C ATOM 1601 CG ARG A 104 90.720 -9.517 -10.407 1.00 0.00 C ATOM 1602 CD ARG A 104 92.176 -9.208 -10.759 1.00 0.00 C ATOM 1603 NE ARG A 104 93.073 -10.116 -10.055 1.00 0.00 N ATOM 1604 CZ ARG A 104 94.384 -9.898 -10.027 1.00 0.00 C ATOM 1605 NH1 ARG A 104 94.884 -8.856 -10.634 1.00 0.00 N ATOM 1606 NH2 ARG A 104 95.170 -10.724 -9.394 1.00 0.00 N ATOM 0 H ARG A 104 88.791 -7.315 -7.869 1.00 0.00 H new ATOM 0 HA ARG A 104 88.368 -9.514 -9.572 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.413 -7.759 -9.184 1.00 0.00 H new ATOM 0 HB3 ARG A 104 91.066 -9.129 -8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 104 90.575 -10.595 -10.330 1.00 0.00 H new ATOM 0 HG3 ARG A 104 90.061 -9.163 -11.200 1.00 0.00 H new ATOM 0 HD2 ARG A 104 92.324 -9.302 -11.835 1.00 0.00 H new ATOM 0 HD3 ARG A 104 92.410 -8.177 -10.493 1.00 0.00 H new ATOM 0 HE ARG A 104 92.689 -10.931 -9.577 1.00 0.00 H new ATOM 0 HH11 ARG A 104 94.269 -8.210 -11.129 1.00 0.00 H new ATOM 0 HH12 ARG A 104 95.890 -8.688 -10.613 1.00 0.00 H new ATOM 0 HH21 ARG A 104 94.779 -11.538 -8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 104 96.176 -10.556 -9.373 1.00 0.00 H new ATOM 1620 N SER A 105 89.480 -10.316 -6.549 1.00 0.00 N ATOM 1621 CA SER A 105 89.607 -11.441 -5.625 1.00 0.00 C ATOM 1622 C SER A 105 88.247 -12.049 -5.286 1.00 0.00 C ATOM 1623 O SER A 105 88.044 -13.251 -5.452 1.00 0.00 O ATOM 1624 CB SER A 105 90.296 -10.995 -4.338 1.00 0.00 C ATOM 1625 OG SER A 105 91.019 -12.089 -3.790 1.00 0.00 O ATOM 0 H SER A 105 89.776 -9.416 -6.171 1.00 0.00 H new ATOM 0 HA SER A 105 90.209 -12.202 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 105 90.971 -10.164 -4.542 1.00 0.00 H new ATOM 0 HB3 SER A 105 89.557 -10.637 -3.621 1.00 0.00 H new ATOM 0 HG SER A 105 91.464 -11.806 -2.964 1.00 0.00 H new ATOM 1631 N ILE A 106 87.322 -11.227 -4.797 1.00 0.00 N ATOM 1632 CA ILE A 106 86.000 -11.739 -4.432 1.00 0.00 C ATOM 1633 C ILE A 106 85.322 -12.396 -5.630 1.00 0.00 C ATOM 1634 O ILE A 106 84.502 -13.299 -5.470 1.00 0.00 O ATOM 1635 CB ILE A 106 85.107 -10.617 -3.895 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.790 -9.941 -2.700 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.769 -11.205 -3.446 1.00 0.00 C ATOM 1638 CD1 ILE A 106 85.446 -10.699 -1.414 1.00 0.00 C ATOM 0 H ILE A 106 87.455 -10.227 -4.646 1.00 0.00 H new ATOM 0 HA ILE A 106 86.143 -12.484 -3.650 1.00 0.00 H new ATOM 0 HB ILE A 106 84.940 -9.881 -4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.870 -9.925 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.464 -8.904 -2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 106 83.131 -10.408 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 106 83.280 -11.685 -4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.940 -11.941 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.933 -10.217 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 106 84.366 -10.692 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 106 85.794 -11.729 -1.494 1.00 0.00 H new ATOM 1650 N GLU A 107 85.666 -11.940 -6.830 1.00 0.00 N ATOM 1651 CA GLU A 107 85.076 -12.498 -8.042 1.00 0.00 C ATOM 1652 C GLU A 107 85.493 -13.955 -8.222 1.00 0.00 C ATOM 1653 O GLU A 107 84.873 -14.698 -8.983 1.00 0.00 O ATOM 1654 CB GLU A 107 85.514 -11.686 -9.262 1.00 0.00 C ATOM 1655 CG GLU A 107 84.512 -10.556 -9.509 1.00 0.00 C ATOM 1656 CD GLU A 107 83.330 -11.077 -10.321 1.00 0.00 C ATOM 1657 OE1 GLU A 107 82.376 -11.534 -9.714 1.00 0.00 O ATOM 1658 OE2 GLU A 107 83.397 -11.010 -11.537 1.00 0.00 O ATOM 0 H GLU A 107 86.343 -11.194 -6.989 1.00 0.00 H new ATOM 0 HA GLU A 107 83.991 -12.451 -7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 107 86.510 -11.274 -9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.575 -12.331 -10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 107 84.162 -10.154 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 107 84.997 -9.738 -10.041 1.00 0.00 H new ATOM 1665 N ARG A 108 86.546 -14.356 -7.517 1.00 0.00 N ATOM 1666 CA ARG A 108 87.036 -15.727 -7.607 1.00 0.00 C ATOM 1667 C ARG A 108 87.373 -16.081 -9.053 1.00 0.00 C ATOM 1668 O ARG A 108 86.654 -16.841 -9.701 1.00 0.00 O ATOM 1669 CB ARG A 108 85.978 -16.695 -7.075 1.00 0.00 C ATOM 1670 CG ARG A 108 86.249 -16.985 -5.596 1.00 0.00 C ATOM 1671 CD ARG A 108 87.345 -18.046 -5.471 1.00 0.00 C ATOM 1672 NE ARG A 108 86.761 -19.337 -5.124 1.00 0.00 N ATOM 1673 CZ ARG A 108 86.536 -19.670 -3.857 1.00 0.00 C ATOM 1674 NH1 ARG A 108 86.839 -18.836 -2.900 1.00 0.00 N ATOM 1675 NH2 ARG A 108 86.011 -20.830 -3.569 1.00 0.00 N ATOM 0 H ARG A 108 87.073 -13.757 -6.882 1.00 0.00 H new ATOM 0 HA ARG A 108 87.940 -15.811 -7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 108 84.983 -16.266 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.997 -17.622 -7.648 1.00 0.00 H new ATOM 0 HG2 ARG A 108 86.554 -16.071 -5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 108 85.337 -17.332 -5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 108 87.891 -18.127 -6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 108 88.065 -17.748 -4.708 1.00 0.00 H new ATOM 0 HE ARG A 108 86.521 -19.995 -5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.248 -17.929 -3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 108 86.666 -19.091 -1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 108 85.773 -21.482 -4.317 1.00 0.00 H new ATOM 0 HH22 ARG A 108 85.839 -21.085 -2.596 1.00 0.00 H new ATOM 1689 N GLY A 109 88.473 -15.524 -9.551 1.00 0.00 N ATOM 1690 CA GLY A 109 88.897 -15.787 -10.922 1.00 0.00 C ATOM 1691 C GLY A 109 90.349 -16.251 -10.962 1.00 0.00 C ATOM 1692 O GLY A 109 90.697 -17.165 -11.710 1.00 0.00 O ATOM 0 H GLY A 109 89.082 -14.893 -9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 109 88.255 -16.548 -11.366 1.00 0.00 H new ATOM 0 HA3 GLY A 109 88.783 -14.884 -11.522 1.00 0.00 H new ATOM 1696 N VAL A 110 91.192 -15.617 -10.154 1.00 0.00 N ATOM 1697 CA VAL A 110 92.605 -15.975 -10.106 1.00 0.00 C ATOM 1698 C VAL A 110 92.914 -16.760 -8.835 1.00 0.00 C ATOM 1699 O VAL A 110 93.707 -16.277 -8.043 1.00 0.00 O ATOM 1700 CB VAL A 110 93.467 -14.713 -10.150 1.00 0.00 C ATOM 1701 CG1 VAL A 110 93.191 -13.951 -11.448 1.00 0.00 C ATOM 1702 CG2 VAL A 110 93.127 -13.821 -8.954 1.00 0.00 C ATOM 1703 OXT VAL A 110 92.354 -17.831 -8.672 1.00 0.00 O ATOM 0 H VAL A 110 90.924 -14.858 -9.528 1.00 0.00 H new ATOM 0 HA VAL A 110 92.832 -16.599 -10.971 1.00 0.00 H new ATOM 0 HB VAL A 110 94.520 -14.991 -10.109 1.00 0.00 H new ATOM 0 HG11 VAL A 110 93.805 -13.051 -11.479 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.433 -14.585 -12.301 1.00 0.00 H new ATOM 0 HG13 VAL A 110 92.138 -13.673 -11.490 1.00 0.00 H new ATOM 0 HG21 VAL A 110 93.741 -12.921 -8.985 1.00 0.00 H new ATOM 0 HG22 VAL A 110 92.074 -13.543 -8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.323 -14.363 -8.029 1.00 0.00 H new TER 1713 VAL A 110