USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1167 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 115 HIS : no HE2:sc= -17.6! C(o=-22!,f=-32!) USER MOD Set 1.2: A 118 MET CE :methyl 154:sc= -4.45! (180deg=-0.539) USER MOD Set 2.1: A 107 ASN :FLIP amide:sc= -1.68! C(o=-5.9!,f=-0.52!) USER MOD Set 2.2: A 112 THR OG1 : rot 53:sc= 1.16 USER MOD Set 3.1: A 71 ASN :FLIP amide:sc= -0.814 F(o=-7!,f=-2.5) USER MOD Set 3.2: A 74 GLN : amide:sc= -1.7! C(o=-2.5!,f=-4.4!) USER MOD Set 4.1: A 31 SER OG : rot 71:sc= 0.101 USER MOD Set 4.2: A 62 THR OG1 : rot 67:sc= 0.238 USER MOD Set 5.1: A 40 TYR OH : rot -77:sc= 1.29 USER MOD Set 5.2: A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 38 SER OG : rot -140:sc= -0.296 USER MOD Set 6.2: A 157 LYS NZ :NH3+ -119:sc= 0.104 (180deg=0) USER MOD Single : A 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 119:sc= 1.24 USER MOD Single : A 9 SER OG : rot -75:sc= 1.14 USER MOD Single : A 10 ASN : amide:sc= -0.772 K(o=-0.77,f=-4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -2.55! C(o=-5.6!,f=-2.5!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.743 F(o=-2.7!,f=-0.74) USER MOD Single : A 23 LYS NZ :NH3+ -112:sc= -1.07 (180deg=-1.36) USER MOD Single : A 32 HIS : no HD1:sc=-0.00429 X(o=-0.0043,f=0) USER MOD Single : A 35 THR OG1 : rot -160:sc= -4.4! USER MOD Single : A 37 SER OG : rot 180:sc= -0.198 USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 48 GLN :FLIP amide:sc= -6.99! C(o=-12!,f=-7!) USER MOD Single : A 50 GLN :FLIP amide:sc= -4.18! C(o=-6!,f=-4.2!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -5.3 K(o=-5.3,f=-11!) USER MOD Single : A 63 SER OG : rot -22:sc= 0.133 USER MOD Single : A 72 HIS : no HE2:sc= -0.396 K(o=-0.4,f=-2.8) USER MOD Single : A 73 THR OG1 : rot -5:sc= -0.819 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.3!) USER MOD Single : A 93 THR OG1 : rot -24:sc= 0.068 USER MOD Single : A 99 MET CE :methyl 151:sc= -3.01! (180deg=-5.31!) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.865 F(o=-6.5!,f=-0.86) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -161:sc= -0.359 (180deg=-0.804) USER MOD Single : A 120 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.61) USER MOD Single : A 142 MET CE :methyl 157:sc= -0.163 (180deg=-0.284) USER MOD Single : A 145 GLN :FLIP amide:sc= -15.8! C(o=-23!,f=-16!) USER MOD Single : A 148 HIS :FLIP no HE2:sc= -0.103 F(o=-1.3,f=-0.1) USER MOD Single : A 149 THR OG1 : rot -21:sc= 0.12 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 ASN :FLIP amide:sc= -0.0967 F(o=-2.7!,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.088 -8.847 -14.589 1.00 0.82 N ATOM 2 CA THR A 1 2.346 -9.302 -13.385 1.00 0.59 C ATOM 3 C THR A 1 1.860 -8.118 -12.556 1.00 0.52 C ATOM 4 O THR A 1 2.641 -7.482 -11.847 1.00 0.52 O ATOM 5 CB THR A 1 3.271 -10.184 -12.546 1.00 0.64 C ATOM 6 OG1 THR A 1 3.652 -11.343 -13.267 1.00 0.92 O ATOM 7 CG2 THR A 1 2.649 -10.638 -11.241 1.00 0.62 C ATOM 0 H1 THR A 1 3.406 -9.674 -15.134 1.00 0.82 H new ATOM 0 H2 THR A 1 2.464 -8.262 -15.181 1.00 0.82 H new ATOM 0 H3 THR A 1 3.914 -8.286 -14.297 1.00 0.82 H new ATOM 0 HA THR A 1 1.469 -9.867 -13.700 1.00 0.59 H new ATOM 0 HB THR A 1 4.135 -9.559 -12.319 1.00 0.64 H new ATOM 0 HG1 THR A 1 4.245 -11.893 -12.713 1.00 0.92 H new ATOM 0 HG21 THR A 1 3.359 -11.260 -10.696 1.00 0.62 H new ATOM 0 HG22 THR A 1 2.392 -9.767 -10.638 1.00 0.62 H new ATOM 0 HG23 THR A 1 1.747 -11.214 -11.449 1.00 0.62 H new ATOM 17 N VAL A 2 0.566 -7.832 -12.644 1.00 0.54 N ATOM 18 CA VAL A 2 -0.023 -6.729 -11.898 1.00 0.54 C ATOM 19 C VAL A 2 0.013 -7.010 -10.400 1.00 0.44 C ATOM 20 O VAL A 2 -0.783 -7.798 -9.887 1.00 0.45 O ATOM 21 CB VAL A 2 -1.480 -6.473 -12.328 1.00 0.65 C ATOM 22 CG1 VAL A 2 -2.069 -5.299 -11.561 1.00 1.49 C ATOM 23 CG2 VAL A 2 -1.558 -6.231 -13.827 1.00 1.42 C ATOM 0 H VAL A 2 -0.094 -8.349 -13.225 1.00 0.54 H new ATOM 0 HA VAL A 2 0.570 -5.841 -12.117 1.00 0.54 H new ATOM 0 HB VAL A 2 -2.068 -7.360 -12.093 1.00 0.65 H new ATOM 0 HG11 VAL A 2 -3.098 -5.136 -11.880 1.00 1.49 H new ATOM 0 HG12 VAL A 2 -2.050 -5.516 -10.493 1.00 1.49 H new ATOM 0 HG13 VAL A 2 -1.481 -4.403 -11.759 1.00 1.49 H new ATOM 0 HG21 VAL A 2 -2.594 -6.052 -14.113 1.00 1.42 H new ATOM 0 HG22 VAL A 2 -0.954 -5.361 -14.087 1.00 1.42 H new ATOM 0 HG23 VAL A 2 -1.181 -7.106 -14.357 1.00 1.42 H new ATOM 33 N ALA A 3 0.942 -6.361 -9.706 1.00 0.43 N ATOM 34 CA ALA A 3 1.085 -6.541 -8.267 1.00 0.40 C ATOM 35 C ALA A 3 0.439 -5.393 -7.505 1.00 0.33 C ATOM 36 O ALA A 3 0.798 -4.229 -7.701 1.00 0.37 O ATOM 37 CB ALA A 3 2.555 -6.658 -7.895 1.00 0.48 C ATOM 0 H ALA A 3 1.607 -5.706 -10.117 1.00 0.43 H new ATOM 0 HA ALA A 3 0.574 -7.463 -7.988 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.648 -6.792 -6.817 1.00 0.48 H new ATOM 0 HB2 ALA A 3 2.993 -7.515 -8.406 1.00 0.48 H new ATOM 0 HB3 ALA A 3 3.079 -5.751 -8.194 1.00 0.48 H new ATOM 43 N TYR A 4 -0.517 -5.720 -6.633 1.00 0.38 N ATOM 44 CA TYR A 4 -1.202 -4.696 -5.851 1.00 0.48 C ATOM 45 C TYR A 4 -0.344 -4.197 -4.702 1.00 0.46 C ATOM 46 O TYR A 4 -0.279 -4.828 -3.646 1.00 0.72 O ATOM 47 CB TYR A 4 -2.530 -5.198 -5.288 1.00 0.79 C ATOM 48 CG TYR A 4 -3.164 -4.211 -4.324 1.00 2.03 C ATOM 49 CD1 TYR A 4 -3.378 -2.888 -4.692 1.00 3.01 C ATOM 50 CD2 TYR A 4 -3.530 -4.601 -3.042 1.00 2.70 C ATOM 51 CE1 TYR A 4 -3.942 -1.984 -3.811 1.00 4.21 C ATOM 52 CE2 TYR A 4 -4.097 -3.703 -2.157 1.00 3.83 C ATOM 53 CZ TYR A 4 -4.301 -2.397 -2.546 1.00 4.50 C ATOM 54 OH TYR A 4 -4.861 -1.499 -1.667 1.00 5.73 O ATOM 0 H TYR A 4 -0.830 -6.674 -6.454 1.00 0.38 H new ATOM 0 HA TYR A 4 -1.395 -3.875 -6.541 1.00 0.48 H new ATOM 0 HB2 TYR A 4 -3.219 -5.392 -6.110 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -2.369 -6.147 -4.777 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -3.099 -2.561 -5.683 1.00 3.01 H new ATOM 0 HD2 TYR A 4 -3.369 -5.623 -2.731 1.00 2.70 H new ATOM 0 HE1 TYR A 4 -4.101 -0.959 -4.113 1.00 4.21 H new ATOM 0 HE2 TYR A 4 -4.379 -4.024 -1.165 1.00 3.83 H new ATOM 0 HH TYR A 4 -5.761 -1.799 -1.422 1.00 5.73 H new ATOM 64 N ILE A 5 0.288 -3.054 -4.933 1.00 0.40 N ATOM 65 CA ILE A 5 1.147 -2.390 -3.962 1.00 0.45 C ATOM 66 C ILE A 5 0.365 -1.325 -3.191 1.00 0.44 C ATOM 67 O ILE A 5 -0.237 -0.434 -3.788 1.00 0.57 O ATOM 68 CB ILE A 5 2.319 -1.703 -4.683 1.00 0.55 C ATOM 69 CG1 ILE A 5 2.746 -2.554 -5.883 1.00 0.52 C ATOM 70 CG2 ILE A 5 3.479 -1.474 -3.726 1.00 0.93 C ATOM 71 CD1 ILE A 5 3.922 -1.994 -6.645 1.00 0.79 C ATOM 0 H ILE A 5 0.216 -2.553 -5.818 1.00 0.40 H new ATOM 0 HA ILE A 5 1.519 -3.144 -3.269 1.00 0.45 H new ATOM 0 HB ILE A 5 1.999 -0.726 -5.044 1.00 0.55 H new ATOM 0 HG12 ILE A 5 2.996 -3.556 -5.534 1.00 0.52 H new ATOM 0 HG13 ILE A 5 1.900 -2.655 -6.563 1.00 0.52 H new ATOM 0 HG21 ILE A 5 4.297 -0.987 -4.256 1.00 0.93 H new ATOM 0 HG22 ILE A 5 3.152 -0.839 -2.903 1.00 0.93 H new ATOM 0 HG23 ILE A 5 3.820 -2.431 -3.332 1.00 0.93 H new ATOM 0 HD11 ILE A 5 4.163 -2.654 -7.479 1.00 0.79 H new ATOM 0 HD12 ILE A 5 3.671 -1.004 -7.026 1.00 0.79 H new ATOM 0 HD13 ILE A 5 4.783 -1.919 -5.981 1.00 0.79 H new ATOM 83 N ALA A 6 0.378 -1.415 -1.868 1.00 0.48 N ATOM 84 CA ALA A 6 -0.334 -0.449 -1.038 1.00 0.51 C ATOM 85 C ALA A 6 0.607 0.628 -0.511 1.00 0.46 C ATOM 86 O ALA A 6 1.426 0.366 0.370 1.00 0.58 O ATOM 87 CB ALA A 6 -1.025 -1.161 0.116 1.00 0.71 C ATOM 0 H ALA A 6 0.870 -2.142 -1.348 1.00 0.48 H new ATOM 0 HA ALA A 6 -1.087 0.040 -1.656 1.00 0.51 H new ATOM 0 HB1 ALA A 6 -1.554 -0.431 0.730 1.00 0.71 H new ATOM 0 HB2 ALA A 6 -1.736 -1.887 -0.278 1.00 0.71 H new ATOM 0 HB3 ALA A 6 -0.281 -1.675 0.724 1.00 0.71 H new ATOM 93 N ILE A 7 0.489 1.843 -1.048 1.00 0.44 N ATOM 94 CA ILE A 7 1.340 2.948 -0.613 1.00 0.43 C ATOM 95 C ILE A 7 0.691 3.713 0.533 1.00 0.49 C ATOM 96 O ILE A 7 -0.514 3.969 0.514 1.00 0.58 O ATOM 97 CB ILE A 7 1.648 3.923 -1.769 1.00 0.47 C ATOM 98 CG1 ILE A 7 2.409 3.200 -2.884 1.00 1.19 C ATOM 99 CG2 ILE A 7 2.448 5.116 -1.261 1.00 1.41 C ATOM 100 CD1 ILE A 7 2.780 4.094 -4.048 1.00 1.42 C ATOM 0 H ILE A 7 -0.181 2.084 -1.778 1.00 0.44 H new ATOM 0 HA ILE A 7 2.278 2.510 -0.272 1.00 0.43 H new ATOM 0 HB ILE A 7 0.706 4.291 -2.175 1.00 0.47 H new ATOM 0 HG12 ILE A 7 3.318 2.765 -2.468 1.00 1.19 H new ATOM 0 HG13 ILE A 7 1.799 2.375 -3.252 1.00 1.19 H new ATOM 0 HG21 ILE A 7 2.657 5.793 -2.089 1.00 1.41 H new ATOM 0 HG22 ILE A 7 1.873 5.641 -0.498 1.00 1.41 H new ATOM 0 HG23 ILE A 7 3.387 4.768 -0.832 1.00 1.41 H new ATOM 0 HD11 ILE A 7 3.316 3.512 -4.797 1.00 1.42 H new ATOM 0 HD12 ILE A 7 1.875 4.509 -4.491 1.00 1.42 H new ATOM 0 HD13 ILE A 7 3.417 4.905 -3.695 1.00 1.42 H new ATOM 112 N GLY A 8 1.491 4.067 1.535 1.00 0.57 N ATOM 113 CA GLY A 8 0.962 4.789 2.673 1.00 0.69 C ATOM 114 C GLY A 8 1.940 5.780 3.273 1.00 0.68 C ATOM 115 O GLY A 8 3.117 5.477 3.454 1.00 0.77 O ATOM 0 H GLY A 8 2.490 3.867 1.577 1.00 0.57 H new ATOM 0 HA2 GLY A 8 0.061 5.321 2.368 1.00 0.69 H new ATOM 0 HA3 GLY A 8 0.666 4.074 3.440 1.00 0.69 H new ATOM 119 N SER A 9 1.433 6.966 3.596 1.00 0.70 N ATOM 120 CA SER A 9 2.239 8.023 4.197 1.00 0.75 C ATOM 121 C SER A 9 1.424 8.734 5.277 1.00 0.87 C ATOM 122 O SER A 9 0.217 8.518 5.380 1.00 0.92 O ATOM 123 CB SER A 9 2.693 9.013 3.124 1.00 0.76 C ATOM 124 OG SER A 9 3.510 8.375 2.157 1.00 1.67 O ATOM 0 H SER A 9 0.456 7.221 3.449 1.00 0.70 H new ATOM 0 HA SER A 9 3.126 7.586 4.655 1.00 0.75 H new ATOM 0 HB2 SER A 9 1.822 9.452 2.637 1.00 0.76 H new ATOM 0 HB3 SER A 9 3.244 9.831 3.588 1.00 0.76 H new ATOM 0 HG SER A 9 4.398 8.209 2.537 1.00 1.67 H new ATOM 130 N ASN A 10 2.075 9.574 6.086 1.00 1.03 N ATOM 131 CA ASN A 10 1.370 10.288 7.155 1.00 1.23 C ATOM 132 C ASN A 10 2.302 11.197 7.954 1.00 1.30 C ATOM 133 O ASN A 10 2.992 10.747 8.869 1.00 2.00 O ATOM 134 CB ASN A 10 0.695 9.294 8.104 1.00 1.55 C ATOM 135 CG ASN A 10 1.670 8.289 8.683 1.00 2.18 C ATOM 136 OD1 ASN A 10 2.303 7.526 7.952 1.00 2.66 O ATOM 137 ND2 ASN A 10 1.800 8.284 10.005 1.00 3.02 N ATOM 0 H ASN A 10 3.073 9.775 6.024 1.00 1.03 H new ATOM 0 HA ASN A 10 0.617 10.914 6.676 1.00 1.23 H new ATOM 0 HB2 ASN A 10 0.216 9.841 8.917 1.00 1.55 H new ATOM 0 HB3 ASN A 10 -0.093 8.764 7.569 1.00 1.55 H new ATOM 0 HD21 ASN A 10 2.444 7.631 10.452 1.00 3.02 H new ATOM 0 HD22 ASN A 10 1.256 8.933 10.573 1.00 3.02 H new ATOM 144 N LEU A 11 2.301 12.483 7.610 1.00 1.21 N ATOM 145 CA LEU A 11 3.130 13.469 8.297 1.00 1.31 C ATOM 146 C LEU A 11 2.919 14.856 7.698 1.00 1.49 C ATOM 147 O LEU A 11 2.140 15.019 6.762 1.00 1.96 O ATOM 148 CB LEU A 11 4.621 13.072 8.262 1.00 1.36 C ATOM 149 CG LEU A 11 5.296 12.958 6.879 1.00 1.66 C ATOM 150 CD1 LEU A 11 4.530 12.030 5.950 1.00 2.11 C ATOM 151 CD2 LEU A 11 5.478 14.326 6.240 1.00 2.45 C ATOM 0 H LEU A 11 1.732 12.867 6.856 1.00 1.21 H new ATOM 0 HA LEU A 11 2.823 13.497 9.343 1.00 1.31 H new ATOM 0 HB2 LEU A 11 5.177 13.803 8.849 1.00 1.36 H new ATOM 0 HB3 LEU A 11 4.725 12.112 8.767 1.00 1.36 H new ATOM 0 HG LEU A 11 6.282 12.522 7.041 1.00 1.66 H new ATOM 0 HD11 LEU A 11 5.039 11.978 4.987 1.00 2.11 H new ATOM 0 HD12 LEU A 11 4.482 11.034 6.390 1.00 2.11 H new ATOM 0 HD13 LEU A 11 3.519 12.412 5.806 1.00 2.11 H new ATOM 0 HD21 LEU A 11 5.956 14.212 5.267 1.00 2.45 H new ATOM 0 HD22 LEU A 11 4.505 14.801 6.113 1.00 2.45 H new ATOM 0 HD23 LEU A 11 6.104 14.947 6.881 1.00 2.45 H new ATOM 163 N ALA A 12 3.617 15.852 8.241 1.00 1.57 N ATOM 164 CA ALA A 12 3.500 17.221 7.747 1.00 1.79 C ATOM 165 C ALA A 12 3.760 17.272 6.247 1.00 1.71 C ATOM 166 O ALA A 12 4.909 17.218 5.805 1.00 2.29 O ATOM 167 CB ALA A 12 4.466 18.136 8.485 1.00 2.08 C ATOM 0 H ALA A 12 4.266 15.737 9.019 1.00 1.57 H new ATOM 0 HA ALA A 12 2.484 17.568 7.932 1.00 1.79 H new ATOM 0 HB1 ALA A 12 4.366 19.153 8.105 1.00 2.08 H new ATOM 0 HB2 ALA A 12 4.237 18.123 9.551 1.00 2.08 H new ATOM 0 HB3 ALA A 12 5.487 17.789 8.329 1.00 2.08 H new ATOM 173 N SER A 13 2.685 17.354 5.466 1.00 1.54 N ATOM 174 CA SER A 13 2.796 17.385 4.011 1.00 1.42 C ATOM 175 C SER A 13 3.406 16.077 3.513 1.00 1.10 C ATOM 176 O SER A 13 4.581 16.027 3.148 1.00 1.17 O ATOM 177 CB SER A 13 3.643 18.575 3.555 1.00 1.72 C ATOM 178 OG SER A 13 3.062 19.801 3.962 1.00 2.45 O ATOM 0 H SER A 13 1.728 17.400 5.817 1.00 1.54 H new ATOM 0 HA SER A 13 1.798 17.499 3.587 1.00 1.42 H new ATOM 0 HB2 SER A 13 4.648 18.490 3.969 1.00 1.72 H new ATOM 0 HB3 SER A 13 3.743 18.559 2.470 1.00 1.72 H new ATOM 0 HG SER A 13 3.623 20.545 3.660 1.00 2.45 H new ATOM 184 N PRO A 14 2.611 14.991 3.505 1.00 0.96 N ATOM 185 CA PRO A 14 3.074 13.672 3.068 1.00 0.92 C ATOM 186 C PRO A 14 3.164 13.555 1.553 1.00 0.86 C ATOM 187 O PRO A 14 3.525 12.507 1.026 1.00 0.90 O ATOM 188 CB PRO A 14 2.004 12.730 3.614 1.00 1.18 C ATOM 189 CG PRO A 14 0.762 13.551 3.638 1.00 1.23 C ATOM 190 CD PRO A 14 1.197 14.962 3.936 1.00 1.14 C ATOM 0 HA PRO A 14 4.081 13.455 3.425 1.00 0.92 H new ATOM 0 HB2 PRO A 14 1.887 11.852 2.979 1.00 1.18 H new ATOM 0 HB3 PRO A 14 2.262 12.371 4.610 1.00 1.18 H new ATOM 0 HG2 PRO A 14 0.242 13.498 2.682 1.00 1.23 H new ATOM 0 HG3 PRO A 14 0.070 13.188 4.398 1.00 1.23 H new ATOM 0 HD2 PRO A 14 0.597 15.690 3.390 1.00 1.14 H new ATOM 0 HD3 PRO A 14 1.096 15.197 4.996 1.00 1.14 H new ATOM 198 N LEU A 15 2.833 14.636 0.858 1.00 0.89 N ATOM 199 CA LEU A 15 2.878 14.649 -0.599 1.00 0.90 C ATOM 200 C LEU A 15 4.277 14.302 -1.100 1.00 0.84 C ATOM 201 O LEU A 15 4.434 13.630 -2.119 1.00 0.84 O ATOM 202 CB LEU A 15 2.458 16.022 -1.130 1.00 1.07 C ATOM 203 CG LEU A 15 2.432 16.153 -2.656 1.00 1.33 C ATOM 204 CD1 LEU A 15 1.391 15.222 -3.260 1.00 1.67 C ATOM 205 CD2 LEU A 15 2.156 17.594 -3.058 1.00 1.72 C ATOM 0 H LEU A 15 2.531 15.514 1.279 1.00 0.89 H new ATOM 0 HA LEU A 15 2.181 13.896 -0.968 1.00 0.90 H new ATOM 0 HB2 LEU A 15 1.465 16.254 -0.745 1.00 1.07 H new ATOM 0 HB3 LEU A 15 3.139 16.772 -0.729 1.00 1.07 H new ATOM 0 HG LEU A 15 3.410 15.865 -3.042 1.00 1.33 H new ATOM 0 HD11 LEU A 15 1.390 15.332 -4.344 1.00 1.67 H new ATOM 0 HD12 LEU A 15 1.630 14.191 -3.000 1.00 1.67 H new ATOM 0 HD13 LEU A 15 0.406 15.475 -2.869 1.00 1.67 H new ATOM 0 HD21 LEU A 15 2.140 17.672 -4.145 1.00 1.72 H new ATOM 0 HD22 LEU A 15 1.191 17.905 -2.658 1.00 1.72 H new ATOM 0 HD23 LEU A 15 2.939 18.239 -2.659 1.00 1.72 H new ATOM 217 N GLU A 16 5.289 14.771 -0.378 1.00 0.86 N ATOM 218 CA GLU A 16 6.678 14.520 -0.748 1.00 0.88 C ATOM 219 C GLU A 16 7.085 13.077 -0.455 1.00 0.76 C ATOM 220 O GLU A 16 7.864 12.483 -1.200 1.00 0.75 O ATOM 221 CB GLU A 16 7.604 15.482 -0.004 1.00 1.05 C ATOM 222 CG GLU A 16 7.322 16.947 -0.294 1.00 1.40 C ATOM 223 CD GLU A 16 7.478 17.292 -1.761 1.00 1.82 C ATOM 224 OE1 GLU A 16 8.591 17.112 -2.299 1.00 2.49 O ATOM 225 OE2 GLU A 16 6.487 17.742 -2.375 1.00 2.16 O ATOM 0 H GLU A 16 5.173 15.328 0.469 1.00 0.86 H new ATOM 0 HA GLU A 16 6.770 14.685 -1.822 1.00 0.88 H new ATOM 0 HB2 GLU A 16 7.509 15.308 1.068 1.00 1.05 H new ATOM 0 HB3 GLU A 16 8.637 15.260 -0.273 1.00 1.05 H new ATOM 0 HG2 GLU A 16 6.308 17.188 0.026 1.00 1.40 H new ATOM 0 HG3 GLU A 16 7.998 17.567 0.295 1.00 1.40 H new ATOM 232 N GLN A 17 6.564 12.521 0.636 1.00 0.73 N ATOM 233 CA GLN A 17 6.889 11.151 1.016 1.00 0.71 C ATOM 234 C GLN A 17 6.211 10.153 0.079 1.00 0.57 C ATOM 235 O GLN A 17 6.832 9.189 -0.377 1.00 0.51 O ATOM 236 CB GLN A 17 6.473 10.900 2.465 1.00 0.86 C ATOM 237 CG GLN A 17 6.977 11.961 3.433 1.00 1.20 C ATOM 238 CD GLN A 17 8.495 12.016 3.537 1.00 1.35 C ATOM 239 OE1 GLN A 17 9.181 11.066 2.907 1.00 2.20 O flip ATOM 240 NE2 GLN A 17 9.047 12.900 4.194 1.00 1.36 N flip ATOM 0 H GLN A 17 5.919 12.995 1.268 1.00 0.73 H new ATOM 0 HA GLN A 17 7.967 11.011 0.931 1.00 0.71 H new ATOM 0 HB2 GLN A 17 5.385 10.856 2.520 1.00 0.86 H new ATOM 0 HB3 GLN A 17 6.848 9.926 2.779 1.00 0.86 H new ATOM 0 HG2 GLN A 17 6.607 12.936 3.116 1.00 1.20 H new ATOM 0 HG3 GLN A 17 6.560 11.768 4.421 1.00 1.20 H new ATOM 0 HE21 GLN A 17 8.487 13.612 4.663 1.00 1.36 H new ATOM 0 HE22 GLN A 17 10.064 12.920 4.269 1.00 1.36 H new ATOM 249 N VAL A 18 4.943 10.405 -0.226 1.00 0.57 N ATOM 250 CA VAL A 18 4.201 9.541 -1.133 1.00 0.53 C ATOM 251 C VAL A 18 4.926 9.465 -2.469 1.00 0.49 C ATOM 252 O VAL A 18 4.927 8.430 -3.135 1.00 0.51 O ATOM 253 CB VAL A 18 2.766 10.052 -1.364 1.00 0.62 C ATOM 254 CG1 VAL A 18 2.026 9.158 -2.349 1.00 1.10 C ATOM 255 CG2 VAL A 18 2.011 10.135 -0.047 1.00 1.25 C ATOM 0 H VAL A 18 4.411 11.195 0.139 1.00 0.57 H new ATOM 0 HA VAL A 18 4.139 8.553 -0.676 1.00 0.53 H new ATOM 0 HB VAL A 18 2.825 11.053 -1.791 1.00 0.62 H new ATOM 0 HG11 VAL A 18 1.015 9.538 -2.497 1.00 1.10 H new ATOM 0 HG12 VAL A 18 2.554 9.152 -3.302 1.00 1.10 H new ATOM 0 HG13 VAL A 18 1.978 8.143 -1.954 1.00 1.10 H new ATOM 0 HG21 VAL A 18 1.000 10.498 -0.230 1.00 1.25 H new ATOM 0 HG22 VAL A 18 1.965 9.146 0.409 1.00 1.25 H new ATOM 0 HG23 VAL A 18 2.526 10.821 0.625 1.00 1.25 H new ATOM 265 N ASN A 19 5.561 10.574 -2.840 1.00 0.52 N ATOM 266 CA ASN A 19 6.313 10.647 -4.082 1.00 0.57 C ATOM 267 C ASN A 19 7.603 9.845 -3.965 1.00 0.50 C ATOM 268 O ASN A 19 8.124 9.351 -4.958 1.00 0.52 O ATOM 269 CB ASN A 19 6.629 12.102 -4.439 1.00 0.72 C ATOM 270 CG ASN A 19 5.384 12.929 -4.717 1.00 1.26 C ATOM 271 OD1 ASN A 19 4.211 12.305 -4.629 1.00 1.96 O flip ATOM 272 ND2 ASN A 19 5.475 14.121 -5.007 1.00 1.71 N flip ATOM 0 H ASN A 19 5.567 11.435 -2.294 1.00 0.52 H new ATOM 0 HA ASN A 19 5.702 10.221 -4.878 1.00 0.57 H new ATOM 0 HB2 ASN A 19 7.186 12.558 -3.621 1.00 0.72 H new ATOM 0 HB3 ASN A 19 7.276 12.123 -5.316 1.00 0.72 H new ATOM 0 HD21 ASN A 19 6.392 14.563 -5.064 1.00 1.71 H new ATOM 0 HD22 ASN A 19 4.633 14.667 -5.190 1.00 1.71 H new ATOM 279 N ALA A 20 8.107 9.715 -2.738 1.00 0.49 N ATOM 280 CA ALA A 20 9.333 8.963 -2.486 1.00 0.49 C ATOM 281 C ALA A 20 9.219 7.544 -3.026 1.00 0.42 C ATOM 282 O ALA A 20 10.077 7.080 -3.781 1.00 0.48 O ATOM 283 CB ALA A 20 9.636 8.934 -0.997 1.00 0.57 C ATOM 0 H ALA A 20 7.684 10.121 -1.904 1.00 0.49 H new ATOM 0 HA ALA A 20 10.152 9.462 -3.004 1.00 0.49 H new ATOM 0 HB1 ALA A 20 10.553 8.370 -0.823 1.00 0.57 H new ATOM 0 HB2 ALA A 20 9.762 9.953 -0.631 1.00 0.57 H new ATOM 0 HB3 ALA A 20 8.811 8.458 -0.467 1.00 0.57 H new ATOM 289 N ALA A 21 8.138 6.869 -2.653 1.00 0.41 N ATOM 290 CA ALA A 21 7.903 5.508 -3.118 1.00 0.45 C ATOM 291 C ALA A 21 7.513 5.545 -4.584 1.00 0.36 C ATOM 292 O ALA A 21 7.792 4.625 -5.346 1.00 0.40 O ATOM 293 CB ALA A 21 6.806 4.839 -2.306 1.00 0.64 C ATOM 0 H ALA A 21 7.416 7.238 -2.035 1.00 0.41 H new ATOM 0 HA ALA A 21 8.817 4.928 -2.992 1.00 0.45 H new ATOM 0 HB1 ALA A 21 6.649 3.824 -2.672 1.00 0.64 H new ATOM 0 HB2 ALA A 21 7.099 4.805 -1.257 1.00 0.64 H new ATOM 0 HB3 ALA A 21 5.881 5.407 -2.406 1.00 0.64 H new ATOM 299 N LEU A 22 6.864 6.641 -4.958 1.00 0.40 N ATOM 300 CA LEU A 22 6.417 6.856 -6.323 1.00 0.47 C ATOM 301 C LEU A 22 7.607 7.001 -7.274 1.00 0.44 C ATOM 302 O LEU A 22 7.532 6.607 -8.438 1.00 0.53 O ATOM 303 CB LEU A 22 5.520 8.100 -6.368 1.00 0.64 C ATOM 304 CG LEU A 22 5.570 8.905 -7.663 1.00 1.16 C ATOM 305 CD1 LEU A 22 5.004 8.103 -8.826 1.00 1.74 C ATOM 306 CD2 LEU A 22 4.820 10.220 -7.505 1.00 1.73 C ATOM 0 H LEU A 22 6.634 7.404 -4.321 1.00 0.40 H new ATOM 0 HA LEU A 22 5.844 5.990 -6.654 1.00 0.47 H new ATOM 0 HB2 LEU A 22 4.490 7.789 -6.195 1.00 0.64 H new ATOM 0 HB3 LEU A 22 5.798 8.756 -5.543 1.00 0.64 H new ATOM 0 HG LEU A 22 6.614 9.127 -7.882 1.00 1.16 H new ATOM 0 HD11 LEU A 22 5.051 8.700 -9.737 1.00 1.74 H new ATOM 0 HD12 LEU A 22 5.588 7.192 -8.958 1.00 1.74 H new ATOM 0 HD13 LEU A 22 3.967 7.842 -8.617 1.00 1.74 H new ATOM 0 HD21 LEU A 22 4.867 10.780 -8.439 1.00 1.73 H new ATOM 0 HD22 LEU A 22 3.779 10.017 -7.255 1.00 1.73 H new ATOM 0 HD23 LEU A 22 5.277 10.806 -6.707 1.00 1.73 H new ATOM 318 N LYS A 23 8.707 7.557 -6.772 1.00 0.43 N ATOM 319 CA LYS A 23 9.906 7.737 -7.581 1.00 0.52 C ATOM 320 C LYS A 23 10.518 6.387 -7.923 1.00 0.47 C ATOM 321 O LYS A 23 10.757 6.080 -9.091 1.00 0.56 O ATOM 322 CB LYS A 23 10.933 8.604 -6.848 1.00 0.61 C ATOM 323 CG LYS A 23 10.483 10.041 -6.637 1.00 1.13 C ATOM 324 CD LYS A 23 11.525 10.843 -5.874 1.00 1.51 C ATOM 325 CE LYS A 23 11.068 12.275 -5.643 1.00 2.12 C ATOM 326 NZ LYS A 23 9.803 12.339 -4.863 1.00 2.74 N ATOM 0 H LYS A 23 8.791 7.889 -5.811 1.00 0.43 H new ATOM 0 HA LYS A 23 9.620 8.244 -8.503 1.00 0.52 H new ATOM 0 HB2 LYS A 23 11.149 8.154 -5.879 1.00 0.61 H new ATOM 0 HB3 LYS A 23 11.865 8.604 -7.414 1.00 0.61 H new ATOM 0 HG2 LYS A 23 10.296 10.511 -7.603 1.00 1.13 H new ATOM 0 HG3 LYS A 23 9.541 10.052 -6.089 1.00 1.13 H new ATOM 0 HD2 LYS A 23 11.723 10.364 -4.915 1.00 1.51 H new ATOM 0 HD3 LYS A 23 12.463 10.845 -6.430 1.00 1.51 H new ATOM 0 HE2 LYS A 23 11.848 12.823 -5.114 1.00 2.12 H new ATOM 0 HE3 LYS A 23 10.926 12.770 -6.604 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 9.037 12.693 -5.472 1.00 2.74 H new ATOM 0 HZ2 LYS A 23 9.560 11.389 -4.518 1.00 2.74 H new ATOM 0 HZ3 LYS A 23 9.926 12.980 -4.054 1.00 2.74 H new ATOM 340 N ALA A 24 10.761 5.579 -6.896 1.00 0.40 N ATOM 341 CA ALA A 24 11.333 4.255 -7.092 1.00 0.43 C ATOM 342 C ALA A 24 10.349 3.350 -7.814 1.00 0.38 C ATOM 343 O ALA A 24 10.658 2.820 -8.878 1.00 0.46 O ATOM 344 CB ALA A 24 11.737 3.651 -5.757 1.00 0.51 C ATOM 0 H ALA A 24 10.571 5.818 -5.923 1.00 0.40 H new ATOM 0 HA ALA A 24 12.225 4.351 -7.711 1.00 0.43 H new ATOM 0 HB1 ALA A 24 12.163 2.661 -5.920 1.00 0.51 H new ATOM 0 HB2 ALA A 24 12.478 4.291 -5.278 1.00 0.51 H new ATOM 0 HB3 ALA A 24 10.860 3.568 -5.115 1.00 0.51 H new ATOM 350 N LEU A 25 9.162 3.186 -7.238 1.00 0.43 N ATOM 351 CA LEU A 25 8.136 2.349 -7.845 1.00 0.40 C ATOM 352 C LEU A 25 7.915 2.768 -9.293 1.00 0.37 C ATOM 353 O LEU A 25 7.694 1.932 -10.167 1.00 0.45 O ATOM 354 CB LEU A 25 6.819 2.436 -7.067 1.00 0.47 C ATOM 355 CG LEU A 25 5.825 1.316 -7.366 1.00 0.56 C ATOM 356 CD1 LEU A 25 6.451 -0.035 -7.067 1.00 0.96 C ATOM 357 CD2 LEU A 25 4.550 1.508 -6.558 1.00 1.04 C ATOM 0 H LEU A 25 8.889 3.620 -6.356 1.00 0.43 H new ATOM 0 HA LEU A 25 8.479 1.315 -7.815 1.00 0.40 H new ATOM 0 HB2 LEU A 25 7.042 2.430 -6.000 1.00 0.47 H new ATOM 0 HB3 LEU A 25 6.345 3.392 -7.288 1.00 0.47 H new ATOM 0 HG LEU A 25 5.567 1.350 -8.424 1.00 0.56 H new ATOM 0 HD11 LEU A 25 5.732 -0.825 -7.284 1.00 0.96 H new ATOM 0 HD12 LEU A 25 7.337 -0.170 -7.687 1.00 0.96 H new ATOM 0 HD13 LEU A 25 6.733 -0.080 -6.015 1.00 0.96 H new ATOM 0 HD21 LEU A 25 3.852 0.702 -6.783 1.00 1.04 H new ATOM 0 HD22 LEU A 25 4.788 1.496 -5.494 1.00 1.04 H new ATOM 0 HD23 LEU A 25 4.095 2.464 -6.817 1.00 1.04 H new ATOM 369 N GLY A 26 7.999 4.074 -9.539 1.00 0.43 N ATOM 370 CA GLY A 26 7.831 4.582 -10.884 1.00 0.53 C ATOM 371 C GLY A 26 8.815 3.937 -11.836 1.00 0.56 C ATOM 372 O GLY A 26 8.460 3.574 -12.958 1.00 0.82 O ATOM 0 H GLY A 26 8.180 4.785 -8.830 1.00 0.43 H new ATOM 0 HA2 GLY A 26 6.813 4.391 -11.224 1.00 0.53 H new ATOM 0 HA3 GLY A 26 7.971 5.663 -10.888 1.00 0.53 H new ATOM 376 N ASP A 27 10.052 3.774 -11.373 1.00 0.59 N ATOM 377 CA ASP A 27 11.087 3.146 -12.177 1.00 0.76 C ATOM 378 C ASP A 27 11.796 2.051 -11.383 1.00 0.56 C ATOM 379 O ASP A 27 12.663 2.324 -10.551 1.00 0.81 O ATOM 380 CB ASP A 27 12.095 4.192 -12.653 1.00 1.35 C ATOM 381 CG ASP A 27 13.134 3.617 -13.600 1.00 2.02 C ATOM 382 OD1 ASP A 27 13.054 2.409 -13.903 1.00 2.42 O ATOM 383 OD2 ASP A 27 14.030 4.374 -14.035 1.00 2.61 O ATOM 0 H ASP A 27 10.358 4.069 -10.446 1.00 0.59 H new ATOM 0 HA ASP A 27 10.617 2.689 -13.048 1.00 0.76 H new ATOM 0 HB2 ASP A 27 11.563 5.002 -13.152 1.00 1.35 H new ATOM 0 HB3 ASP A 27 12.598 4.626 -11.789 1.00 1.35 H new ATOM 388 N ILE A 28 11.420 0.813 -11.668 1.00 0.51 N ATOM 389 CA ILE A 28 11.995 -0.360 -11.020 1.00 0.51 C ATOM 390 C ILE A 28 12.827 -1.138 -12.028 1.00 0.49 C ATOM 391 O ILE A 28 12.480 -1.168 -13.209 1.00 0.48 O ATOM 392 CB ILE A 28 10.882 -1.294 -10.492 1.00 0.71 C ATOM 393 CG1 ILE A 28 9.889 -0.523 -9.619 1.00 0.82 C ATOM 394 CG2 ILE A 28 11.454 -2.473 -9.720 1.00 0.83 C ATOM 395 CD1 ILE A 28 10.467 -0.072 -8.293 1.00 1.26 C ATOM 0 H ILE A 28 10.703 0.591 -12.359 1.00 0.51 H new ATOM 0 HA ILE A 28 12.612 -0.022 -10.188 1.00 0.51 H new ATOM 0 HB ILE A 28 10.354 -1.687 -11.361 1.00 0.71 H new ATOM 0 HG12 ILE A 28 9.538 0.351 -10.168 1.00 0.82 H new ATOM 0 HG13 ILE A 28 9.019 -1.152 -9.431 1.00 0.82 H new ATOM 0 HG21 ILE A 28 10.640 -3.105 -9.366 1.00 0.83 H new ATOM 0 HG22 ILE A 28 12.106 -3.053 -10.373 1.00 0.83 H new ATOM 0 HG23 ILE A 28 12.026 -2.107 -8.868 1.00 0.83 H new ATOM 0 HD11 ILE A 28 9.706 0.467 -7.729 1.00 1.26 H new ATOM 0 HD12 ILE A 28 10.792 -0.942 -7.723 1.00 1.26 H new ATOM 0 HD13 ILE A 28 11.319 0.584 -8.472 1.00 1.26 H new ATOM 407 N PRO A 29 13.921 -1.787 -11.588 1.00 0.68 N ATOM 408 CA PRO A 29 14.785 -2.582 -12.449 1.00 0.83 C ATOM 409 C PRO A 29 14.093 -3.108 -13.710 1.00 0.70 C ATOM 410 O PRO A 29 14.627 -2.987 -14.812 1.00 0.88 O ATOM 411 CB PRO A 29 15.136 -3.721 -11.511 1.00 1.07 C ATOM 412 CG PRO A 29 15.294 -3.061 -10.177 1.00 1.14 C ATOM 413 CD PRO A 29 14.425 -1.822 -10.198 1.00 0.87 C ATOM 0 HA PRO A 29 15.626 -2.015 -12.848 1.00 0.83 H new ATOM 0 HB2 PRO A 29 14.351 -4.477 -11.491 1.00 1.07 H new ATOM 0 HB3 PRO A 29 16.054 -4.222 -11.819 1.00 1.07 H new ATOM 0 HG2 PRO A 29 14.990 -3.733 -9.374 1.00 1.14 H new ATOM 0 HG3 PRO A 29 16.337 -2.799 -9.996 1.00 1.14 H new ATOM 0 HD2 PRO A 29 13.611 -1.889 -9.476 1.00 0.87 H new ATOM 0 HD3 PRO A 29 14.995 -0.926 -9.954 1.00 0.87 H new ATOM 421 N GLU A 30 12.907 -3.694 -13.543 1.00 0.54 N ATOM 422 CA GLU A 30 12.159 -4.236 -14.677 1.00 0.58 C ATOM 423 C GLU A 30 10.651 -4.047 -14.506 1.00 0.60 C ATOM 424 O GLU A 30 9.873 -4.373 -15.402 1.00 1.01 O ATOM 425 CB GLU A 30 12.473 -5.724 -14.858 1.00 0.62 C ATOM 426 CG GLU A 30 13.935 -6.010 -15.158 1.00 0.63 C ATOM 427 CD GLU A 30 14.212 -7.489 -15.339 1.00 1.39 C ATOM 428 OE1 GLU A 30 13.616 -8.099 -16.251 1.00 1.66 O ATOM 429 OE2 GLU A 30 15.028 -8.039 -14.568 1.00 2.35 O ATOM 0 H GLU A 30 12.446 -3.805 -12.640 1.00 0.54 H new ATOM 0 HA GLU A 30 12.470 -3.685 -15.564 1.00 0.58 H new ATOM 0 HB2 GLU A 30 12.186 -6.259 -13.953 1.00 0.62 H new ATOM 0 HB3 GLU A 30 11.861 -6.119 -15.669 1.00 0.62 H new ATOM 0 HG2 GLU A 30 14.228 -5.476 -16.062 1.00 0.63 H new ATOM 0 HG3 GLU A 30 14.551 -5.625 -14.346 1.00 0.63 H new ATOM 436 N SER A 31 10.241 -3.534 -13.349 1.00 0.36 N ATOM 437 CA SER A 31 8.821 -3.320 -13.067 1.00 0.34 C ATOM 438 C SER A 31 8.335 -1.972 -13.602 1.00 0.36 C ATOM 439 O SER A 31 9.125 -1.175 -14.112 1.00 0.46 O ATOM 440 CB SER A 31 8.573 -3.399 -11.563 1.00 0.37 C ATOM 441 OG SER A 31 9.126 -4.583 -11.016 1.00 0.83 O ATOM 0 H SER A 31 10.868 -3.259 -12.593 1.00 0.36 H new ATOM 0 HA SER A 31 8.259 -4.104 -13.575 1.00 0.34 H new ATOM 0 HB2 SER A 31 9.011 -2.529 -11.073 1.00 0.37 H new ATOM 0 HB3 SER A 31 7.501 -3.370 -11.366 1.00 0.37 H new ATOM 0 HG SER A 31 10.104 -4.519 -11.018 1.00 0.83 H new ATOM 447 N HIS A 32 7.026 -1.721 -13.480 1.00 0.33 N ATOM 448 CA HIS A 32 6.436 -0.466 -13.952 1.00 0.39 C ATOM 449 C HIS A 32 5.001 -0.292 -13.452 1.00 0.34 C ATOM 450 O HIS A 32 4.225 -1.246 -13.414 1.00 0.36 O ATOM 451 CB HIS A 32 6.463 -0.409 -15.480 1.00 0.51 C ATOM 452 CG HIS A 32 5.798 0.804 -16.053 1.00 0.94 C ATOM 453 ND1 HIS A 32 6.204 2.092 -15.768 1.00 1.83 N ATOM 454 CD2 HIS A 32 4.749 0.924 -16.903 1.00 1.60 C ATOM 455 CE1 HIS A 32 5.435 2.949 -16.417 1.00 2.29 C ATOM 456 NE2 HIS A 32 4.546 2.265 -17.112 1.00 2.07 N ATOM 0 H HIS A 32 6.359 -2.368 -13.060 1.00 0.33 H new ATOM 0 HA HIS A 32 7.035 0.350 -13.547 1.00 0.39 H new ATOM 0 HB2 HIS A 32 7.499 -0.437 -15.817 1.00 0.51 H new ATOM 0 HB3 HIS A 32 5.975 -1.300 -15.876 1.00 0.51 H new ATOM 0 HD2 HIS A 32 4.179 0.115 -17.335 1.00 1.60 H new ATOM 0 HE1 HIS A 32 5.520 4.025 -16.384 1.00 2.29 H new ATOM 0 HE2 HIS A 32 3.824 2.668 -17.709 1.00 2.07 H new ATOM 465 N ILE A 33 4.661 0.940 -13.078 1.00 0.36 N ATOM 466 CA ILE A 33 3.325 1.270 -12.583 1.00 0.36 C ATOM 467 C ILE A 33 2.241 0.922 -13.607 1.00 0.38 C ATOM 468 O ILE A 33 2.486 0.942 -14.814 1.00 0.50 O ATOM 469 CB ILE A 33 3.234 2.773 -12.233 1.00 0.53 C ATOM 470 CG1 ILE A 33 4.077 3.084 -10.995 1.00 0.58 C ATOM 471 CG2 ILE A 33 1.789 3.204 -12.019 1.00 0.93 C ATOM 472 CD1 ILE A 33 3.653 2.319 -9.761 1.00 1.05 C ATOM 0 H ILE A 33 5.300 1.734 -13.109 1.00 0.36 H new ATOM 0 HA ILE A 33 3.156 0.674 -11.686 1.00 0.36 H new ATOM 0 HB ILE A 33 3.629 3.339 -13.076 1.00 0.53 H new ATOM 0 HG12 ILE A 33 5.121 2.857 -11.211 1.00 0.58 H new ATOM 0 HG13 ILE A 33 4.020 4.152 -10.787 1.00 0.58 H new ATOM 0 HG21 ILE A 33 1.758 4.266 -11.774 1.00 0.93 H new ATOM 0 HG22 ILE A 33 1.217 3.025 -12.930 1.00 0.93 H new ATOM 0 HG23 ILE A 33 1.356 2.630 -11.200 1.00 0.93 H new ATOM 0 HD11 ILE A 33 4.297 2.592 -8.925 1.00 1.05 H new ATOM 0 HD12 ILE A 33 2.619 2.564 -9.518 1.00 1.05 H new ATOM 0 HD13 ILE A 33 3.737 1.249 -9.949 1.00 1.05 H new ATOM 484 N LEU A 34 1.040 0.611 -13.116 1.00 0.38 N ATOM 485 CA LEU A 34 -0.082 0.268 -13.986 1.00 0.50 C ATOM 486 C LEU A 34 -1.352 1.003 -13.545 1.00 0.46 C ATOM 487 O LEU A 34 -1.911 1.798 -14.301 1.00 0.60 O ATOM 488 CB LEU A 34 -0.306 -1.251 -13.981 1.00 0.65 C ATOM 489 CG LEU A 34 -1.158 -1.812 -15.132 1.00 1.01 C ATOM 490 CD1 LEU A 34 -2.598 -1.337 -15.035 1.00 1.69 C ATOM 491 CD2 LEU A 34 -0.559 -1.427 -16.476 1.00 1.34 C ATOM 0 H LEU A 34 0.821 0.590 -12.120 1.00 0.38 H new ATOM 0 HA LEU A 34 0.155 0.583 -15.002 1.00 0.50 H new ATOM 0 HB2 LEU A 34 0.667 -1.742 -14.004 1.00 0.65 H new ATOM 0 HB3 LEU A 34 -0.779 -1.525 -13.038 1.00 0.65 H new ATOM 0 HG LEU A 34 -1.158 -2.899 -15.049 1.00 1.01 H new ATOM 0 HD11 LEU A 34 -3.174 -1.751 -15.863 1.00 1.69 H new ATOM 0 HD12 LEU A 34 -3.028 -1.671 -14.091 1.00 1.69 H new ATOM 0 HD13 LEU A 34 -2.626 -0.248 -15.082 1.00 1.69 H new ATOM 0 HD21 LEU A 34 -1.175 -1.833 -17.279 1.00 1.34 H new ATOM 0 HD22 LEU A 34 -0.522 -0.341 -16.560 1.00 1.34 H new ATOM 0 HD23 LEU A 34 0.450 -1.831 -16.554 1.00 1.34 H new ATOM 503 N THR A 35 -1.802 0.735 -12.318 1.00 0.46 N ATOM 504 CA THR A 35 -3.005 1.373 -11.779 1.00 0.43 C ATOM 505 C THR A 35 -2.708 2.119 -10.481 1.00 0.43 C ATOM 506 O THR A 35 -2.126 1.562 -9.553 1.00 0.52 O ATOM 507 CB THR A 35 -4.102 0.331 -11.541 1.00 0.49 C ATOM 508 OG1 THR A 35 -3.553 -0.864 -11.024 1.00 0.68 O ATOM 509 CG2 THR A 35 -4.879 -0.020 -12.793 1.00 0.72 C ATOM 0 H THR A 35 -1.352 0.080 -11.678 1.00 0.46 H new ATOM 0 HA THR A 35 -3.351 2.098 -12.516 1.00 0.43 H new ATOM 0 HB THR A 35 -4.787 0.790 -10.828 1.00 0.49 H new ATOM 0 HG1 THR A 35 -4.179 -1.603 -11.173 1.00 0.68 H new ATOM 0 HG21 THR A 35 -5.640 -0.763 -12.553 1.00 0.72 H new ATOM 0 HG22 THR A 35 -5.359 0.876 -13.187 1.00 0.72 H new ATOM 0 HG23 THR A 35 -4.199 -0.426 -13.542 1.00 0.72 H new ATOM 517 N VAL A 36 -3.117 3.384 -10.426 1.00 0.40 N ATOM 518 CA VAL A 36 -2.899 4.213 -9.242 1.00 0.46 C ATOM 519 C VAL A 36 -4.042 5.205 -9.051 1.00 0.48 C ATOM 520 O VAL A 36 -4.161 6.177 -9.799 1.00 0.56 O ATOM 521 CB VAL A 36 -1.573 4.999 -9.331 1.00 0.58 C ATOM 522 CG1 VAL A 36 -1.409 5.913 -8.126 1.00 1.32 C ATOM 523 CG2 VAL A 36 -0.392 4.049 -9.446 1.00 1.45 C ATOM 0 H VAL A 36 -3.602 3.858 -11.188 1.00 0.40 H new ATOM 0 HA VAL A 36 -2.854 3.534 -8.391 1.00 0.46 H new ATOM 0 HB VAL A 36 -1.603 5.617 -10.228 1.00 0.58 H new ATOM 0 HG11 VAL A 36 -0.468 6.458 -8.208 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -2.237 6.621 -8.091 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -1.404 5.316 -7.214 1.00 1.32 H new ATOM 0 HG21 VAL A 36 0.532 4.623 -9.507 1.00 1.45 H new ATOM 0 HG22 VAL A 36 -0.359 3.401 -8.570 1.00 1.45 H new ATOM 0 HG23 VAL A 36 -0.501 3.440 -10.343 1.00 1.45 H new ATOM 533 N SER A 37 -4.878 4.960 -8.047 1.00 0.45 N ATOM 534 CA SER A 37 -6.005 5.838 -7.762 1.00 0.54 C ATOM 535 C SER A 37 -6.618 5.516 -6.402 1.00 0.57 C ATOM 536 O SER A 37 -6.185 4.585 -5.723 1.00 1.08 O ATOM 537 CB SER A 37 -7.066 5.706 -8.858 1.00 0.65 C ATOM 538 OG SER A 37 -8.160 6.576 -8.623 1.00 1.28 O ATOM 0 H SER A 37 -4.796 4.161 -7.418 1.00 0.45 H new ATOM 0 HA SER A 37 -5.639 6.864 -7.739 1.00 0.54 H new ATOM 0 HB2 SER A 37 -6.621 5.932 -9.827 1.00 0.65 H new ATOM 0 HB3 SER A 37 -7.420 4.676 -8.902 1.00 0.65 H new ATOM 0 HG SER A 37 -8.821 6.471 -9.339 1.00 1.28 H new ATOM 544 N SER A 38 -7.630 6.292 -6.020 1.00 0.59 N ATOM 545 CA SER A 38 -8.322 6.099 -4.748 1.00 0.59 C ATOM 546 C SER A 38 -7.415 6.398 -3.556 1.00 0.52 C ATOM 547 O SER A 38 -7.086 5.503 -2.777 1.00 0.63 O ATOM 548 CB SER A 38 -8.866 4.672 -4.645 1.00 0.78 C ATOM 549 OG SER A 38 -9.775 4.391 -5.695 1.00 1.68 O ATOM 0 H SER A 38 -7.991 7.066 -6.578 1.00 0.59 H new ATOM 0 HA SER A 38 -9.153 6.804 -4.721 1.00 0.59 H new ATOM 0 HB2 SER A 38 -8.039 3.962 -4.677 1.00 0.78 H new ATOM 0 HB3 SER A 38 -9.364 4.539 -3.685 1.00 0.78 H new ATOM 0 HG SER A 38 -10.526 3.867 -5.346 1.00 1.68 H new ATOM 555 N PHE A 39 -7.032 7.665 -3.402 1.00 0.44 N ATOM 556 CA PHE A 39 -6.186 8.072 -2.283 1.00 0.50 C ATOM 557 C PHE A 39 -6.984 8.001 -0.987 1.00 0.57 C ATOM 558 O PHE A 39 -7.631 8.970 -0.593 1.00 0.75 O ATOM 559 CB PHE A 39 -5.647 9.490 -2.491 1.00 0.59 C ATOM 560 CG PHE A 39 -4.694 9.623 -3.647 1.00 0.59 C ATOM 561 CD1 PHE A 39 -5.080 9.272 -4.931 1.00 0.65 C ATOM 562 CD2 PHE A 39 -3.407 10.098 -3.445 1.00 0.83 C ATOM 563 CE1 PHE A 39 -4.200 9.394 -5.991 1.00 0.98 C ATOM 564 CE2 PHE A 39 -2.525 10.222 -4.502 1.00 1.19 C ATOM 565 CZ PHE A 39 -2.922 9.870 -5.776 1.00 1.26 C ATOM 0 H PHE A 39 -7.292 8.422 -4.034 1.00 0.44 H new ATOM 0 HA PHE A 39 -5.336 7.392 -2.225 1.00 0.50 H new ATOM 0 HB2 PHE A 39 -6.487 10.167 -2.647 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -5.143 9.813 -1.580 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -6.078 8.899 -5.106 1.00 0.65 H new ATOM 0 HD2 PHE A 39 -3.090 10.374 -2.450 1.00 0.83 H new ATOM 0 HE1 PHE A 39 -4.513 9.117 -6.987 1.00 0.98 H new ATOM 0 HE2 PHE A 39 -1.526 10.594 -4.331 1.00 1.19 H new ATOM 0 HZ PHE A 39 -2.234 9.967 -6.603 1.00 1.26 H new ATOM 575 N TYR A 40 -6.950 6.843 -0.339 1.00 0.65 N ATOM 576 CA TYR A 40 -7.697 6.636 0.900 1.00 0.81 C ATOM 577 C TYR A 40 -7.002 7.265 2.098 1.00 0.71 C ATOM 578 O TYR A 40 -5.780 7.202 2.232 1.00 0.71 O ATOM 579 CB TYR A 40 -7.927 5.144 1.142 1.00 1.01 C ATOM 580 CG TYR A 40 -6.660 4.333 1.277 1.00 1.49 C ATOM 581 CD1 TYR A 40 -6.010 3.844 0.154 1.00 1.73 C ATOM 582 CD2 TYR A 40 -6.128 4.037 2.526 1.00 2.39 C ATOM 583 CE1 TYR A 40 -4.861 3.085 0.267 1.00 2.61 C ATOM 584 CE2 TYR A 40 -4.978 3.280 2.650 1.00 3.35 C ATOM 585 CZ TYR A 40 -4.349 2.805 1.517 1.00 3.41 C ATOM 586 OH TYR A 40 -3.203 2.053 1.633 1.00 4.43 O ATOM 0 H TYR A 40 -6.414 6.032 -0.649 1.00 0.65 H new ATOM 0 HA TYR A 40 -8.661 7.132 0.784 1.00 0.81 H new ATOM 0 HB2 TYR A 40 -8.521 5.022 2.048 1.00 1.01 H new ATOM 0 HB3 TYR A 40 -8.516 4.741 0.318 1.00 1.01 H new ATOM 0 HD1 TYR A 40 -6.409 4.060 -0.826 1.00 1.73 H new ATOM 0 HD2 TYR A 40 -6.621 4.404 3.414 1.00 2.39 H new ATOM 0 HE1 TYR A 40 -4.367 2.713 -0.618 1.00 2.61 H new ATOM 0 HE2 TYR A 40 -4.574 3.062 3.628 1.00 3.35 H new ATOM 0 HH TYR A 40 -3.417 1.107 1.493 1.00 4.43 H new ATOM 596 N ARG A 41 -7.804 7.872 2.965 1.00 0.70 N ATOM 597 CA ARG A 41 -7.287 8.521 4.164 1.00 0.67 C ATOM 598 C ARG A 41 -7.451 7.621 5.385 1.00 0.64 C ATOM 599 O ARG A 41 -8.490 6.986 5.564 1.00 0.70 O ATOM 600 CB ARG A 41 -8.018 9.845 4.390 1.00 0.79 C ATOM 601 CG ARG A 41 -7.460 10.661 5.547 1.00 0.95 C ATOM 602 CD ARG A 41 -8.056 12.059 5.578 1.00 1.52 C ATOM 603 NE ARG A 41 -7.617 12.816 6.748 1.00 2.11 N ATOM 604 CZ ARG A 41 -7.921 12.487 8.001 1.00 2.49 C ATOM 605 NH1 ARG A 41 -8.686 11.431 8.248 1.00 2.37 N ATOM 606 NH2 ARG A 41 -7.465 13.217 9.009 1.00 3.51 N ATOM 0 H ARG A 41 -8.817 7.928 2.860 1.00 0.70 H new ATOM 0 HA ARG A 41 -6.223 8.712 4.022 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -7.965 10.440 3.478 1.00 0.79 H new ATOM 0 HB3 ARG A 41 -9.072 9.641 4.576 1.00 0.79 H new ATOM 0 HG2 ARG A 41 -7.671 10.153 6.488 1.00 0.95 H new ATOM 0 HG3 ARG A 41 -6.376 10.728 5.457 1.00 0.95 H new ATOM 0 HD2 ARG A 41 -7.771 12.594 4.672 1.00 1.52 H new ATOM 0 HD3 ARG A 41 -9.144 11.989 5.579 1.00 1.52 H new ATOM 0 HE ARG A 41 -7.044 13.646 6.595 1.00 2.11 H new ATOM 0 HH11 ARG A 41 -9.043 10.868 7.476 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -8.917 11.182 9.210 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -6.880 14.032 8.825 1.00 3.51 H new ATOM 0 HH22 ARG A 41 -7.699 12.964 9.969 1.00 3.51 H new ATOM 620 N THR A 42 -6.421 7.576 6.224 1.00 0.80 N ATOM 621 CA THR A 42 -6.456 6.758 7.432 1.00 0.97 C ATOM 622 C THR A 42 -6.384 7.634 8.683 1.00 1.03 C ATOM 623 O THR A 42 -5.426 8.393 8.865 1.00 1.12 O ATOM 624 CB THR A 42 -5.303 5.749 7.431 1.00 1.17 C ATOM 625 OG1 THR A 42 -5.354 4.926 6.281 1.00 1.44 O ATOM 626 CG2 THR A 42 -5.296 4.843 8.645 1.00 1.32 C ATOM 0 H THR A 42 -5.553 8.095 6.090 1.00 0.80 H new ATOM 0 HA THR A 42 -7.400 6.214 7.444 1.00 0.97 H new ATOM 0 HB THR A 42 -4.395 6.352 7.443 1.00 1.17 H new ATOM 0 HG1 THR A 42 -4.608 4.290 6.300 1.00 1.44 H new ATOM 0 HG21 THR A 42 -4.454 4.154 8.580 1.00 1.32 H new ATOM 0 HG22 THR A 42 -5.203 5.446 9.548 1.00 1.32 H new ATOM 0 HG23 THR A 42 -6.226 4.276 8.682 1.00 1.32 H new ATOM 634 N PRO A 43 -7.402 7.542 9.562 1.00 1.12 N ATOM 635 CA PRO A 43 -7.455 8.328 10.796 1.00 1.31 C ATOM 636 C PRO A 43 -6.604 7.718 11.913 1.00 1.50 C ATOM 637 O PRO A 43 -6.460 6.499 11.998 1.00 1.71 O ATOM 638 CB PRO A 43 -8.935 8.284 11.163 1.00 1.48 C ATOM 639 CG PRO A 43 -9.414 6.972 10.642 1.00 1.38 C ATOM 640 CD PRO A 43 -8.588 6.668 9.416 1.00 1.15 C ATOM 0 HA PRO A 43 -7.060 9.335 10.663 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -9.078 8.358 12.241 1.00 1.48 H new ATOM 0 HB3 PRO A 43 -9.480 9.113 10.711 1.00 1.48 H new ATOM 0 HG2 PRO A 43 -9.296 6.190 11.393 1.00 1.38 H new ATOM 0 HG3 PRO A 43 -10.474 7.017 10.393 1.00 1.38 H new ATOM 0 HD2 PRO A 43 -8.307 5.616 9.374 1.00 1.15 H new ATOM 0 HD3 PRO A 43 -9.136 6.888 8.500 1.00 1.15 H new ATOM 648 N PRO A 44 -6.020 8.566 12.785 1.00 1.55 N ATOM 649 CA PRO A 44 -5.175 8.104 13.897 1.00 1.80 C ATOM 650 C PRO A 44 -5.953 7.325 14.953 1.00 2.15 C ATOM 651 O PRO A 44 -6.027 6.097 14.900 1.00 2.77 O ATOM 652 CB PRO A 44 -4.625 9.405 14.490 1.00 1.80 C ATOM 653 CG PRO A 44 -5.619 10.444 14.106 1.00 1.81 C ATOM 654 CD PRO A 44 -6.128 10.037 12.755 1.00 1.54 C ATOM 0 HA PRO A 44 -4.406 7.412 13.554 1.00 1.80 H new ATOM 0 HB2 PRO A 44 -4.523 9.335 15.573 1.00 1.80 H new ATOM 0 HB3 PRO A 44 -3.637 9.635 14.091 1.00 1.80 H new ATOM 0 HG2 PRO A 44 -6.431 10.496 14.831 1.00 1.81 H new ATOM 0 HG3 PRO A 44 -5.159 11.432 14.070 1.00 1.81 H new ATOM 0 HD2 PRO A 44 -7.156 10.362 12.597 1.00 1.54 H new ATOM 0 HD3 PRO A 44 -5.530 10.469 11.952 1.00 1.54 H new ATOM 662 N LEU A 45 -6.521 8.046 15.921 1.00 2.16 N ATOM 663 CA LEU A 45 -7.282 7.425 17.000 1.00 2.52 C ATOM 664 C LEU A 45 -6.403 6.471 17.803 1.00 2.69 C ATOM 665 O LEU A 45 -6.839 5.384 18.182 1.00 3.09 O ATOM 666 CB LEU A 45 -8.504 6.676 16.449 1.00 2.75 C ATOM 667 CG LEU A 45 -9.622 7.557 15.879 1.00 3.05 C ATOM 668 CD1 LEU A 45 -9.154 8.303 14.638 1.00 3.66 C ATOM 669 CD2 LEU A 45 -10.848 6.714 15.561 1.00 3.32 C ATOM 0 H LEU A 45 -6.467 9.063 15.977 1.00 2.16 H new ATOM 0 HA LEU A 45 -7.631 8.219 17.661 1.00 2.52 H new ATOM 0 HB2 LEU A 45 -8.168 5.996 15.666 1.00 2.75 H new ATOM 0 HB3 LEU A 45 -8.921 6.062 17.247 1.00 2.75 H new ATOM 0 HG LEU A 45 -9.889 8.296 16.634 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -9.968 8.920 14.256 1.00 3.66 H new ATOM 0 HD12 LEU A 45 -8.306 8.939 14.894 1.00 3.66 H new ATOM 0 HD13 LEU A 45 -8.853 7.586 13.874 1.00 3.66 H new ATOM 0 HD21 LEU A 45 -11.634 7.352 15.157 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -10.586 5.953 14.826 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -11.204 6.232 16.471 1.00 3.32 H new ATOM 681 N GLY A 46 -5.163 6.884 18.059 1.00 2.52 N ATOM 682 CA GLY A 46 -4.249 6.048 18.815 1.00 2.73 C ATOM 683 C GLY A 46 -2.835 6.588 18.783 1.00 2.68 C ATOM 684 O GLY A 46 -2.334 7.073 19.797 1.00 2.81 O ATOM 0 H GLY A 46 -4.778 7.779 17.757 1.00 2.52 H new ATOM 0 HA2 GLY A 46 -4.589 5.980 19.848 1.00 2.73 H new ATOM 0 HA3 GLY A 46 -4.261 5.037 18.409 1.00 2.73 H new ATOM 688 N PRO A 47 -2.167 6.532 17.619 1.00 2.59 N ATOM 689 CA PRO A 47 -0.801 7.037 17.473 1.00 2.65 C ATOM 690 C PRO A 47 -0.700 8.497 17.900 1.00 2.60 C ATOM 691 O PRO A 47 0.236 8.885 18.599 1.00 2.86 O ATOM 692 CB PRO A 47 -0.516 6.888 15.976 1.00 2.59 C ATOM 693 CG PRO A 47 -1.458 5.831 15.512 1.00 2.63 C ATOM 694 CD PRO A 47 -2.689 5.982 16.355 1.00 2.54 C ATOM 0 HA PRO A 47 -0.089 6.498 18.098 1.00 2.65 H new ATOM 0 HB2 PRO A 47 -0.682 7.826 15.446 1.00 2.59 H new ATOM 0 HB3 PRO A 47 0.520 6.601 15.797 1.00 2.59 H new ATOM 0 HG2 PRO A 47 -1.691 5.952 14.454 1.00 2.63 H new ATOM 0 HG3 PRO A 47 -1.022 4.839 15.631 1.00 2.63 H new ATOM 0 HD2 PRO A 47 -3.414 6.653 15.893 1.00 2.54 H new ATOM 0 HD3 PRO A 47 -3.191 5.027 16.509 1.00 2.54 H new ATOM 702 N GLN A 48 -1.678 9.300 17.481 1.00 2.39 N ATOM 703 CA GLN A 48 -1.707 10.717 17.829 1.00 2.50 C ATOM 704 C GLN A 48 -2.990 11.380 17.333 1.00 2.40 C ATOM 705 O GLN A 48 -4.008 10.713 17.143 1.00 2.57 O ATOM 706 CB GLN A 48 -0.482 11.431 17.257 1.00 2.56 C ATOM 707 CG GLN A 48 -0.428 11.458 15.739 1.00 2.73 C ATOM 708 CD GLN A 48 -0.192 10.091 15.137 1.00 2.73 C ATOM 709 OE1 GLN A 48 -1.168 9.604 14.385 1.00 3.26 O flip ATOM 710 NE2 GLN A 48 0.856 9.478 15.347 1.00 2.45 N flip ATOM 0 H GLN A 48 -2.459 8.992 16.901 1.00 2.39 H new ATOM 0 HA GLN A 48 -1.685 10.798 18.916 1.00 2.50 H new ATOM 0 HB2 GLN A 48 -0.467 12.456 17.628 1.00 2.56 H new ATOM 0 HB3 GLN A 48 0.417 10.943 17.633 1.00 2.56 H new ATOM 0 HG2 GLN A 48 -1.364 11.863 15.354 1.00 2.73 H new ATOM 0 HG3 GLN A 48 0.367 12.133 15.420 1.00 2.73 H new ATOM 0 HE21 GLN A 48 1.581 9.893 15.933 1.00 2.45 H new ATOM 0 HE22 GLN A 48 0.999 8.556 14.935 1.00 2.45 H new ATOM 719 N ASP A 49 -2.945 12.698 17.137 1.00 2.45 N ATOM 720 CA ASP A 49 -4.116 13.440 16.676 1.00 2.47 C ATOM 721 C ASP A 49 -3.751 14.466 15.602 1.00 2.38 C ATOM 722 O ASP A 49 -4.418 15.493 15.471 1.00 2.57 O ATOM 723 CB ASP A 49 -4.791 14.145 17.855 1.00 2.79 C ATOM 724 CG ASP A 49 -5.294 13.174 18.906 1.00 2.83 C ATOM 725 OD1 ASP A 49 -4.459 12.466 19.508 1.00 3.02 O ATOM 726 OD2 ASP A 49 -6.521 13.120 19.126 1.00 3.28 O ATOM 0 H ASP A 49 -2.115 13.270 17.290 1.00 2.45 H new ATOM 0 HA ASP A 49 -4.806 12.722 16.234 1.00 2.47 H new ATOM 0 HB2 ASP A 49 -4.084 14.836 18.313 1.00 2.79 H new ATOM 0 HB3 ASP A 49 -5.626 14.741 17.487 1.00 2.79 H new ATOM 731 N GLN A 50 -2.703 14.186 14.833 1.00 2.26 N ATOM 732 CA GLN A 50 -2.280 15.098 13.771 1.00 2.39 C ATOM 733 C GLN A 50 -1.432 14.398 12.704 1.00 2.01 C ATOM 734 O GLN A 50 -0.404 14.926 12.282 1.00 2.19 O ATOM 735 CB GLN A 50 -1.513 16.283 14.370 1.00 3.08 C ATOM 736 CG GLN A 50 -0.447 15.899 15.388 1.00 3.45 C ATOM 737 CD GLN A 50 0.782 15.270 14.759 1.00 3.73 C ATOM 738 OE1 GLN A 50 1.114 14.060 15.191 1.00 4.34 O flip ATOM 739 NE2 GLN A 50 1.433 15.870 13.904 1.00 3.74 N flip ATOM 0 H GLN A 50 -2.135 13.344 14.922 1.00 2.26 H new ATOM 0 HA GLN A 50 -3.181 15.461 13.276 1.00 2.39 H new ATOM 0 HB2 GLN A 50 -1.040 16.839 13.561 1.00 3.08 H new ATOM 0 HB3 GLN A 50 -2.225 16.957 14.846 1.00 3.08 H new ATOM 0 HG2 GLN A 50 -0.148 16.788 15.944 1.00 3.45 H new ATOM 0 HG3 GLN A 50 -0.876 15.202 16.108 1.00 3.45 H new ATOM 0 HE21 GLN A 50 1.142 16.799 13.600 1.00 3.74 H new ATOM 0 HE22 GLN A 50 2.263 15.438 13.499 1.00 3.74 H new ATOM 748 N PRO A 51 -1.844 13.198 12.247 1.00 1.98 N ATOM 749 CA PRO A 51 -1.110 12.448 11.238 1.00 2.00 C ATOM 750 C PRO A 51 -1.627 12.671 9.816 1.00 1.82 C ATOM 751 O PRO A 51 -0.853 12.998 8.915 1.00 2.47 O ATOM 752 CB PRO A 51 -1.372 11.016 11.675 1.00 2.71 C ATOM 753 CG PRO A 51 -2.762 11.037 12.226 1.00 2.89 C ATOM 754 CD PRO A 51 -3.045 12.458 12.672 1.00 2.51 C ATOM 0 HA PRO A 51 -0.061 12.739 11.185 1.00 2.00 H new ATOM 0 HB2 PRO A 51 -1.288 10.324 10.837 1.00 2.71 H new ATOM 0 HB3 PRO A 51 -0.652 10.693 12.427 1.00 2.71 H new ATOM 0 HG2 PRO A 51 -3.481 10.721 11.470 1.00 2.89 H new ATOM 0 HG3 PRO A 51 -2.855 10.345 13.063 1.00 2.89 H new ATOM 0 HD2 PRO A 51 -3.947 12.853 12.204 1.00 2.51 H new ATOM 0 HD3 PRO A 51 -3.193 12.518 13.750 1.00 2.51 H new ATOM 762 N ASP A 52 -2.932 12.469 9.617 1.00 1.32 N ATOM 763 CA ASP A 52 -3.537 12.621 8.298 1.00 1.52 C ATOM 764 C ASP A 52 -2.877 11.661 7.319 1.00 1.28 C ATOM 765 O ASP A 52 -2.160 12.079 6.409 1.00 2.07 O ATOM 766 CB ASP A 52 -3.398 14.064 7.802 1.00 2.12 C ATOM 767 CG ASP A 52 -4.051 15.065 8.736 1.00 2.77 C ATOM 768 OD1 ASP A 52 -3.640 15.134 9.913 1.00 3.33 O ATOM 769 OD2 ASP A 52 -4.974 15.779 8.289 1.00 3.26 O ATOM 0 H ASP A 52 -3.586 12.201 10.352 1.00 1.32 H new ATOM 0 HA ASP A 52 -4.599 12.387 8.369 1.00 1.52 H new ATOM 0 HB2 ASP A 52 -2.341 14.308 7.695 1.00 2.12 H new ATOM 0 HB3 ASP A 52 -3.847 14.149 6.812 1.00 2.12 H new ATOM 774 N TYR A 53 -3.107 10.365 7.524 1.00 0.84 N ATOM 775 CA TYR A 53 -2.516 9.344 6.669 1.00 1.19 C ATOM 776 C TYR A 53 -2.961 9.491 5.220 1.00 0.96 C ATOM 777 O TYR A 53 -4.093 9.156 4.870 1.00 1.43 O ATOM 778 CB TYR A 53 -2.878 7.941 7.160 1.00 2.08 C ATOM 779 CG TYR A 53 -2.211 7.527 8.455 1.00 3.12 C ATOM 780 CD1 TYR A 53 -2.365 8.267 9.620 1.00 3.74 C ATOM 781 CD2 TYR A 53 -1.432 6.377 8.508 1.00 3.88 C ATOM 782 CE1 TYR A 53 -1.760 7.873 10.799 1.00 4.86 C ATOM 783 CE2 TYR A 53 -0.826 5.977 9.685 1.00 5.03 C ATOM 784 CZ TYR A 53 -0.994 6.729 10.826 1.00 5.45 C ATOM 785 OH TYR A 53 -0.392 6.334 11.999 1.00 6.66 O ATOM 0 H TYR A 53 -3.696 10.001 8.273 1.00 0.84 H new ATOM 0 HA TYR A 53 -1.436 9.482 6.720 1.00 1.19 H new ATOM 0 HB2 TYR A 53 -3.959 7.885 7.291 1.00 2.08 H new ATOM 0 HB3 TYR A 53 -2.613 7.221 6.386 1.00 2.08 H new ATOM 0 HD1 TYR A 53 -2.966 9.164 9.605 1.00 3.74 H new ATOM 0 HD2 TYR A 53 -1.298 5.786 7.614 1.00 3.88 H new ATOM 0 HE1 TYR A 53 -1.888 8.461 11.696 1.00 4.86 H new ATOM 0 HE2 TYR A 53 -0.225 5.080 9.709 1.00 5.03 H new ATOM 0 HH TYR A 53 0.111 5.507 11.846 1.00 6.66 H new ATOM 795 N LEU A 54 -2.051 9.957 4.371 1.00 0.84 N ATOM 796 CA LEU A 54 -2.341 10.102 2.952 1.00 0.76 C ATOM 797 C LEU A 54 -1.873 8.851 2.223 1.00 0.76 C ATOM 798 O LEU A 54 -0.681 8.681 1.961 1.00 0.98 O ATOM 799 CB LEU A 54 -1.661 11.345 2.378 1.00 0.97 C ATOM 800 CG LEU A 54 -1.924 11.602 0.892 1.00 1.15 C ATOM 801 CD1 LEU A 54 -3.417 11.727 0.623 1.00 1.60 C ATOM 802 CD2 LEU A 54 -1.198 12.854 0.435 1.00 1.60 C ATOM 0 H LEU A 54 -1.109 10.240 4.642 1.00 0.84 H new ATOM 0 HA LEU A 54 -3.416 10.225 2.816 1.00 0.76 H new ATOM 0 HB2 LEU A 54 -1.991 12.215 2.945 1.00 0.97 H new ATOM 0 HB3 LEU A 54 -0.585 11.255 2.530 1.00 0.97 H new ATOM 0 HG LEU A 54 -1.544 10.752 0.325 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -3.581 11.909 -0.439 1.00 1.60 H new ATOM 0 HD12 LEU A 54 -3.918 10.804 0.914 1.00 1.60 H new ATOM 0 HD13 LEU A 54 -3.823 12.558 1.201 1.00 1.60 H new ATOM 0 HD21 LEU A 54 -1.395 13.023 -0.624 1.00 1.60 H new ATOM 0 HD22 LEU A 54 -1.551 13.710 1.011 1.00 1.60 H new ATOM 0 HD23 LEU A 54 -0.126 12.730 0.589 1.00 1.60 H new ATOM 814 N ASN A 55 -2.812 7.958 1.940 1.00 0.60 N ATOM 815 CA ASN A 55 -2.491 6.699 1.286 1.00 0.66 C ATOM 816 C ASN A 55 -3.285 6.521 -0.007 1.00 0.50 C ATOM 817 O ASN A 55 -4.246 7.246 -0.264 1.00 0.56 O ATOM 818 CB ASN A 55 -2.798 5.549 2.238 1.00 0.87 C ATOM 819 CG ASN A 55 -2.234 5.762 3.631 1.00 1.51 C ATOM 820 OD1 ASN A 55 -2.448 6.805 4.248 1.00 2.21 O ATOM 821 ND2 ASN A 55 -1.534 4.761 4.148 1.00 2.21 N ATOM 0 H ASN A 55 -3.802 8.083 2.153 1.00 0.60 H new ATOM 0 HA ASN A 55 -1.432 6.705 1.030 1.00 0.66 H new ATOM 0 HB2 ASN A 55 -3.878 5.420 2.306 1.00 0.87 H new ATOM 0 HB3 ASN A 55 -2.392 4.625 1.825 1.00 0.87 H new ATOM 0 HD21 ASN A 55 -1.151 4.840 5.090 1.00 2.21 H new ATOM 0 HD22 ASN A 55 -1.379 3.913 3.604 1.00 2.21 H new ATOM 828 N ALA A 56 -2.881 5.541 -0.814 1.00 0.50 N ATOM 829 CA ALA A 56 -3.551 5.260 -2.076 1.00 0.45 C ATOM 830 C ALA A 56 -3.210 3.862 -2.584 1.00 0.45 C ATOM 831 O ALA A 56 -2.226 3.254 -2.159 1.00 0.61 O ATOM 832 CB ALA A 56 -3.177 6.307 -3.114 1.00 0.58 C ATOM 0 H ALA A 56 -2.091 4.929 -0.613 1.00 0.50 H new ATOM 0 HA ALA A 56 -4.627 5.300 -1.904 1.00 0.45 H new ATOM 0 HB1 ALA A 56 -3.684 6.086 -4.053 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -3.480 7.293 -2.762 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -2.099 6.293 -3.272 1.00 0.58 H new ATOM 838 N ALA A 57 -4.036 3.362 -3.501 1.00 0.43 N ATOM 839 CA ALA A 57 -3.834 2.040 -4.076 1.00 0.47 C ATOM 840 C ALA A 57 -2.999 2.112 -5.339 1.00 0.40 C ATOM 841 O ALA A 57 -3.261 2.919 -6.231 1.00 0.44 O ATOM 842 CB ALA A 57 -5.170 1.376 -4.371 1.00 0.59 C ATOM 0 H ALA A 57 -4.853 3.856 -3.860 1.00 0.43 H new ATOM 0 HA ALA A 57 -3.294 1.439 -3.344 1.00 0.47 H new ATOM 0 HB1 ALA A 57 -4.999 0.389 -4.800 1.00 0.59 H new ATOM 0 HB2 ALA A 57 -5.739 1.276 -3.446 1.00 0.59 H new ATOM 0 HB3 ALA A 57 -5.732 1.987 -5.078 1.00 0.59 H new ATOM 848 N VAL A 58 -1.995 1.251 -5.409 1.00 0.39 N ATOM 849 CA VAL A 58 -1.120 1.190 -6.557 1.00 0.39 C ATOM 850 C VAL A 58 -0.910 -0.258 -6.956 1.00 0.40 C ATOM 851 O VAL A 58 -0.780 -1.130 -6.108 1.00 0.60 O ATOM 852 CB VAL A 58 0.242 1.851 -6.267 1.00 0.49 C ATOM 853 CG1 VAL A 58 1.173 1.711 -7.462 1.00 1.11 C ATOM 854 CG2 VAL A 58 0.051 3.315 -5.903 1.00 1.22 C ATOM 0 H VAL A 58 -1.769 0.581 -4.674 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.592 1.738 -7.372 1.00 0.39 H new ATOM 0 HB VAL A 58 0.700 1.341 -5.420 1.00 0.49 H new ATOM 0 HG11 VAL A 58 2.129 2.184 -7.236 1.00 1.11 H new ATOM 0 HG12 VAL A 58 1.333 0.654 -7.677 1.00 1.11 H new ATOM 0 HG13 VAL A 58 0.725 2.194 -8.331 1.00 1.11 H new ATOM 0 HG21 VAL A 58 1.021 3.769 -5.701 1.00 1.22 H new ATOM 0 HG22 VAL A 58 -0.428 3.836 -6.732 1.00 1.22 H new ATOM 0 HG23 VAL A 58 -0.577 3.390 -5.015 1.00 1.22 H new ATOM 864 N ALA A 59 -0.878 -0.501 -8.248 1.00 0.34 N ATOM 865 CA ALA A 59 -0.674 -1.840 -8.764 1.00 0.36 C ATOM 866 C ALA A 59 0.321 -1.797 -9.902 1.00 0.37 C ATOM 867 O ALA A 59 -0.040 -1.564 -11.055 1.00 0.43 O ATOM 868 CB ALA A 59 -1.989 -2.454 -9.216 1.00 0.44 C ATOM 0 H ALA A 59 -0.991 0.215 -8.966 1.00 0.34 H new ATOM 0 HA ALA A 59 -0.275 -2.469 -7.968 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -1.809 -3.458 -9.599 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -2.676 -2.505 -8.371 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -2.426 -1.839 -10.002 1.00 0.44 H new ATOM 874 N LEU A 60 1.578 -2.006 -9.567 1.00 0.37 N ATOM 875 CA LEU A 60 2.642 -1.977 -10.559 1.00 0.45 C ATOM 876 C LEU A 60 2.962 -3.375 -11.072 1.00 0.39 C ATOM 877 O LEU A 60 3.105 -4.319 -10.292 1.00 0.38 O ATOM 878 CB LEU A 60 3.886 -1.300 -9.966 1.00 0.56 C ATOM 879 CG LEU A 60 5.233 -1.767 -10.521 1.00 0.48 C ATOM 880 CD1 LEU A 60 6.259 -0.647 -10.439 1.00 0.44 C ATOM 881 CD2 LEU A 60 5.729 -2.980 -9.746 1.00 0.98 C ATOM 0 H LEU A 60 1.891 -2.198 -8.616 1.00 0.37 H new ATOM 0 HA LEU A 60 2.303 -1.395 -11.416 1.00 0.45 H new ATOM 0 HB2 LEU A 60 3.802 -0.225 -10.127 1.00 0.56 H new ATOM 0 HB3 LEU A 60 3.884 -1.462 -8.888 1.00 0.56 H new ATOM 0 HG LEU A 60 5.098 -2.044 -11.567 1.00 0.48 H new ATOM 0 HD11 LEU A 60 7.211 -0.996 -10.838 1.00 0.44 H new ATOM 0 HD12 LEU A 60 5.913 0.207 -11.021 1.00 0.44 H new ATOM 0 HD13 LEU A 60 6.389 -0.348 -9.399 1.00 0.44 H new ATOM 0 HD21 LEU A 60 6.688 -3.303 -10.150 1.00 0.98 H new ATOM 0 HD22 LEU A 60 5.848 -2.716 -8.695 1.00 0.98 H new ATOM 0 HD23 LEU A 60 5.006 -3.790 -9.837 1.00 0.98 H new ATOM 893 N GLU A 61 3.081 -3.495 -12.390 1.00 0.39 N ATOM 894 CA GLU A 61 3.398 -4.773 -13.012 1.00 0.38 C ATOM 895 C GLU A 61 4.881 -5.071 -12.842 1.00 0.36 C ATOM 896 O GLU A 61 5.716 -4.640 -13.639 1.00 0.38 O ATOM 897 CB GLU A 61 3.011 -4.765 -14.495 1.00 0.44 C ATOM 898 CG GLU A 61 3.595 -3.602 -15.283 1.00 1.08 C ATOM 899 CD GLU A 61 3.191 -3.626 -16.744 1.00 1.06 C ATOM 900 OE1 GLU A 61 3.509 -4.619 -17.431 1.00 1.39 O ATOM 901 OE2 GLU A 61 2.556 -2.652 -17.200 1.00 1.24 O ATOM 0 H GLU A 61 2.963 -2.723 -13.046 1.00 0.39 H new ATOM 0 HA GLU A 61 2.822 -5.558 -12.522 1.00 0.38 H new ATOM 0 HB2 GLU A 61 3.339 -5.699 -14.950 1.00 0.44 H new ATOM 0 HB3 GLU A 61 1.924 -4.735 -14.576 1.00 0.44 H new ATOM 0 HG2 GLU A 61 3.268 -2.664 -14.835 1.00 1.08 H new ATOM 0 HG3 GLU A 61 4.682 -3.628 -15.210 1.00 1.08 H new ATOM 908 N THR A 62 5.201 -5.790 -11.775 1.00 0.39 N ATOM 909 CA THR A 62 6.576 -6.130 -11.468 1.00 0.43 C ATOM 910 C THR A 62 6.980 -7.463 -12.075 1.00 0.39 C ATOM 911 O THR A 62 6.155 -8.219 -12.588 1.00 0.43 O ATOM 912 CB THR A 62 6.781 -6.166 -9.949 1.00 0.54 C ATOM 913 OG1 THR A 62 8.053 -6.688 -9.619 1.00 1.47 O ATOM 914 CG2 THR A 62 5.740 -6.992 -9.224 1.00 1.02 C ATOM 0 H THR A 62 4.520 -6.149 -11.106 1.00 0.39 H new ATOM 0 HA THR A 62 7.211 -5.360 -11.907 1.00 0.43 H new ATOM 0 HB THR A 62 6.690 -5.129 -9.625 1.00 0.54 H new ATOM 0 HG1 THR A 62 8.749 -6.068 -9.921 1.00 1.47 H new ATOM 0 HG21 THR A 62 5.944 -6.976 -8.153 1.00 1.02 H new ATOM 0 HG22 THR A 62 4.750 -6.576 -9.412 1.00 1.02 H new ATOM 0 HG23 THR A 62 5.776 -8.020 -9.584 1.00 1.02 H new ATOM 922 N SER A 63 8.264 -7.740 -11.963 1.00 0.40 N ATOM 923 CA SER A 63 8.856 -8.980 -12.441 1.00 0.44 C ATOM 924 C SER A 63 9.727 -9.509 -11.323 1.00 0.44 C ATOM 925 O SER A 63 10.260 -10.617 -11.365 1.00 0.64 O ATOM 926 CB SER A 63 9.685 -8.743 -13.706 1.00 0.56 C ATOM 927 OG SER A 63 10.263 -9.949 -14.173 1.00 1.23 O ATOM 0 H SER A 63 8.936 -7.105 -11.533 1.00 0.40 H new ATOM 0 HA SER A 63 8.080 -9.698 -12.705 1.00 0.44 H new ATOM 0 HB2 SER A 63 9.052 -8.315 -14.484 1.00 0.56 H new ATOM 0 HB3 SER A 63 10.471 -8.017 -13.498 1.00 0.56 H new ATOM 0 HG SER A 63 10.312 -10.595 -13.437 1.00 1.23 H new ATOM 933 N LEU A 64 9.833 -8.659 -10.312 1.00 0.39 N ATOM 934 CA LEU A 64 10.592 -8.920 -9.115 1.00 0.38 C ATOM 935 C LEU A 64 9.653 -8.897 -7.917 1.00 0.35 C ATOM 936 O LEU A 64 9.315 -7.833 -7.403 1.00 0.39 O ATOM 937 CB LEU A 64 11.680 -7.857 -8.978 1.00 0.42 C ATOM 938 CG LEU A 64 11.292 -6.462 -9.487 1.00 0.50 C ATOM 939 CD1 LEU A 64 10.756 -5.600 -8.357 1.00 0.78 C ATOM 940 CD2 LEU A 64 12.484 -5.791 -10.154 1.00 0.84 C ATOM 0 H LEU A 64 9.378 -7.746 -10.309 1.00 0.39 H new ATOM 0 HA LEU A 64 11.066 -9.900 -9.166 1.00 0.38 H new ATOM 0 HB2 LEU A 64 11.960 -7.779 -7.928 1.00 0.42 H new ATOM 0 HB3 LEU A 64 12.564 -8.192 -9.520 1.00 0.42 H new ATOM 0 HG LEU A 64 10.499 -6.577 -10.226 1.00 0.50 H new ATOM 0 HD11 LEU A 64 10.489 -4.617 -8.745 1.00 0.78 H new ATOM 0 HD12 LEU A 64 9.873 -6.073 -7.926 1.00 0.78 H new ATOM 0 HD13 LEU A 64 11.521 -5.491 -7.588 1.00 0.78 H new ATOM 0 HD21 LEU A 64 12.193 -4.803 -10.510 1.00 0.84 H new ATOM 0 HD22 LEU A 64 13.296 -5.693 -9.434 1.00 0.84 H new ATOM 0 HD23 LEU A 64 12.818 -6.396 -10.997 1.00 0.84 H new ATOM 952 N ALA A 65 9.210 -10.080 -7.502 1.00 0.38 N ATOM 953 CA ALA A 65 8.283 -10.212 -6.383 1.00 0.42 C ATOM 954 C ALA A 65 8.549 -9.175 -5.293 1.00 0.39 C ATOM 955 O ALA A 65 9.701 -8.822 -5.039 1.00 0.38 O ATOM 956 CB ALA A 65 8.356 -11.616 -5.803 1.00 0.52 C ATOM 0 H ALA A 65 9.480 -10.967 -7.927 1.00 0.38 H new ATOM 0 HA ALA A 65 7.279 -10.032 -6.767 1.00 0.42 H new ATOM 0 HB1 ALA A 65 7.660 -11.702 -4.969 1.00 0.52 H new ATOM 0 HB2 ALA A 65 8.092 -12.342 -6.572 1.00 0.52 H new ATOM 0 HB3 ALA A 65 9.369 -11.812 -5.452 1.00 0.52 H new ATOM 962 N PRO A 66 7.472 -8.666 -4.654 1.00 0.44 N ATOM 963 CA PRO A 66 7.534 -7.657 -3.586 1.00 0.47 C ATOM 964 C PRO A 66 8.748 -7.769 -2.671 1.00 0.45 C ATOM 965 O PRO A 66 9.056 -6.839 -1.944 1.00 0.49 O ATOM 966 CB PRO A 66 6.270 -7.953 -2.795 1.00 0.55 C ATOM 967 CG PRO A 66 5.285 -8.393 -3.817 1.00 0.57 C ATOM 968 CD PRO A 66 6.070 -9.019 -4.950 1.00 0.50 C ATOM 0 HA PRO A 66 7.615 -6.652 -4.001 1.00 0.47 H new ATOM 0 HB2 PRO A 66 6.441 -8.729 -2.049 1.00 0.55 H new ATOM 0 HB3 PRO A 66 5.920 -7.070 -2.261 1.00 0.55 H new ATOM 0 HG2 PRO A 66 4.583 -9.111 -3.392 1.00 0.57 H new ATOM 0 HG3 PRO A 66 4.698 -7.547 -4.176 1.00 0.57 H new ATOM 0 HD2 PRO A 66 5.929 -10.099 -4.983 1.00 0.50 H new ATOM 0 HD3 PRO A 66 5.756 -8.627 -5.917 1.00 0.50 H new ATOM 976 N GLU A 67 9.445 -8.887 -2.709 1.00 0.45 N ATOM 977 CA GLU A 67 10.624 -9.053 -1.884 1.00 0.49 C ATOM 978 C GLU A 67 11.654 -8.030 -2.325 1.00 0.44 C ATOM 979 O GLU A 67 12.105 -7.189 -1.545 1.00 0.47 O ATOM 980 CB GLU A 67 11.158 -10.474 -2.033 1.00 0.52 C ATOM 981 CG GLU A 67 10.089 -11.531 -1.806 1.00 0.71 C ATOM 982 CD GLU A 67 10.580 -12.933 -2.111 1.00 0.77 C ATOM 983 OE1 GLU A 67 11.552 -13.376 -1.462 1.00 1.06 O ATOM 984 OE2 GLU A 67 9.994 -13.589 -2.996 1.00 1.20 O ATOM 0 H GLU A 67 9.218 -9.688 -3.298 1.00 0.45 H new ATOM 0 HA GLU A 67 10.388 -8.896 -0.832 1.00 0.49 H new ATOM 0 HB2 GLU A 67 11.578 -10.597 -3.031 1.00 0.52 H new ATOM 0 HB3 GLU A 67 11.971 -10.628 -1.324 1.00 0.52 H new ATOM 0 HG2 GLU A 67 9.753 -11.485 -0.770 1.00 0.71 H new ATOM 0 HG3 GLU A 67 9.225 -11.309 -2.432 1.00 0.71 H new ATOM 991 N GLU A 68 11.968 -8.084 -3.610 1.00 0.40 N ATOM 992 CA GLU A 68 12.894 -7.156 -4.222 1.00 0.39 C ATOM 993 C GLU A 68 12.207 -5.805 -4.439 1.00 0.35 C ATOM 994 O GLU A 68 12.786 -4.749 -4.179 1.00 0.40 O ATOM 995 CB GLU A 68 13.384 -7.734 -5.551 1.00 0.41 C ATOM 996 CG GLU A 68 13.782 -6.683 -6.563 1.00 0.97 C ATOM 997 CD GLU A 68 15.055 -5.947 -6.186 1.00 1.52 C ATOM 998 OE1 GLU A 68 15.084 -5.334 -5.098 1.00 1.90 O ATOM 999 OE2 GLU A 68 16.021 -5.980 -6.977 1.00 2.06 O ATOM 0 H GLU A 68 11.585 -8.775 -4.255 1.00 0.40 H new ATOM 0 HA GLU A 68 13.751 -7.003 -3.567 1.00 0.39 H new ATOM 0 HB2 GLU A 68 14.238 -8.384 -5.361 1.00 0.41 H new ATOM 0 HB3 GLU A 68 12.598 -8.357 -5.978 1.00 0.41 H new ATOM 0 HG2 GLU A 68 13.917 -7.156 -7.536 1.00 0.97 H new ATOM 0 HG3 GLU A 68 12.971 -5.963 -6.669 1.00 0.97 H new ATOM 1006 N LEU A 69 10.960 -5.854 -4.910 1.00 0.32 N ATOM 1007 CA LEU A 69 10.179 -4.646 -5.157 1.00 0.33 C ATOM 1008 C LEU A 69 10.106 -3.773 -3.901 1.00 0.34 C ATOM 1009 O LEU A 69 10.333 -2.565 -3.968 1.00 0.44 O ATOM 1010 CB LEU A 69 8.778 -5.022 -5.672 1.00 0.38 C ATOM 1011 CG LEU A 69 7.611 -4.200 -5.115 1.00 0.44 C ATOM 1012 CD1 LEU A 69 7.666 -2.771 -5.632 1.00 0.66 C ATOM 1013 CD2 LEU A 69 6.279 -4.851 -5.475 1.00 0.67 C ATOM 0 H LEU A 69 10.470 -6.722 -5.128 1.00 0.32 H new ATOM 0 HA LEU A 69 10.676 -4.056 -5.927 1.00 0.33 H new ATOM 0 HB2 LEU A 69 8.775 -4.929 -6.758 1.00 0.38 H new ATOM 0 HB3 LEU A 69 8.598 -6.072 -5.442 1.00 0.38 H new ATOM 0 HG LEU A 69 7.698 -4.173 -4.029 1.00 0.44 H new ATOM 0 HD11 LEU A 69 6.829 -2.204 -5.225 1.00 0.66 H new ATOM 0 HD12 LEU A 69 8.603 -2.308 -5.322 1.00 0.66 H new ATOM 0 HD13 LEU A 69 7.606 -2.775 -6.720 1.00 0.66 H new ATOM 0 HD21 LEU A 69 5.461 -4.254 -5.071 1.00 0.67 H new ATOM 0 HD22 LEU A 69 6.184 -4.910 -6.559 1.00 0.67 H new ATOM 0 HD23 LEU A 69 6.238 -5.855 -5.052 1.00 0.67 H new ATOM 1025 N LEU A 70 9.810 -4.389 -2.758 1.00 0.39 N ATOM 1026 CA LEU A 70 9.739 -3.655 -1.498 1.00 0.47 C ATOM 1027 C LEU A 70 11.053 -2.942 -1.224 1.00 0.44 C ATOM 1028 O LEU A 70 11.063 -1.767 -0.877 1.00 0.47 O ATOM 1029 CB LEU A 70 9.427 -4.590 -0.324 1.00 0.62 C ATOM 1030 CG LEU A 70 7.985 -4.559 0.186 1.00 0.99 C ATOM 1031 CD1 LEU A 70 7.029 -5.101 -0.862 1.00 1.48 C ATOM 1032 CD2 LEU A 70 7.865 -5.351 1.480 1.00 1.65 C ATOM 0 H LEU A 70 9.617 -5.387 -2.679 1.00 0.39 H new ATOM 0 HA LEU A 70 8.935 -2.925 -1.592 1.00 0.47 H new ATOM 0 HB2 LEU A 70 9.665 -5.611 -0.624 1.00 0.62 H new ATOM 0 HB3 LEU A 70 10.091 -4.338 0.503 1.00 0.62 H new ATOM 0 HG LEU A 70 7.715 -3.522 0.386 1.00 0.99 H new ATOM 0 HD11 LEU A 70 6.010 -5.069 -0.476 1.00 1.48 H new ATOM 0 HD12 LEU A 70 7.095 -4.493 -1.764 1.00 1.48 H new ATOM 0 HD13 LEU A 70 7.295 -6.131 -1.099 1.00 1.48 H new ATOM 0 HD21 LEU A 70 6.834 -5.320 1.831 1.00 1.65 H new ATOM 0 HD22 LEU A 70 8.157 -6.386 1.302 1.00 1.65 H new ATOM 0 HD23 LEU A 70 8.519 -4.915 2.235 1.00 1.65 H new ATOM 1044 N ASN A 71 12.156 -3.672 -1.371 1.00 0.46 N ATOM 1045 CA ASN A 71 13.488 -3.118 -1.125 1.00 0.50 C ATOM 1046 C ASN A 71 13.675 -1.731 -1.742 1.00 0.41 C ATOM 1047 O ASN A 71 14.180 -0.830 -1.082 1.00 0.44 O ATOM 1048 CB ASN A 71 14.569 -4.067 -1.646 1.00 0.59 C ATOM 1049 CG ASN A 71 14.736 -5.292 -0.767 1.00 0.79 C ATOM 1050 OD1 ASN A 71 14.548 -6.470 -1.347 1.00 1.59 O flip ATOM 1051 ND2 ASN A 71 15.037 -5.180 0.421 1.00 0.72 N flip ATOM 0 H ASN A 71 12.155 -4.650 -1.660 1.00 0.46 H new ATOM 0 HA ASN A 71 13.584 -3.009 -0.045 1.00 0.50 H new ATOM 0 HB2 ASN A 71 14.315 -4.381 -2.658 1.00 0.59 H new ATOM 0 HB3 ASN A 71 15.518 -3.534 -1.706 1.00 0.59 H new ATOM 0 HD21 ASN A 71 15.172 -4.254 0.828 1.00 0.72 H new ATOM 0 HD22 ASN A 71 15.151 -6.013 0.999 1.00 0.72 H new ATOM 1058 N HIS A 72 13.285 -1.566 -3.007 1.00 0.37 N ATOM 1059 CA HIS A 72 13.440 -0.286 -3.698 1.00 0.35 C ATOM 1060 C HIS A 72 12.520 0.790 -3.130 1.00 0.32 C ATOM 1061 O HIS A 72 12.975 1.871 -2.759 1.00 0.35 O ATOM 1062 CB HIS A 72 13.180 -0.468 -5.190 1.00 0.39 C ATOM 1063 CG HIS A 72 14.197 -1.335 -5.862 1.00 0.57 C ATOM 1064 ND1 HIS A 72 15.454 -0.889 -6.216 1.00 1.07 N ATOM 1065 CD2 HIS A 72 14.147 -2.638 -6.219 1.00 0.61 C ATOM 1066 CE1 HIS A 72 16.131 -1.881 -6.766 1.00 1.40 C ATOM 1067 NE2 HIS A 72 15.361 -2.953 -6.780 1.00 1.11 N ATOM 0 H HIS A 72 12.860 -2.301 -3.572 1.00 0.37 H new ATOM 0 HA HIS A 72 14.465 0.051 -3.543 1.00 0.35 H new ATOM 0 HB2 HIS A 72 12.191 -0.904 -5.330 1.00 0.39 H new ATOM 0 HB3 HIS A 72 13.169 0.509 -5.673 1.00 0.39 H new ATOM 0 HD1 HIS A 72 15.805 0.058 -6.075 1.00 1.07 H new ATOM 0 HD2 HIS A 72 13.309 -3.307 -6.088 1.00 0.61 H new ATOM 0 HE1 HIS A 72 17.142 -1.825 -7.140 1.00 1.40 H new ATOM 1076 N THR A 73 11.230 0.498 -3.069 1.00 0.34 N ATOM 1077 CA THR A 73 10.264 1.455 -2.541 1.00 0.38 C ATOM 1078 C THR A 73 10.648 1.873 -1.123 1.00 0.36 C ATOM 1079 O THR A 73 10.560 3.048 -0.760 1.00 0.36 O ATOM 1080 CB THR A 73 8.867 0.843 -2.560 1.00 0.47 C ATOM 1081 OG1 THR A 73 8.887 -0.449 -1.981 1.00 0.77 O ATOM 1082 CG2 THR A 73 8.287 0.719 -3.951 1.00 0.61 C ATOM 0 H THR A 73 10.827 -0.388 -3.376 1.00 0.34 H new ATOM 0 HA THR A 73 10.267 2.345 -3.170 1.00 0.38 H new ATOM 0 HB THR A 73 8.239 1.525 -1.987 1.00 0.47 H new ATOM 0 HG1 THR A 73 9.810 -0.695 -1.762 1.00 0.77 H new ATOM 0 HG21 THR A 73 7.293 0.277 -3.892 1.00 0.61 H new ATOM 0 HG22 THR A 73 8.218 1.707 -4.406 1.00 0.61 H new ATOM 0 HG23 THR A 73 8.931 0.084 -4.559 1.00 0.61 H new ATOM 1090 N GLN A 74 11.092 0.900 -0.336 1.00 0.39 N ATOM 1091 CA GLN A 74 11.510 1.143 1.035 1.00 0.42 C ATOM 1092 C GLN A 74 12.930 1.691 1.053 1.00 0.41 C ATOM 1093 O GLN A 74 13.397 2.207 2.066 1.00 0.50 O ATOM 1094 CB GLN A 74 11.444 -0.146 1.858 1.00 0.49 C ATOM 1095 CG GLN A 74 12.565 -1.131 1.553 1.00 1.45 C ATOM 1096 CD GLN A 74 12.503 -2.391 2.401 1.00 1.87 C ATOM 1097 OE1 GLN A 74 13.333 -3.288 2.251 1.00 2.25 O ATOM 1098 NE2 GLN A 74 11.524 -2.469 3.297 1.00 2.54 N ATOM 0 H GLN A 74 11.171 -0.073 -0.630 1.00 0.39 H new ATOM 0 HA GLN A 74 10.833 1.873 1.478 1.00 0.42 H new ATOM 0 HB2 GLN A 74 11.476 0.109 2.917 1.00 0.49 H new ATOM 0 HB3 GLN A 74 10.486 -0.633 1.676 1.00 0.49 H new ATOM 0 HG2 GLN A 74 12.520 -1.407 0.500 1.00 1.45 H new ATOM 0 HG3 GLN A 74 13.525 -0.640 1.713 1.00 1.45 H new ATOM 0 HE21 GLN A 74 10.856 -1.704 3.390 1.00 2.54 H new ATOM 0 HE22 GLN A 74 11.441 -3.294 3.891 1.00 2.54 H new ATOM 1107 N ARG A 75 13.603 1.583 -0.087 1.00 0.37 N ATOM 1108 CA ARG A 75 14.967 2.075 -0.224 1.00 0.41 C ATOM 1109 C ARG A 75 14.937 3.588 -0.177 1.00 0.39 C ATOM 1110 O ARG A 75 15.797 4.237 0.423 1.00 0.43 O ATOM 1111 CB ARG A 75 15.569 1.596 -1.549 1.00 0.48 C ATOM 1112 CG ARG A 75 17.058 1.850 -1.696 1.00 0.89 C ATOM 1113 CD ARG A 75 17.564 1.331 -3.035 1.00 0.88 C ATOM 1114 NE ARG A 75 19.020 1.413 -3.143 1.00 1.59 N ATOM 1115 CZ ARG A 75 19.703 1.020 -4.216 1.00 2.26 C ATOM 1116 NH1 ARG A 75 19.065 0.521 -5.267 1.00 2.72 N ATOM 1117 NH2 ARG A 75 21.024 1.126 -4.238 1.00 3.06 N ATOM 0 H ARG A 75 13.223 1.157 -0.932 1.00 0.37 H new ATOM 0 HA ARG A 75 15.585 1.692 0.588 1.00 0.41 H new ATOM 0 HB2 ARG A 75 15.385 0.527 -1.651 1.00 0.48 H new ATOM 0 HB3 ARG A 75 15.047 2.089 -2.369 1.00 0.48 H new ATOM 0 HG2 ARG A 75 17.259 2.918 -1.615 1.00 0.89 H new ATOM 0 HG3 ARG A 75 17.597 1.362 -0.884 1.00 0.89 H new ATOM 0 HD2 ARG A 75 17.249 0.295 -3.164 1.00 0.88 H new ATOM 0 HD3 ARG A 75 17.108 1.906 -3.841 1.00 0.88 H new ATOM 0 HE ARG A 75 19.541 1.792 -2.352 1.00 1.59 H new ATOM 0 HH11 ARG A 75 18.048 0.438 -5.254 1.00 2.72 H new ATOM 0 HH12 ARG A 75 19.591 0.221 -6.088 1.00 2.72 H new ATOM 0 HH21 ARG A 75 21.518 1.509 -3.432 1.00 3.06 H new ATOM 0 HH22 ARG A 75 21.546 0.825 -5.061 1.00 3.06 H new ATOM 1131 N ILE A 76 13.912 4.135 -0.809 1.00 0.38 N ATOM 1132 CA ILE A 76 13.715 5.565 -0.852 1.00 0.41 C ATOM 1133 C ILE A 76 13.319 6.082 0.521 1.00 0.42 C ATOM 1134 O ILE A 76 13.997 6.938 1.076 1.00 0.44 O ATOM 1135 CB ILE A 76 12.632 5.942 -1.877 1.00 0.45 C ATOM 1136 CG1 ILE A 76 12.904 5.233 -3.207 1.00 0.55 C ATOM 1137 CG2 ILE A 76 12.585 7.451 -2.067 1.00 0.50 C ATOM 1138 CD1 ILE A 76 14.223 5.611 -3.850 1.00 0.83 C ATOM 0 H ILE A 76 13.199 3.599 -1.303 1.00 0.38 H new ATOM 0 HA ILE A 76 14.656 6.025 -1.155 1.00 0.41 H new ATOM 0 HB ILE A 76 11.660 5.618 -1.504 1.00 0.45 H new ATOM 0 HG12 ILE A 76 12.888 4.156 -3.042 1.00 0.55 H new ATOM 0 HG13 ILE A 76 12.095 5.462 -3.901 1.00 0.55 H new ATOM 0 HG21 ILE A 76 11.814 7.702 -2.795 1.00 0.50 H new ATOM 0 HG22 ILE A 76 12.356 7.931 -1.115 1.00 0.50 H new ATOM 0 HG23 ILE A 76 13.552 7.803 -2.427 1.00 0.50 H new ATOM 0 HD11 ILE A 76 14.340 5.066 -4.787 1.00 0.83 H new ATOM 0 HD12 ILE A 76 14.237 6.683 -4.049 1.00 0.83 H new ATOM 0 HD13 ILE A 76 15.042 5.356 -3.177 1.00 0.83 H new ATOM 1150 N GLU A 77 12.227 5.547 1.073 1.00 0.44 N ATOM 1151 CA GLU A 77 11.772 5.969 2.395 1.00 0.47 C ATOM 1152 C GLU A 77 12.881 5.784 3.423 1.00 0.48 C ATOM 1153 O GLU A 77 12.942 6.503 4.420 1.00 0.54 O ATOM 1154 CB GLU A 77 10.503 5.218 2.823 1.00 0.50 C ATOM 1155 CG GLU A 77 10.631 3.701 2.877 1.00 0.66 C ATOM 1156 CD GLU A 77 11.391 3.199 4.092 1.00 0.97 C ATOM 1157 OE1 GLU A 77 11.678 4.018 4.991 1.00 1.43 O ATOM 1158 OE2 GLU A 77 11.722 1.996 4.137 1.00 1.32 O ATOM 0 H GLU A 77 11.650 4.831 0.631 1.00 0.44 H new ATOM 0 HA GLU A 77 11.521 7.028 2.338 1.00 0.47 H new ATOM 0 HB2 GLU A 77 10.204 5.576 3.808 1.00 0.50 H new ATOM 0 HB3 GLU A 77 9.699 5.474 2.133 1.00 0.50 H new ATOM 0 HG2 GLU A 77 9.634 3.260 2.874 1.00 0.66 H new ATOM 0 HG3 GLU A 77 11.135 3.355 1.975 1.00 0.66 H new ATOM 1165 N LEU A 78 13.767 4.828 3.163 1.00 0.45 N ATOM 1166 CA LEU A 78 14.885 4.568 4.059 1.00 0.49 C ATOM 1167 C LEU A 78 15.776 5.800 4.112 1.00 0.49 C ATOM 1168 O LEU A 78 16.306 6.156 5.162 1.00 0.59 O ATOM 1169 CB LEU A 78 15.680 3.345 3.576 1.00 0.53 C ATOM 1170 CG LEU A 78 16.692 2.763 4.572 1.00 0.88 C ATOM 1171 CD1 LEU A 78 17.164 1.396 4.102 1.00 1.66 C ATOM 1172 CD2 LEU A 78 17.886 3.691 4.748 1.00 1.52 C ATOM 0 H LEU A 78 13.732 4.223 2.342 1.00 0.45 H new ATOM 0 HA LEU A 78 14.510 4.353 5.060 1.00 0.49 H new ATOM 0 HB2 LEU A 78 14.973 2.560 3.307 1.00 0.53 H new ATOM 0 HB3 LEU A 78 16.213 3.620 2.666 1.00 0.53 H new ATOM 0 HG LEU A 78 16.194 2.660 5.536 1.00 0.88 H new ATOM 0 HD11 LEU A 78 17.882 0.993 4.817 1.00 1.66 H new ATOM 0 HD12 LEU A 78 16.310 0.723 4.026 1.00 1.66 H new ATOM 0 HD13 LEU A 78 17.639 1.491 3.125 1.00 1.66 H new ATOM 0 HD21 LEU A 78 18.586 3.252 5.459 1.00 1.52 H new ATOM 0 HD22 LEU A 78 18.383 3.830 3.788 1.00 1.52 H new ATOM 0 HD23 LEU A 78 17.545 4.656 5.123 1.00 1.52 H new ATOM 1184 N GLN A 79 15.924 6.453 2.962 1.00 0.47 N ATOM 1185 CA GLN A 79 16.743 7.656 2.864 1.00 0.52 C ATOM 1186 C GLN A 79 15.896 8.873 2.490 1.00 0.53 C ATOM 1187 O GLN A 79 16.428 9.893 2.051 1.00 0.72 O ATOM 1188 CB GLN A 79 17.846 7.452 1.823 1.00 0.63 C ATOM 1189 CG GLN A 79 17.316 7.142 0.433 1.00 1.12 C ATOM 1190 CD GLN A 79 18.422 6.978 -0.590 1.00 1.67 C ATOM 1191 OE1 GLN A 79 19.259 6.083 -0.480 1.00 2.24 O ATOM 1192 NE2 GLN A 79 18.432 7.849 -1.593 1.00 2.32 N ATOM 0 H GLN A 79 15.487 6.168 2.085 1.00 0.47 H new ATOM 0 HA GLN A 79 17.192 7.841 3.840 1.00 0.52 H new ATOM 0 HB2 GLN A 79 18.462 8.350 1.777 1.00 0.63 H new ATOM 0 HB3 GLN A 79 18.494 6.637 2.146 1.00 0.63 H new ATOM 0 HG2 GLN A 79 16.722 6.229 0.470 1.00 1.12 H new ATOM 0 HG3 GLN A 79 16.649 7.943 0.116 1.00 1.12 H new ATOM 0 HE21 GLN A 79 17.718 8.576 -1.645 1.00 2.32 H new ATOM 0 HE22 GLN A 79 19.154 7.791 -2.311 1.00 2.32 H new ATOM 1201 N GLN A 80 14.578 8.764 2.660 1.00 0.61 N ATOM 1202 CA GLN A 80 13.675 9.866 2.333 1.00 0.72 C ATOM 1203 C GLN A 80 12.808 10.244 3.533 1.00 0.88 C ATOM 1204 O GLN A 80 12.229 11.330 3.573 1.00 1.15 O ATOM 1205 CB GLN A 80 12.784 9.507 1.133 1.00 0.74 C ATOM 1206 CG GLN A 80 11.968 10.680 0.613 1.00 1.27 C ATOM 1207 CD GLN A 80 12.832 11.811 0.087 1.00 1.51 C ATOM 1208 OE1 GLN A 80 13.597 12.423 0.832 1.00 2.00 O ATOM 1209 NE2 GLN A 80 12.718 12.091 -1.207 1.00 2.07 N ATOM 0 H GLN A 80 14.115 7.929 3.020 1.00 0.61 H new ATOM 0 HA GLN A 80 14.290 10.726 2.068 1.00 0.72 H new ATOM 0 HB2 GLN A 80 13.410 9.124 0.327 1.00 0.74 H new ATOM 0 HB3 GLN A 80 12.107 8.702 1.421 1.00 0.74 H new ATOM 0 HG2 GLN A 80 11.308 10.333 -0.182 1.00 1.27 H new ATOM 0 HG3 GLN A 80 11.332 11.057 1.414 1.00 1.27 H new ATOM 0 HE21 GLN A 80 12.071 11.559 -1.789 1.00 2.07 H new ATOM 0 HE22 GLN A 80 13.277 12.838 -1.618 1.00 2.07 H new ATOM 1218 N GLY A 81 12.715 9.340 4.508 1.00 0.99 N ATOM 1219 CA GLY A 81 11.910 9.599 5.692 1.00 1.25 C ATOM 1220 C GLY A 81 12.592 10.521 6.689 1.00 1.79 C ATOM 1221 O GLY A 81 12.430 10.354 7.898 1.00 2.18 O ATOM 0 H GLY A 81 13.183 8.434 4.499 1.00 0.99 H new ATOM 0 HA2 GLY A 81 10.961 10.041 5.389 1.00 1.25 H new ATOM 0 HA3 GLY A 81 11.679 8.653 6.181 1.00 1.25 H new ATOM 1429 N THR A 93 6.473 8.251 7.126 1.00 1.14 N ATOM 1430 CA THR A 93 6.554 8.948 5.854 1.00 1.33 C ATOM 1431 C THR A 93 6.231 8.020 4.693 1.00 1.11 C ATOM 1432 O THR A 93 5.752 8.464 3.653 1.00 1.61 O ATOM 1433 CB THR A 93 7.949 9.543 5.668 1.00 1.94 C ATOM 1434 OG1 THR A 93 8.937 8.527 5.708 1.00 2.57 O ATOM 1435 CG2 THR A 93 8.307 10.572 6.720 1.00 2.58 C ATOM 0 HA THR A 93 5.816 9.750 5.865 1.00 1.33 H new ATOM 0 HB THR A 93 7.926 10.034 4.695 1.00 1.94 H new ATOM 0 HG1 THR A 93 8.593 7.755 6.204 1.00 2.57 H new ATOM 0 HG21 THR A 93 9.310 10.954 6.529 1.00 2.58 H new ATOM 0 HG22 THR A 93 7.592 11.394 6.683 1.00 2.58 H new ATOM 0 HG23 THR A 93 8.277 10.109 7.707 1.00 2.58 H new ATOM 1443 N LEU A 94 6.503 6.732 4.857 1.00 0.80 N ATOM 1444 CA LEU A 94 6.244 5.786 3.782 1.00 0.54 C ATOM 1445 C LEU A 94 6.126 4.355 4.300 1.00 0.52 C ATOM 1446 O LEU A 94 6.897 3.923 5.156 1.00 0.65 O ATOM 1447 CB LEU A 94 7.371 5.896 2.757 1.00 0.48 C ATOM 1448 CG LEU A 94 7.061 5.378 1.354 1.00 0.52 C ATOM 1449 CD1 LEU A 94 8.136 5.844 0.387 1.00 1.39 C ATOM 1450 CD2 LEU A 94 6.959 3.861 1.339 1.00 1.37 C ATOM 0 H LEU A 94 6.895 6.325 5.706 1.00 0.80 H new ATOM 0 HA LEU A 94 5.289 6.031 3.318 1.00 0.54 H new ATOM 0 HB2 LEU A 94 7.662 6.944 2.679 1.00 0.48 H new ATOM 0 HB3 LEU A 94 8.236 5.353 3.139 1.00 0.48 H new ATOM 0 HG LEU A 94 6.097 5.780 1.043 1.00 0.52 H new ATOM 0 HD11 LEU A 94 7.912 5.473 -0.613 1.00 1.39 H new ATOM 0 HD12 LEU A 94 8.164 6.934 0.372 1.00 1.39 H new ATOM 0 HD13 LEU A 94 9.105 5.461 0.708 1.00 1.39 H new ATOM 0 HD21 LEU A 94 6.738 3.521 0.327 1.00 1.37 H new ATOM 0 HD22 LEU A 94 7.904 3.430 1.668 1.00 1.37 H new ATOM 0 HD23 LEU A 94 6.162 3.543 2.011 1.00 1.37 H new ATOM 1462 N ASP A 95 5.157 3.629 3.749 1.00 0.49 N ATOM 1463 CA ASP A 95 4.912 2.236 4.116 1.00 0.56 C ATOM 1464 C ASP A 95 4.208 1.524 2.969 1.00 0.48 C ATOM 1465 O ASP A 95 3.049 1.810 2.673 1.00 0.65 O ATOM 1466 CB ASP A 95 4.055 2.152 5.382 1.00 0.87 C ATOM 1467 CG ASP A 95 4.742 2.748 6.595 1.00 1.51 C ATOM 1468 OD1 ASP A 95 5.820 2.244 6.975 1.00 1.92 O ATOM 1469 OD2 ASP A 95 4.202 3.718 7.165 1.00 2.19 O ATOM 0 H ASP A 95 4.521 3.988 3.037 1.00 0.49 H new ATOM 0 HA ASP A 95 5.869 1.754 4.315 1.00 0.56 H new ATOM 0 HB2 ASP A 95 3.112 2.671 5.212 1.00 0.87 H new ATOM 0 HB3 ASP A 95 3.813 1.108 5.583 1.00 0.87 H new ATOM 1474 N LEU A 96 4.915 0.614 2.303 1.00 0.48 N ATOM 1475 CA LEU A 96 4.333 -0.099 1.169 1.00 0.63 C ATOM 1476 C LEU A 96 4.371 -1.617 1.340 1.00 0.60 C ATOM 1477 O LEU A 96 5.371 -2.190 1.773 1.00 0.76 O ATOM 1478 CB LEU A 96 5.033 0.317 -0.137 1.00 0.97 C ATOM 1479 CG LEU A 96 6.464 -0.206 -0.364 1.00 0.98 C ATOM 1480 CD1 LEU A 96 7.323 -0.064 0.885 1.00 1.91 C ATOM 1481 CD2 LEU A 96 6.447 -1.648 -0.853 1.00 2.04 C ATOM 0 H LEU A 96 5.877 0.356 2.524 1.00 0.48 H new ATOM 0 HA LEU A 96 3.281 0.182 1.121 1.00 0.63 H new ATOM 0 HB2 LEU A 96 4.416 -0.014 -0.972 1.00 0.97 H new ATOM 0 HB3 LEU A 96 5.061 1.406 -0.174 1.00 0.97 H new ATOM 0 HG LEU A 96 6.915 0.411 -1.141 1.00 0.98 H new ATOM 0 HD11 LEU A 96 8.324 -0.444 0.683 1.00 1.91 H new ATOM 0 HD12 LEU A 96 7.384 0.987 1.167 1.00 1.91 H new ATOM 0 HD13 LEU A 96 6.876 -0.633 1.700 1.00 1.91 H new ATOM 0 HD21 LEU A 96 7.470 -1.993 -1.005 1.00 2.04 H new ATOM 0 HD22 LEU A 96 5.959 -2.278 -0.110 1.00 2.04 H new ATOM 0 HD23 LEU A 96 5.900 -1.707 -1.794 1.00 2.04 H new ATOM 1493 N ASP A 97 3.264 -2.256 0.971 1.00 0.55 N ATOM 1494 CA ASP A 97 3.129 -3.707 1.037 1.00 0.62 C ATOM 1495 C ASP A 97 2.191 -4.186 -0.067 1.00 0.56 C ATOM 1496 O ASP A 97 1.107 -3.634 -0.249 1.00 0.70 O ATOM 1497 CB ASP A 97 2.622 -4.147 2.414 1.00 0.79 C ATOM 1498 CG ASP A 97 1.340 -3.445 2.823 1.00 1.45 C ATOM 1499 OD1 ASP A 97 0.312 -3.643 2.140 1.00 2.17 O ATOM 1500 OD2 ASP A 97 1.361 -2.699 3.823 1.00 1.98 O ATOM 0 H ASP A 97 2.434 -1.780 0.617 1.00 0.55 H new ATOM 0 HA ASP A 97 4.109 -4.159 0.888 1.00 0.62 H new ATOM 0 HB2 ASP A 97 2.454 -5.224 2.407 1.00 0.79 H new ATOM 0 HB3 ASP A 97 3.392 -3.949 3.159 1.00 0.79 H new ATOM 1505 N ILE A 98 2.618 -5.194 -0.819 1.00 0.69 N ATOM 1506 CA ILE A 98 1.808 -5.709 -1.915 1.00 0.63 C ATOM 1507 C ILE A 98 0.927 -6.867 -1.463 1.00 0.67 C ATOM 1508 O ILE A 98 1.409 -7.838 -0.881 1.00 0.93 O ATOM 1509 CB ILE A 98 2.680 -6.160 -3.106 1.00 0.74 C ATOM 1510 CG1 ILE A 98 3.454 -4.980 -3.691 1.00 1.91 C ATOM 1511 CG2 ILE A 98 1.828 -6.817 -4.179 1.00 1.40 C ATOM 1512 CD1 ILE A 98 4.491 -4.404 -2.752 1.00 2.73 C ATOM 0 H ILE A 98 3.513 -5.667 -0.691 1.00 0.69 H new ATOM 0 HA ILE A 98 1.170 -4.888 -2.241 1.00 0.63 H new ATOM 0 HB ILE A 98 3.398 -6.893 -2.738 1.00 0.74 H new ATOM 0 HG12 ILE A 98 3.947 -5.300 -4.609 1.00 1.91 H new ATOM 0 HG13 ILE A 98 2.749 -4.195 -3.965 1.00 1.91 H new ATOM 0 HG21 ILE A 98 2.463 -7.127 -5.009 1.00 1.40 H new ATOM 0 HG22 ILE A 98 1.326 -7.689 -3.761 1.00 1.40 H new ATOM 0 HG23 ILE A 98 1.083 -6.107 -4.538 1.00 1.40 H new ATOM 0 HD11 ILE A 98 4.999 -3.571 -3.238 1.00 2.73 H new ATOM 0 HD12 ILE A 98 4.003 -4.052 -1.843 1.00 2.73 H new ATOM 0 HD13 ILE A 98 5.219 -5.174 -2.498 1.00 2.73 H new ATOM 1524 N MET A 99 -0.369 -6.751 -1.738 1.00 0.53 N ATOM 1525 CA MET A 99 -1.326 -7.779 -1.363 1.00 0.63 C ATOM 1526 C MET A 99 -1.567 -8.753 -2.512 1.00 0.63 C ATOM 1527 O MET A 99 -1.968 -9.890 -2.289 1.00 0.87 O ATOM 1528 CB MET A 99 -2.657 -7.140 -0.955 1.00 0.70 C ATOM 1529 CG MET A 99 -2.549 -6.086 0.141 1.00 0.93 C ATOM 1530 SD MET A 99 -2.155 -6.772 1.765 1.00 1.77 S ATOM 1531 CE MET A 99 -0.401 -7.096 1.610 1.00 2.48 C ATOM 0 H MET A 99 -0.778 -5.951 -2.221 1.00 0.53 H new ATOM 0 HA MET A 99 -0.909 -8.329 -0.520 1.00 0.63 H new ATOM 0 HB2 MET A 99 -3.110 -6.684 -1.835 1.00 0.70 H new ATOM 0 HB3 MET A 99 -3.334 -7.926 -0.619 1.00 0.70 H new ATOM 0 HG2 MET A 99 -1.781 -5.363 -0.135 1.00 0.93 H new ATOM 0 HG3 MET A 99 -3.491 -5.541 0.204 1.00 0.93 H new ATOM 0 HE1 MET A 99 0.071 -7.019 2.589 1.00 2.48 H new ATOM 0 HE2 MET A 99 -0.250 -8.100 1.213 1.00 2.48 H new ATOM 0 HE3 MET A 99 0.045 -6.367 0.934 1.00 2.48 H new ATOM 1541 N LEU A 100 -1.349 -8.296 -3.746 1.00 0.51 N ATOM 1542 CA LEU A 100 -1.584 -9.155 -4.920 1.00 0.55 C ATOM 1543 C LEU A 100 -0.354 -9.284 -5.817 1.00 0.54 C ATOM 1544 O LEU A 100 0.310 -8.293 -6.108 1.00 0.76 O ATOM 1545 CB LEU A 100 -2.735 -8.598 -5.768 1.00 0.75 C ATOM 1546 CG LEU A 100 -4.134 -8.680 -5.152 1.00 1.12 C ATOM 1547 CD1 LEU A 100 -4.490 -10.120 -4.821 1.00 1.87 C ATOM 1548 CD2 LEU A 100 -4.241 -7.796 -3.919 1.00 1.69 C ATOM 0 H LEU A 100 -1.017 -7.356 -3.962 1.00 0.51 H new ATOM 0 HA LEU A 100 -1.830 -10.142 -4.527 1.00 0.55 H new ATOM 0 HB2 LEU A 100 -2.520 -7.553 -5.991 1.00 0.75 H new ATOM 0 HB3 LEU A 100 -2.748 -9.131 -6.719 1.00 0.75 H new ATOM 0 HG LEU A 100 -4.850 -8.313 -5.887 1.00 1.12 H new ATOM 0 HD11 LEU A 100 -5.488 -10.157 -4.384 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -4.470 -10.718 -5.732 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -3.767 -10.519 -4.109 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -5.245 -7.873 -3.502 1.00 1.69 H new ATOM 0 HD22 LEU A 100 -3.513 -8.119 -3.175 1.00 1.69 H new ATOM 0 HD23 LEU A 100 -4.042 -6.761 -4.195 1.00 1.69 H new ATOM 1560 N PHE A 101 -0.069 -10.503 -6.291 1.00 0.46 N ATOM 1561 CA PHE A 101 1.062 -10.708 -7.196 1.00 0.46 C ATOM 1562 C PHE A 101 0.620 -11.460 -8.453 1.00 0.51 C ATOM 1563 O PHE A 101 0.978 -12.619 -8.665 1.00 0.58 O ATOM 1564 CB PHE A 101 2.202 -11.460 -6.500 1.00 0.45 C ATOM 1565 CG PHE A 101 3.448 -11.576 -7.334 1.00 0.51 C ATOM 1566 CD1 PHE A 101 4.027 -10.450 -7.895 1.00 0.56 C ATOM 1567 CD2 PHE A 101 4.039 -12.810 -7.556 1.00 0.58 C ATOM 1568 CE1 PHE A 101 5.174 -10.551 -8.660 1.00 0.65 C ATOM 1569 CE2 PHE A 101 5.184 -12.918 -8.320 1.00 0.68 C ATOM 1570 CZ PHE A 101 5.751 -11.794 -8.874 1.00 0.71 C ATOM 0 H PHE A 101 -0.597 -11.347 -6.067 1.00 0.46 H new ATOM 0 HA PHE A 101 1.433 -9.726 -7.489 1.00 0.46 H new ATOM 0 HB2 PHE A 101 2.446 -10.950 -5.568 1.00 0.45 H new ATOM 0 HB3 PHE A 101 1.858 -12.460 -6.236 1.00 0.45 H new ATOM 0 HD1 PHE A 101 3.577 -9.482 -7.733 1.00 0.56 H new ATOM 0 HD2 PHE A 101 3.599 -13.698 -7.126 1.00 0.58 H new ATOM 0 HE1 PHE A 101 5.619 -9.666 -9.089 1.00 0.65 H new ATOM 0 HE2 PHE A 101 5.635 -13.886 -8.483 1.00 0.68 H new ATOM 0 HZ PHE A 101 6.644 -11.879 -9.475 1.00 0.71 H new ATOM 1580 N GLY A 102 -0.157 -10.775 -9.290 1.00 0.54 N ATOM 1581 CA GLY A 102 -0.643 -11.358 -10.531 1.00 0.65 C ATOM 1582 C GLY A 102 -1.921 -12.158 -10.359 1.00 0.67 C ATOM 1583 O GLY A 102 -2.727 -12.230 -11.285 1.00 0.99 O ATOM 0 H GLY A 102 -0.462 -9.815 -9.128 1.00 0.54 H new ATOM 0 HA2 GLY A 102 -0.816 -10.562 -11.255 1.00 0.65 H new ATOM 0 HA3 GLY A 102 0.129 -12.005 -10.947 1.00 0.65 H new ATOM 1587 N ASN A 103 -2.062 -12.772 -9.177 1.00 0.58 N ATOM 1588 CA ASN A 103 -3.203 -13.628 -8.802 1.00 0.64 C ATOM 1589 C ASN A 103 -2.697 -15.042 -8.632 1.00 0.71 C ATOM 1590 O ASN A 103 -3.433 -16.020 -8.763 1.00 1.08 O ATOM 1591 CB ASN A 103 -4.362 -13.588 -9.806 1.00 0.78 C ATOM 1592 CG ASN A 103 -5.291 -12.411 -9.573 1.00 1.18 C ATOM 1593 OD1 ASN A 103 -5.157 -11.768 -8.418 1.00 2.12 O flip ATOM 1594 ND2 ASN A 103 -6.136 -12.099 -10.413 1.00 1.38 N flip ATOM 0 H ASN A 103 -1.369 -12.687 -8.433 1.00 0.58 H new ATOM 0 HA ASN A 103 -3.616 -13.243 -7.870 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -3.960 -13.535 -10.818 1.00 0.78 H new ATOM 0 HB3 ASN A 103 -4.931 -14.515 -9.737 1.00 0.78 H new ATOM 0 HD21 ASN A 103 -6.203 -12.621 -11.287 1.00 1.38 H new ATOM 0 HD22 ASN A 103 -6.768 -11.319 -10.235 1.00 1.38 H new ATOM 1601 N GLU A 104 -1.413 -15.113 -8.330 1.00 0.53 N ATOM 1602 CA GLU A 104 -0.720 -16.360 -8.118 1.00 0.61 C ATOM 1603 C GLU A 104 -0.557 -16.573 -6.623 1.00 0.64 C ATOM 1604 O GLU A 104 -0.191 -15.650 -5.907 1.00 0.84 O ATOM 1605 CB GLU A 104 0.642 -16.278 -8.804 1.00 0.70 C ATOM 1606 CG GLU A 104 1.299 -17.622 -9.057 1.00 1.16 C ATOM 1607 CD GLU A 104 1.552 -18.416 -7.792 1.00 1.28 C ATOM 1608 OE1 GLU A 104 2.307 -17.929 -6.927 1.00 1.87 O ATOM 1609 OE2 GLU A 104 0.995 -19.526 -7.666 1.00 1.79 O ATOM 0 H GLU A 104 -0.818 -14.291 -8.225 1.00 0.53 H new ATOM 0 HA GLU A 104 -1.278 -17.198 -8.536 1.00 0.61 H new ATOM 0 HB2 GLU A 104 0.525 -15.760 -9.756 1.00 0.70 H new ATOM 0 HB3 GLU A 104 1.308 -15.671 -8.190 1.00 0.70 H new ATOM 0 HG2 GLU A 104 0.666 -18.207 -9.724 1.00 1.16 H new ATOM 0 HG3 GLU A 104 2.246 -17.464 -9.573 1.00 1.16 H new ATOM 1616 N VAL A 105 -0.832 -17.771 -6.143 1.00 0.62 N ATOM 1617 CA VAL A 105 -0.712 -18.036 -4.720 1.00 0.66 C ATOM 1618 C VAL A 105 0.744 -18.197 -4.340 1.00 0.70 C ATOM 1619 O VAL A 105 1.339 -19.261 -4.522 1.00 0.83 O ATOM 1620 CB VAL A 105 -1.498 -19.291 -4.292 1.00 0.75 C ATOM 1621 CG1 VAL A 105 -1.423 -19.481 -2.784 1.00 1.18 C ATOM 1622 CG2 VAL A 105 -2.944 -19.199 -4.756 1.00 0.95 C ATOM 0 H VAL A 105 -1.135 -18.566 -6.706 1.00 0.62 H new ATOM 0 HA VAL A 105 -1.140 -17.181 -4.197 1.00 0.66 H new ATOM 0 HB VAL A 105 -1.044 -20.161 -4.766 1.00 0.75 H new ATOM 0 HG11 VAL A 105 -1.984 -20.372 -2.501 1.00 1.18 H new ATOM 0 HG12 VAL A 105 -0.382 -19.597 -2.483 1.00 1.18 H new ATOM 0 HG13 VAL A 105 -1.850 -18.610 -2.286 1.00 1.18 H new ATOM 0 HG21 VAL A 105 -3.484 -20.094 -4.445 1.00 0.95 H new ATOM 0 HG22 VAL A 105 -3.413 -18.320 -4.313 1.00 0.95 H new ATOM 0 HG23 VAL A 105 -2.973 -19.117 -5.843 1.00 0.95 H new ATOM 1632 N ILE A 106 1.320 -17.118 -3.843 1.00 0.65 N ATOM 1633 CA ILE A 106 2.718 -17.108 -3.469 1.00 0.72 C ATOM 1634 C ILE A 106 2.941 -16.292 -2.204 1.00 0.77 C ATOM 1635 O ILE A 106 2.845 -15.064 -2.212 1.00 0.84 O ATOM 1636 CB ILE A 106 3.545 -16.552 -4.639 1.00 0.81 C ATOM 1637 CG1 ILE A 106 5.024 -16.464 -4.307 1.00 0.76 C ATOM 1638 CG2 ILE A 106 3.017 -15.192 -5.066 1.00 1.33 C ATOM 1639 CD1 ILE A 106 5.832 -16.017 -5.498 1.00 0.76 C ATOM 0 H ILE A 106 0.836 -16.233 -3.689 1.00 0.65 H new ATOM 0 HA ILE A 106 3.040 -18.127 -3.254 1.00 0.72 H new ATOM 0 HB ILE A 106 3.440 -17.252 -5.468 1.00 0.81 H new ATOM 0 HG12 ILE A 106 5.172 -15.766 -3.483 1.00 0.76 H new ATOM 0 HG13 ILE A 106 5.380 -17.437 -3.969 1.00 0.76 H new ATOM 0 HG21 ILE A 106 3.615 -14.814 -5.895 1.00 1.33 H new ATOM 0 HG22 ILE A 106 1.978 -15.288 -5.381 1.00 1.33 H new ATOM 0 HG23 ILE A 106 3.079 -14.498 -4.228 1.00 1.33 H new ATOM 0 HD11 ILE A 106 6.886 -15.965 -5.224 1.00 0.76 H new ATOM 0 HD12 ILE A 106 5.704 -16.729 -6.313 1.00 0.76 H new ATOM 0 HD13 ILE A 106 5.492 -15.033 -5.820 1.00 0.76 H new ATOM 1651 N ASN A 107 3.215 -16.990 -1.107 1.00 0.80 N ATOM 1652 CA ASN A 107 3.425 -16.333 0.173 1.00 0.91 C ATOM 1653 C ASN A 107 4.757 -16.730 0.796 1.00 0.92 C ATOM 1654 O ASN A 107 5.116 -17.907 0.830 1.00 1.03 O ATOM 1655 CB ASN A 107 2.288 -16.684 1.129 1.00 1.00 C ATOM 1656 CG ASN A 107 0.958 -16.794 0.422 1.00 1.11 C ATOM 1657 OD1 ASN A 107 0.102 -15.815 0.648 1.00 1.79 O flip ATOM 1658 ND2 ASN A 107 0.712 -17.735 -0.331 1.00 1.12 N flip ATOM 0 H ASN A 107 3.296 -18.006 -1.081 1.00 0.80 H new ATOM 0 HA ASN A 107 3.442 -15.258 -0.004 1.00 0.91 H new ATOM 0 HB2 ASN A 107 2.512 -17.628 1.626 1.00 1.00 H new ATOM 0 HB3 ASN A 107 2.222 -15.923 1.906 1.00 1.00 H new ATOM 0 HD21 ASN A 107 1.406 -18.469 -0.474 1.00 1.12 H new ATOM 0 HD22 ASN A 107 -0.186 -17.782 -0.812 1.00 1.12 H new ATOM 1665 N THR A 108 5.473 -15.733 1.302 1.00 0.92 N ATOM 1666 CA THR A 108 6.764 -15.957 1.950 1.00 1.01 C ATOM 1667 C THR A 108 6.986 -14.922 3.048 1.00 1.15 C ATOM 1668 O THR A 108 8.124 -14.577 3.368 1.00 1.79 O ATOM 1669 CB THR A 108 7.911 -15.888 0.936 1.00 1.00 C ATOM 1670 OG1 THR A 108 8.005 -14.594 0.373 1.00 1.66 O ATOM 1671 CG2 THR A 108 7.773 -16.874 -0.204 1.00 1.26 C ATOM 0 H THR A 108 5.181 -14.756 1.277 1.00 0.92 H new ATOM 0 HA THR A 108 6.752 -16.955 2.388 1.00 1.01 H new ATOM 0 HB THR A 108 8.807 -16.141 1.503 1.00 1.00 H new ATOM 0 HG1 THR A 108 8.744 -14.570 -0.270 1.00 1.66 H new ATOM 0 HG21 THR A 108 8.620 -16.768 -0.882 1.00 1.26 H new ATOM 0 HG22 THR A 108 7.751 -17.889 0.193 1.00 1.26 H new ATOM 0 HG23 THR A 108 6.848 -16.677 -0.746 1.00 1.26 H new ATOM 1679 N GLU A 109 5.881 -14.428 3.610 1.00 0.95 N ATOM 1680 CA GLU A 109 5.916 -13.424 4.672 1.00 1.05 C ATOM 1681 C GLU A 109 6.291 -12.046 4.126 1.00 1.06 C ATOM 1682 O GLU A 109 5.999 -11.025 4.749 1.00 1.32 O ATOM 1683 CB GLU A 109 6.888 -13.840 5.784 1.00 1.20 C ATOM 1684 CG GLU A 109 6.919 -12.883 6.965 1.00 1.46 C ATOM 1685 CD GLU A 109 5.570 -12.745 7.642 1.00 2.13 C ATOM 1686 OE1 GLU A 109 5.038 -13.770 8.122 1.00 2.74 O ATOM 1687 OE2 GLU A 109 5.045 -11.612 7.695 1.00 2.57 O ATOM 0 H GLU A 109 4.939 -14.713 3.341 1.00 0.95 H new ATOM 0 HA GLU A 109 4.913 -13.358 5.093 1.00 1.05 H new ATOM 0 HB2 GLU A 109 6.613 -14.833 6.141 1.00 1.20 H new ATOM 0 HB3 GLU A 109 7.891 -13.918 5.366 1.00 1.20 H new ATOM 0 HG2 GLU A 109 7.652 -13.233 7.692 1.00 1.46 H new ATOM 0 HG3 GLU A 109 7.252 -11.903 6.624 1.00 1.46 H new ATOM 1694 N ARG A 110 6.921 -12.019 2.954 1.00 0.93 N ATOM 1695 CA ARG A 110 7.313 -10.760 2.332 1.00 0.97 C ATOM 1696 C ARG A 110 6.281 -10.346 1.298 1.00 0.79 C ATOM 1697 O ARG A 110 6.261 -9.200 0.846 1.00 0.87 O ATOM 1698 CB ARG A 110 8.694 -10.877 1.680 1.00 1.17 C ATOM 1699 CG ARG A 110 9.251 -9.554 1.167 1.00 1.05 C ATOM 1700 CD ARG A 110 9.650 -8.622 2.304 1.00 1.57 C ATOM 1701 NE ARG A 110 8.498 -8.154 3.072 1.00 2.14 N ATOM 1702 CZ ARG A 110 8.592 -7.339 4.120 1.00 2.68 C ATOM 1703 NH1 ARG A 110 9.778 -6.900 4.520 1.00 2.96 N ATOM 1704 NH2 ARG A 110 7.498 -6.957 4.764 1.00 3.52 N ATOM 0 H ARG A 110 7.169 -12.851 2.419 1.00 0.93 H new ATOM 0 HA ARG A 110 7.367 -9.998 3.109 1.00 0.97 H new ATOM 0 HB2 ARG A 110 9.392 -11.297 2.404 1.00 1.17 H new ATOM 0 HB3 ARG A 110 8.634 -11.581 0.850 1.00 1.17 H new ATOM 0 HG2 ARG A 110 10.118 -9.747 0.535 1.00 1.05 H new ATOM 0 HG3 ARG A 110 8.504 -9.064 0.542 1.00 1.05 H new ATOM 0 HD2 ARG A 110 10.340 -9.140 2.969 1.00 1.57 H new ATOM 0 HD3 ARG A 110 10.184 -7.764 1.896 1.00 1.57 H new ATOM 0 HE ARG A 110 7.570 -8.470 2.789 1.00 2.14 H new ATOM 0 HH11 ARG A 110 10.622 -7.187 4.024 1.00 2.96 H new ATOM 0 HH12 ARG A 110 9.846 -6.275 5.324 1.00 2.96 H new ATOM 0 HH21 ARG A 110 6.583 -7.288 4.456 1.00 3.52 H new ATOM 0 HH22 ARG A 110 7.571 -6.332 5.567 1.00 3.52 H new ATOM 1718 N LEU A 111 5.416 -11.283 0.936 1.00 0.72 N ATOM 1719 CA LEU A 111 4.374 -11.010 -0.036 1.00 0.75 C ATOM 1720 C LEU A 111 3.307 -12.096 -0.012 1.00 0.66 C ATOM 1721 O LEU A 111 3.578 -13.267 -0.281 1.00 0.70 O ATOM 1722 CB LEU A 111 4.961 -10.884 -1.443 1.00 0.95 C ATOM 1723 CG LEU A 111 5.389 -12.198 -2.105 1.00 0.69 C ATOM 1724 CD1 LEU A 111 5.689 -11.980 -3.575 1.00 0.95 C ATOM 1725 CD2 LEU A 111 6.598 -12.784 -1.400 1.00 1.36 C ATOM 0 H LEU A 111 5.417 -12.235 1.301 1.00 0.72 H new ATOM 0 HA LEU A 111 3.910 -10.062 0.235 1.00 0.75 H new ATOM 0 HB2 LEU A 111 4.223 -10.400 -2.083 1.00 0.95 H new ATOM 0 HB3 LEU A 111 5.826 -10.223 -1.398 1.00 0.95 H new ATOM 0 HG LEU A 111 4.565 -12.907 -2.021 1.00 0.69 H new ATOM 0 HD11 LEU A 111 5.991 -12.924 -4.029 1.00 0.95 H new ATOM 0 HD12 LEU A 111 4.797 -11.606 -4.077 1.00 0.95 H new ATOM 0 HD13 LEU A 111 6.495 -11.253 -3.678 1.00 0.95 H new ATOM 0 HD21 LEU A 111 6.886 -13.717 -1.885 1.00 1.36 H new ATOM 0 HD22 LEU A 111 7.427 -12.078 -1.451 1.00 1.36 H new ATOM 0 HD23 LEU A 111 6.351 -12.979 -0.356 1.00 1.36 H new ATOM 1737 N THR A 112 2.089 -11.698 0.309 1.00 0.71 N ATOM 1738 CA THR A 112 0.972 -12.628 0.358 1.00 0.67 C ATOM 1739 C THR A 112 -0.091 -12.227 -0.663 1.00 0.66 C ATOM 1740 O THR A 112 -0.819 -11.257 -0.463 1.00 0.82 O ATOM 1741 CB THR A 112 0.377 -12.671 1.768 1.00 0.74 C ATOM 1742 OG1 THR A 112 -0.798 -13.460 1.794 1.00 0.75 O ATOM 1743 CG2 THR A 112 0.029 -11.306 2.322 1.00 0.83 C ATOM 0 H THR A 112 1.847 -10.735 0.540 1.00 0.71 H new ATOM 0 HA THR A 112 1.333 -13.626 0.108 1.00 0.67 H new ATOM 0 HB THR A 112 1.158 -13.104 2.392 1.00 0.74 H new ATOM 0 HG1 THR A 112 -0.610 -14.340 1.405 1.00 0.75 H new ATOM 0 HG21 THR A 112 -0.387 -11.415 3.324 1.00 0.83 H new ATOM 0 HG22 THR A 112 0.928 -10.692 2.368 1.00 0.83 H new ATOM 0 HG23 THR A 112 -0.705 -10.827 1.674 1.00 0.83 H new ATOM 1751 N VAL A 113 -0.174 -12.981 -1.757 1.00 0.60 N ATOM 1752 CA VAL A 113 -1.153 -12.695 -2.800 1.00 0.61 C ATOM 1753 C VAL A 113 -2.558 -12.869 -2.245 1.00 0.64 C ATOM 1754 O VAL A 113 -3.345 -11.927 -2.260 1.00 0.80 O ATOM 1755 CB VAL A 113 -0.933 -13.571 -4.039 1.00 0.64 C ATOM 1756 CG1 VAL A 113 -2.031 -13.346 -5.066 1.00 1.27 C ATOM 1757 CG2 VAL A 113 0.427 -13.270 -4.629 1.00 1.38 C ATOM 0 H VAL A 113 0.421 -13.789 -1.943 1.00 0.60 H new ATOM 0 HA VAL A 113 -1.025 -11.661 -3.119 1.00 0.61 H new ATOM 0 HB VAL A 113 -0.971 -14.620 -3.745 1.00 0.64 H new ATOM 0 HG11 VAL A 113 -1.852 -13.979 -5.935 1.00 1.27 H new ATOM 0 HG12 VAL A 113 -2.997 -13.597 -4.627 1.00 1.27 H new ATOM 0 HG13 VAL A 113 -2.033 -12.300 -5.373 1.00 1.27 H new ATOM 0 HG21 VAL A 113 0.587 -13.891 -5.510 1.00 1.38 H new ATOM 0 HG22 VAL A 113 0.476 -12.219 -4.912 1.00 1.38 H new ATOM 0 HG23 VAL A 113 1.199 -13.483 -3.890 1.00 1.38 H new ATOM 1767 N PRO A 114 -2.891 -14.055 -1.690 1.00 0.61 N ATOM 1768 CA PRO A 114 -4.200 -14.273 -1.072 1.00 0.70 C ATOM 1769 C PRO A 114 -4.454 -13.181 -0.037 1.00 0.76 C ATOM 1770 O PRO A 114 -5.577 -12.975 0.414 1.00 0.88 O ATOM 1771 CB PRO A 114 -4.056 -15.650 -0.425 1.00 0.68 C ATOM 1772 CG PRO A 114 -3.029 -16.321 -1.265 1.00 0.83 C ATOM 1773 CD PRO A 114 -2.033 -15.245 -1.575 1.00 0.63 C ATOM 0 HA PRO A 114 -5.040 -14.236 -1.766 1.00 0.70 H new ATOM 0 HB2 PRO A 114 -3.737 -15.574 0.615 1.00 0.68 H new ATOM 0 HB3 PRO A 114 -4.999 -16.197 -0.430 1.00 0.68 H new ATOM 0 HG2 PRO A 114 -2.563 -17.151 -0.734 1.00 0.83 H new ATOM 0 HG3 PRO A 114 -3.467 -16.730 -2.175 1.00 0.83 H new ATOM 0 HD2 PRO A 114 -1.290 -15.137 -0.785 1.00 0.63 H new ATOM 0 HD3 PRO A 114 -1.489 -15.446 -2.498 1.00 0.63 H new ATOM 1781 N HIS A 115 -3.363 -12.461 0.268 1.00 0.82 N ATOM 1782 CA HIS A 115 -3.337 -11.313 1.177 1.00 0.95 C ATOM 1783 C HIS A 115 -4.122 -11.487 2.473 1.00 0.86 C ATOM 1784 O HIS A 115 -5.323 -11.739 2.482 1.00 0.88 O ATOM 1785 CB HIS A 115 -3.783 -10.049 0.425 1.00 1.14 C ATOM 1786 CG HIS A 115 -5.077 -10.189 -0.320 1.00 2.17 C ATOM 1787 ND1 HIS A 115 -6.252 -10.598 0.268 1.00 3.14 N ATOM 1788 CD2 HIS A 115 -5.370 -9.971 -1.622 1.00 2.95 C ATOM 1789 CE1 HIS A 115 -7.209 -10.630 -0.639 1.00 4.09 C ATOM 1790 NE2 HIS A 115 -6.700 -10.253 -1.794 1.00 3.97 N ATOM 0 H HIS A 115 -2.446 -12.672 -0.126 1.00 0.82 H new ATOM 0 HA HIS A 115 -2.302 -11.218 1.504 1.00 0.95 H new ATOM 0 HB2 HIS A 115 -3.877 -9.231 1.140 1.00 1.14 H new ATOM 0 HB3 HIS A 115 -3.001 -9.767 -0.281 1.00 1.14 H new ATOM 0 HD1 HIS A 115 -6.365 -10.839 1.253 1.00 3.14 H new ATOM 0 HD2 HIS A 115 -4.683 -9.637 -2.385 1.00 2.95 H new ATOM 0 HE1 HIS A 115 -8.236 -10.917 -0.464 1.00 4.09 H new ATOM 1799 N TYR A 116 -3.400 -11.305 3.575 1.00 1.04 N ATOM 1800 CA TYR A 116 -3.970 -11.389 4.912 1.00 1.14 C ATOM 1801 C TYR A 116 -3.939 -10.006 5.567 1.00 1.04 C ATOM 1802 O TYR A 116 -3.076 -9.189 5.245 1.00 1.47 O ATOM 1803 CB TYR A 116 -3.185 -12.396 5.760 1.00 1.62 C ATOM 1804 CG TYR A 116 -3.746 -12.600 7.151 1.00 2.18 C ATOM 1805 CD1 TYR A 116 -5.093 -12.878 7.348 1.00 2.56 C ATOM 1806 CD2 TYR A 116 -2.924 -12.522 8.269 1.00 3.06 C ATOM 1807 CE1 TYR A 116 -5.605 -13.069 8.617 1.00 3.50 C ATOM 1808 CE2 TYR A 116 -3.428 -12.712 9.542 1.00 4.05 C ATOM 1809 CZ TYR A 116 -4.768 -12.984 9.711 1.00 4.18 C ATOM 1810 OH TYR A 116 -5.273 -13.175 10.976 1.00 5.29 O ATOM 0 H TYR A 116 -2.402 -11.095 3.564 1.00 1.04 H new ATOM 0 HA TYR A 116 -5.003 -11.729 4.842 1.00 1.14 H new ATOM 0 HB2 TYR A 116 -3.167 -13.355 5.242 1.00 1.62 H new ATOM 0 HB3 TYR A 116 -2.152 -12.059 5.842 1.00 1.62 H new ATOM 0 HD1 TYR A 116 -5.751 -12.946 6.494 1.00 2.56 H new ATOM 0 HD2 TYR A 116 -1.873 -12.309 8.141 1.00 3.06 H new ATOM 0 HE1 TYR A 116 -6.655 -13.284 8.752 1.00 3.50 H new ATOM 0 HE2 TYR A 116 -2.775 -12.648 10.400 1.00 4.05 H new ATOM 0 HH TYR A 116 -4.552 -13.082 11.633 1.00 5.29 H new ATOM 1820 N ASP A 117 -4.893 -9.754 6.467 1.00 0.77 N ATOM 1821 CA ASP A 117 -5.003 -8.474 7.174 1.00 0.80 C ATOM 1822 C ASP A 117 -5.738 -7.450 6.320 1.00 0.72 C ATOM 1823 O ASP A 117 -6.306 -6.488 6.835 1.00 0.82 O ATOM 1824 CB ASP A 117 -3.630 -7.934 7.586 1.00 1.03 C ATOM 1825 CG ASP A 117 -2.888 -8.883 8.507 1.00 1.77 C ATOM 1826 OD1 ASP A 117 -3.415 -9.180 9.602 1.00 2.46 O ATOM 1827 OD2 ASP A 117 -1.784 -9.331 8.135 1.00 2.22 O ATOM 0 H ASP A 117 -5.611 -10.431 6.726 1.00 0.77 H new ATOM 0 HA ASP A 117 -5.577 -8.653 8.083 1.00 0.80 H new ATOM 0 HB2 ASP A 117 -3.030 -7.755 6.694 1.00 1.03 H new ATOM 0 HB3 ASP A 117 -3.755 -6.973 8.084 1.00 1.03 H new ATOM 1832 N MET A 118 -5.742 -7.678 5.013 1.00 0.69 N ATOM 1833 CA MET A 118 -6.432 -6.794 4.084 1.00 0.72 C ATOM 1834 C MET A 118 -7.923 -6.764 4.415 1.00 0.71 C ATOM 1835 O MET A 118 -8.561 -5.713 4.382 1.00 0.73 O ATOM 1836 CB MET A 118 -6.208 -7.273 2.646 1.00 0.83 C ATOM 1837 CG MET A 118 -6.472 -8.759 2.456 1.00 1.15 C ATOM 1838 SD MET A 118 -8.227 -9.155 2.308 1.00 2.40 S ATOM 1839 CE MET A 118 -8.219 -10.924 2.592 1.00 3.10 C ATOM 0 H MET A 118 -5.274 -8.470 4.572 1.00 0.69 H new ATOM 0 HA MET A 118 -6.033 -5.784 4.178 1.00 0.72 H new ATOM 0 HB2 MET A 118 -6.857 -6.708 1.977 1.00 0.83 H new ATOM 0 HB3 MET A 118 -5.181 -7.054 2.354 1.00 0.83 H new ATOM 0 HG2 MET A 118 -5.952 -9.103 1.562 1.00 1.15 H new ATOM 0 HG3 MET A 118 -6.052 -9.307 3.300 1.00 1.15 H new ATOM 0 HE1 MET A 118 -9.188 -11.234 2.984 1.00 3.10 H new ATOM 0 HE2 MET A 118 -8.025 -11.442 1.653 1.00 3.10 H new ATOM 0 HE3 MET A 118 -7.439 -11.173 3.312 1.00 3.10 H new ATOM 1849 N LYS A 119 -8.456 -7.937 4.745 1.00 0.80 N ATOM 1850 CA LYS A 119 -9.865 -8.093 5.099 1.00 0.95 C ATOM 1851 C LYS A 119 -10.165 -7.400 6.415 1.00 0.99 C ATOM 1852 O LYS A 119 -11.323 -7.183 6.772 1.00 1.24 O ATOM 1853 CB LYS A 119 -10.198 -9.582 5.209 1.00 1.15 C ATOM 1854 CG LYS A 119 -9.243 -10.342 6.119 1.00 1.30 C ATOM 1855 CD LYS A 119 -9.545 -11.832 6.149 1.00 1.70 C ATOM 1856 CE LYS A 119 -10.878 -12.120 6.820 1.00 2.06 C ATOM 1857 NZ LYS A 119 -10.914 -11.614 8.221 1.00 2.67 N ATOM 0 H LYS A 119 -7.924 -8.807 4.775 1.00 0.80 H new ATOM 0 HA LYS A 119 -10.477 -7.636 4.322 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -11.215 -9.694 5.585 1.00 1.15 H new ATOM 0 HB3 LYS A 119 -10.175 -10.028 4.215 1.00 1.15 H new ATOM 0 HG2 LYS A 119 -8.219 -10.187 5.779 1.00 1.30 H new ATOM 0 HG3 LYS A 119 -9.308 -9.939 7.130 1.00 1.30 H new ATOM 0 HD2 LYS A 119 -9.558 -12.222 5.131 1.00 1.70 H new ATOM 0 HD3 LYS A 119 -8.749 -12.354 6.680 1.00 1.70 H new ATOM 0 HE2 LYS A 119 -11.681 -11.658 6.246 1.00 2.06 H new ATOM 0 HE3 LYS A 119 -11.062 -13.194 6.817 1.00 2.06 H new ATOM 0 HZ1 LYS A 119 -11.676 -12.091 8.743 1.00 2.67 H new ATOM 0 HZ2 LYS A 119 -10.003 -11.808 8.684 1.00 2.67 H new ATOM 0 HZ3 LYS A 119 -11.088 -10.589 8.215 1.00 2.67 H new ATOM 1871 N ASN A 120 -9.107 -7.064 7.131 1.00 0.90 N ATOM 1872 CA ASN A 120 -9.229 -6.404 8.415 1.00 1.04 C ATOM 1873 C ASN A 120 -9.247 -4.885 8.254 1.00 1.08 C ATOM 1874 O ASN A 120 -9.233 -4.149 9.240 1.00 1.35 O ATOM 1875 CB ASN A 120 -8.077 -6.850 9.320 1.00 1.08 C ATOM 1876 CG ASN A 120 -8.043 -6.131 10.652 1.00 1.41 C ATOM 1877 OD1 ASN A 120 -9.038 -6.080 11.373 1.00 1.77 O ATOM 1878 ND2 ASN A 120 -6.880 -5.589 10.989 1.00 1.84 N ATOM 0 H ASN A 120 -8.145 -7.240 6.840 1.00 0.90 H new ATOM 0 HA ASN A 120 -10.176 -6.688 8.875 1.00 1.04 H new ATOM 0 HB2 ASN A 120 -8.159 -7.922 9.497 1.00 1.08 H new ATOM 0 HB3 ASN A 120 -7.133 -6.683 8.802 1.00 1.08 H new ATOM 0 HD21 ASN A 120 -6.783 -5.103 11.881 1.00 1.84 H new ATOM 0 HD22 ASN A 120 -6.083 -5.658 10.356 1.00 1.84 H new ATOM 1885 N ARG A 121 -9.288 -4.408 7.004 1.00 0.93 N ATOM 1886 CA ARG A 121 -9.313 -2.968 6.760 1.00 1.06 C ATOM 1887 C ARG A 121 -9.690 -2.600 5.320 1.00 0.84 C ATOM 1888 O ARG A 121 -9.019 -2.987 4.357 1.00 0.87 O ATOM 1889 CB ARG A 121 -7.955 -2.352 7.111 1.00 1.31 C ATOM 1890 CG ARG A 121 -6.791 -2.949 6.336 1.00 1.14 C ATOM 1891 CD ARG A 121 -5.490 -2.217 6.632 1.00 1.39 C ATOM 1892 NE ARG A 121 -5.142 -2.253 8.051 1.00 1.56 N ATOM 1893 CZ ARG A 121 -4.849 -3.370 8.713 1.00 1.73 C ATOM 1894 NH1 ARG A 121 -4.839 -4.536 8.083 1.00 2.29 N ATOM 1895 NH2 ARG A 121 -4.558 -3.316 10.005 1.00 2.04 N ATOM 0 H ARG A 121 -9.304 -4.987 6.164 1.00 0.93 H new ATOM 0 HA ARG A 121 -10.093 -2.561 7.404 1.00 1.06 H new ATOM 0 HB2 ARG A 121 -7.993 -1.279 6.921 1.00 1.31 H new ATOM 0 HB3 ARG A 121 -7.773 -2.481 8.178 1.00 1.31 H new ATOM 0 HG2 ARG A 121 -6.683 -4.003 6.593 1.00 1.14 H new ATOM 0 HG3 ARG A 121 -7.001 -2.902 5.268 1.00 1.14 H new ATOM 0 HD2 ARG A 121 -4.684 -2.665 6.051 1.00 1.39 H new ATOM 0 HD3 ARG A 121 -5.578 -1.180 6.308 1.00 1.39 H new ATOM 0 HE ARG A 121 -5.123 -1.371 8.564 1.00 1.56 H new ATOM 0 HH11 ARG A 121 -5.056 -4.580 7.087 1.00 2.29 H new ATOM 0 HH12 ARG A 121 -4.614 -5.390 8.594 1.00 2.29 H new ATOM 0 HH21 ARG A 121 -4.559 -2.419 10.491 1.00 2.04 H new ATOM 0 HH22 ARG A 121 -4.333 -4.171 10.513 1.00 2.04 H new ATOM 1909 N GLY A 122 -10.745 -1.795 5.196 1.00 0.73 N ATOM 1910 CA GLY A 122 -11.184 -1.312 3.896 1.00 0.60 C ATOM 1911 C GLY A 122 -10.178 -0.345 3.325 1.00 0.57 C ATOM 1912 O GLY A 122 -10.223 0.003 2.154 1.00 0.59 O ATOM 0 H GLY A 122 -11.308 -1.467 5.981 1.00 0.73 H new ATOM 0 HA2 GLY A 122 -11.316 -2.153 3.215 1.00 0.60 H new ATOM 0 HA3 GLY A 122 -12.154 -0.823 3.991 1.00 0.60 H new ATOM 1916 N PHE A 123 -9.263 0.088 4.174 1.00 0.65 N ATOM 1917 CA PHE A 123 -8.231 1.026 3.775 1.00 0.72 C ATOM 1918 C PHE A 123 -7.425 0.482 2.600 1.00 0.80 C ATOM 1919 O PHE A 123 -6.844 1.244 1.835 1.00 1.14 O ATOM 1920 CB PHE A 123 -7.291 1.320 4.947 1.00 0.84 C ATOM 1921 CG PHE A 123 -7.974 1.843 6.186 1.00 0.95 C ATOM 1922 CD1 PHE A 123 -8.890 1.065 6.879 1.00 1.10 C ATOM 1923 CD2 PHE A 123 -7.686 3.110 6.663 1.00 1.47 C ATOM 1924 CE1 PHE A 123 -9.508 1.543 8.019 1.00 1.49 C ATOM 1925 CE2 PHE A 123 -8.302 3.594 7.804 1.00 2.04 C ATOM 1926 CZ PHE A 123 -9.213 2.810 8.481 1.00 1.98 C ATOM 0 H PHE A 123 -9.215 -0.198 5.152 1.00 0.65 H new ATOM 0 HA PHE A 123 -8.722 1.949 3.467 1.00 0.72 H new ATOM 0 HB2 PHE A 123 -6.754 0.406 5.203 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -6.546 2.048 4.624 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -9.123 0.072 6.523 1.00 1.10 H new ATOM 0 HD2 PHE A 123 -6.972 3.728 6.139 1.00 1.47 H new ATOM 0 HE1 PHE A 123 -10.220 0.927 8.547 1.00 1.49 H new ATOM 0 HE2 PHE A 123 -8.069 4.585 8.164 1.00 2.04 H new ATOM 0 HZ PHE A 123 -9.695 3.187 9.371 1.00 1.98 H new ATOM 1936 N MET A 124 -7.385 -0.839 2.466 1.00 0.62 N ATOM 1937 CA MET A 124 -6.634 -1.470 1.386 1.00 0.68 C ATOM 1938 C MET A 124 -7.564 -2.111 0.357 1.00 0.64 C ATOM 1939 O MET A 124 -7.326 -2.027 -0.849 1.00 0.68 O ATOM 1940 CB MET A 124 -5.692 -2.534 1.953 1.00 0.80 C ATOM 1941 CG MET A 124 -4.731 -1.999 3.005 1.00 1.00 C ATOM 1942 SD MET A 124 -3.608 -0.752 2.351 1.00 1.91 S ATOM 1943 CE MET A 124 -2.658 -0.351 3.816 1.00 2.23 C ATOM 0 H MET A 124 -7.861 -1.492 3.089 1.00 0.62 H new ATOM 0 HA MET A 124 -6.055 -0.692 0.888 1.00 0.68 H new ATOM 0 HB2 MET A 124 -6.286 -3.337 2.390 1.00 0.80 H new ATOM 0 HB3 MET A 124 -5.117 -2.971 1.136 1.00 0.80 H new ATOM 0 HG2 MET A 124 -5.302 -1.571 3.829 1.00 1.00 H new ATOM 0 HG3 MET A 124 -4.151 -2.826 3.415 1.00 1.00 H new ATOM 0 HE1 MET A 124 -1.917 0.411 3.572 1.00 2.23 H new ATOM 0 HE2 MET A 124 -3.326 0.027 4.590 1.00 2.23 H new ATOM 0 HE3 MET A 124 -2.152 -1.246 4.178 1.00 2.23 H new ATOM 1953 N LEU A 125 -8.610 -2.767 0.842 1.00 0.61 N ATOM 1954 CA LEU A 125 -9.563 -3.444 -0.025 1.00 0.62 C ATOM 1955 C LEU A 125 -10.427 -2.463 -0.817 1.00 0.56 C ATOM 1956 O LEU A 125 -10.783 -2.718 -1.967 1.00 0.63 O ATOM 1957 CB LEU A 125 -10.432 -4.370 0.820 1.00 0.67 C ATOM 1958 CG LEU A 125 -9.670 -5.455 1.582 1.00 0.77 C ATOM 1959 CD1 LEU A 125 -10.628 -6.298 2.407 1.00 1.24 C ATOM 1960 CD2 LEU A 125 -8.884 -6.331 0.620 1.00 1.16 C ATOM 0 H LEU A 125 -8.820 -2.844 1.837 1.00 0.61 H new ATOM 0 HA LEU A 125 -9.005 -4.025 -0.759 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -10.989 -3.767 1.537 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -11.164 -4.850 0.170 1.00 0.67 H new ATOM 0 HG LEU A 125 -8.966 -4.970 2.259 1.00 0.77 H new ATOM 0 HD11 LEU A 125 -10.069 -7.065 2.943 1.00 1.24 H new ATOM 0 HD12 LEU A 125 -11.148 -5.662 3.123 1.00 1.24 H new ATOM 0 HD13 LEU A 125 -11.355 -6.773 1.748 1.00 1.24 H new ATOM 0 HD21 LEU A 125 -8.348 -7.097 1.180 1.00 1.16 H new ATOM 0 HD22 LEU A 125 -9.569 -6.807 -0.081 1.00 1.16 H new ATOM 0 HD23 LEU A 125 -8.170 -5.718 0.070 1.00 1.16 H new ATOM 1972 N TRP A 126 -10.772 -1.354 -0.190 1.00 0.48 N ATOM 1973 CA TRP A 126 -11.606 -0.330 -0.811 1.00 0.48 C ATOM 1974 C TRP A 126 -10.902 0.393 -1.965 1.00 0.47 C ATOM 1975 O TRP A 126 -11.442 0.475 -3.071 1.00 0.48 O ATOM 1976 CB TRP A 126 -12.036 0.683 0.244 1.00 0.52 C ATOM 1977 CG TRP A 126 -12.755 1.849 -0.319 1.00 0.80 C ATOM 1978 CD1 TRP A 126 -13.992 1.845 -0.854 1.00 1.33 C ATOM 1979 CD2 TRP A 126 -12.273 3.179 -0.410 1.00 1.45 C ATOM 1980 NE1 TRP A 126 -14.335 3.110 -1.264 1.00 1.82 N ATOM 1981 CE2 TRP A 126 -13.289 3.951 -0.997 1.00 1.88 C ATOM 1982 CE3 TRP A 126 -11.082 3.791 -0.042 1.00 2.11 C ATOM 1983 CZ2 TRP A 126 -13.148 5.313 -1.221 1.00 2.60 C ATOM 1984 CZ3 TRP A 126 -10.938 5.145 -0.264 1.00 2.88 C ATOM 1985 CH2 TRP A 126 -11.968 5.894 -0.845 1.00 3.03 C ATOM 0 H TRP A 126 -10.485 -1.133 0.763 1.00 0.48 H new ATOM 0 HA TRP A 126 -12.475 -0.834 -1.234 1.00 0.48 H new ATOM 0 HB2 TRP A 126 -12.677 0.187 0.973 1.00 0.52 H new ATOM 0 HB3 TRP A 126 -11.155 1.034 0.781 1.00 0.52 H new ATOM 0 HD1 TRP A 126 -14.622 0.973 -0.947 1.00 1.33 H new ATOM 0 HE1 TRP A 126 -15.220 3.378 -1.695 1.00 1.82 H new ATOM 0 HE3 TRP A 126 -10.285 3.219 0.409 1.00 2.11 H new ATOM 0 HZ2 TRP A 126 -13.939 5.892 -1.675 1.00 2.60 H new ATOM 0 HZ3 TRP A 126 -10.017 5.635 0.015 1.00 2.88 H new ATOM 0 HH2 TRP A 126 -11.828 6.954 -1.000 1.00 3.03 H new ATOM 1996 N PRO A 127 -9.690 0.934 -1.736 1.00 0.50 N ATOM 1997 CA PRO A 127 -8.947 1.646 -2.781 1.00 0.54 C ATOM 1998 C PRO A 127 -8.711 0.763 -3.992 1.00 0.53 C ATOM 1999 O PRO A 127 -8.828 1.205 -5.135 1.00 0.56 O ATOM 2000 CB PRO A 127 -7.629 2.018 -2.095 1.00 0.61 C ATOM 2001 CG PRO A 127 -7.527 1.075 -0.949 1.00 0.61 C ATOM 2002 CD PRO A 127 -8.935 0.896 -0.473 1.00 0.55 C ATOM 0 HA PRO A 127 -9.484 2.515 -3.163 1.00 0.54 H new ATOM 0 HB2 PRO A 127 -6.784 1.910 -2.774 1.00 0.61 H new ATOM 0 HB3 PRO A 127 -7.636 3.054 -1.757 1.00 0.61 H new ATOM 0 HG2 PRO A 127 -7.090 0.125 -1.256 1.00 0.61 H new ATOM 0 HG3 PRO A 127 -6.891 1.478 -0.161 1.00 0.61 H new ATOM 0 HD2 PRO A 127 -9.071 -0.048 0.056 1.00 0.55 H new ATOM 0 HD3 PRO A 127 -9.240 1.690 0.209 1.00 0.55 H new ATOM 2010 N LEU A 128 -8.407 -0.501 -3.729 1.00 0.53 N ATOM 2011 CA LEU A 128 -8.189 -1.457 -4.797 1.00 0.56 C ATOM 2012 C LEU A 128 -9.524 -1.888 -5.380 1.00 0.54 C ATOM 2013 O LEU A 128 -9.580 -2.393 -6.496 1.00 0.61 O ATOM 2014 CB LEU A 128 -7.431 -2.686 -4.301 1.00 0.63 C ATOM 2015 CG LEU A 128 -7.041 -3.674 -5.409 1.00 0.79 C ATOM 2016 CD1 LEU A 128 -6.187 -2.991 -6.468 1.00 1.42 C ATOM 2017 CD2 LEU A 128 -6.311 -4.873 -4.832 1.00 1.55 C ATOM 0 H LEU A 128 -8.307 -0.883 -2.789 1.00 0.53 H new ATOM 0 HA LEU A 128 -7.586 -0.971 -5.564 1.00 0.56 H new ATOM 0 HB2 LEU A 128 -6.527 -2.359 -3.787 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -8.045 -3.206 -3.566 1.00 0.63 H new ATOM 0 HG LEU A 128 -7.958 -4.026 -5.882 1.00 0.79 H new ATOM 0 HD11 LEU A 128 -5.923 -3.711 -7.243 1.00 1.42 H new ATOM 0 HD12 LEU A 128 -6.748 -2.169 -6.913 1.00 1.42 H new ATOM 0 HD13 LEU A 128 -5.278 -2.603 -6.008 1.00 1.42 H new ATOM 0 HD21 LEU A 128 -6.045 -5.559 -5.636 1.00 1.55 H new ATOM 0 HD22 LEU A 128 -5.405 -4.539 -4.326 1.00 1.55 H new ATOM 0 HD23 LEU A 128 -6.958 -5.384 -4.119 1.00 1.55 H new ATOM 2029 N PHE A 129 -10.606 -1.690 -4.623 1.00 0.50 N ATOM 2030 CA PHE A 129 -11.924 -2.073 -5.118 1.00 0.51 C ATOM 2031 C PHE A 129 -12.202 -1.335 -6.417 1.00 0.53 C ATOM 2032 O PHE A 129 -12.734 -1.903 -7.370 1.00 0.70 O ATOM 2033 CB PHE A 129 -13.023 -1.767 -4.099 1.00 0.49 C ATOM 2034 CG PHE A 129 -14.380 -2.243 -4.538 1.00 0.54 C ATOM 2035 CD1 PHE A 129 -14.740 -3.573 -4.393 1.00 0.60 C ATOM 2036 CD2 PHE A 129 -15.303 -1.357 -5.079 1.00 0.62 C ATOM 2037 CE1 PHE A 129 -15.991 -4.014 -4.784 1.00 0.71 C ATOM 2038 CE2 PHE A 129 -16.555 -1.793 -5.469 1.00 0.73 C ATOM 2039 CZ PHE A 129 -16.880 -3.122 -5.381 1.00 0.75 C ATOM 0 H PHE A 129 -10.596 -1.278 -3.690 1.00 0.50 H new ATOM 0 HA PHE A 129 -11.926 -3.149 -5.289 1.00 0.51 H new ATOM 0 HB2 PHE A 129 -12.770 -2.236 -3.148 1.00 0.49 H new ATOM 0 HB3 PHE A 129 -13.060 -0.692 -3.925 1.00 0.49 H new ATOM 0 HD1 PHE A 129 -14.035 -4.274 -3.970 1.00 0.60 H new ATOM 0 HD2 PHE A 129 -15.039 -0.316 -5.196 1.00 0.62 H new ATOM 0 HE1 PHE A 129 -16.277 -5.044 -4.628 1.00 0.71 H new ATOM 0 HE2 PHE A 129 -17.279 -1.085 -5.844 1.00 0.73 H new ATOM 0 HZ PHE A 129 -17.822 -3.477 -5.773 1.00 0.75 H new ATOM 2049 N GLU A 130 -11.813 -0.062 -6.450 1.00 0.43 N ATOM 2050 CA GLU A 130 -11.997 0.760 -7.639 1.00 0.49 C ATOM 2051 C GLU A 130 -11.033 0.315 -8.734 1.00 0.53 C ATOM 2052 O GLU A 130 -11.444 0.027 -9.858 1.00 0.68 O ATOM 2053 CB GLU A 130 -11.771 2.236 -7.311 1.00 0.54 C ATOM 2054 CG GLU A 130 -12.011 3.169 -8.488 1.00 0.99 C ATOM 2055 CD GLU A 130 -13.456 3.169 -8.958 1.00 1.63 C ATOM 2056 OE1 GLU A 130 -14.281 2.474 -8.330 1.00 2.40 O ATOM 2057 OE2 GLU A 130 -13.761 3.857 -9.955 1.00 2.04 O ATOM 0 H GLU A 130 -11.370 0.420 -5.668 1.00 0.43 H new ATOM 0 HA GLU A 130 -13.021 0.636 -7.992 1.00 0.49 H new ATOM 0 HB2 GLU A 130 -12.431 2.522 -6.492 1.00 0.54 H new ATOM 0 HB3 GLU A 130 -10.748 2.368 -6.957 1.00 0.54 H new ATOM 0 HG2 GLU A 130 -11.726 4.183 -8.206 1.00 0.99 H new ATOM 0 HG3 GLU A 130 -11.365 2.875 -9.315 1.00 0.99 H new ATOM 2064 N ILE A 131 -9.748 0.246 -8.386 1.00 0.48 N ATOM 2065 CA ILE A 131 -8.713 -0.182 -9.324 1.00 0.56 C ATOM 2066 C ILE A 131 -9.119 -1.481 -10.019 1.00 0.52 C ATOM 2067 O ILE A 131 -9.167 -1.561 -11.246 1.00 0.64 O ATOM 2068 CB ILE A 131 -7.372 -0.407 -8.595 1.00 0.77 C ATOM 2069 CG1 ILE A 131 -6.888 0.891 -7.937 1.00 0.77 C ATOM 2070 CG2 ILE A 131 -6.325 -0.949 -9.554 1.00 1.55 C ATOM 2071 CD1 ILE A 131 -6.667 2.030 -8.911 1.00 1.41 C ATOM 0 H ILE A 131 -9.399 0.482 -7.457 1.00 0.48 H new ATOM 0 HA ILE A 131 -8.595 0.608 -10.066 1.00 0.56 H new ATOM 0 HB ILE A 131 -7.530 -1.147 -7.810 1.00 0.77 H new ATOM 0 HG12 ILE A 131 -7.618 1.202 -7.190 1.00 0.77 H new ATOM 0 HG13 ILE A 131 -5.956 0.693 -7.408 1.00 0.77 H new ATOM 0 HG21 ILE A 131 -5.387 -1.101 -9.020 1.00 1.55 H new ATOM 0 HG22 ILE A 131 -6.666 -1.899 -9.966 1.00 1.55 H new ATOM 0 HG23 ILE A 131 -6.170 -0.237 -10.364 1.00 1.55 H new ATOM 0 HD11 ILE A 131 -6.326 2.912 -8.368 1.00 1.41 H new ATOM 0 HD12 ILE A 131 -5.914 1.741 -9.644 1.00 1.41 H new ATOM 0 HD13 ILE A 131 -7.602 2.258 -9.422 1.00 1.41 H new ATOM 2083 N ALA A 132 -9.414 -2.489 -9.209 1.00 0.53 N ATOM 2084 CA ALA A 132 -9.827 -3.798 -9.700 1.00 0.58 C ATOM 2085 C ALA A 132 -10.592 -4.548 -8.612 1.00 0.56 C ATOM 2086 O ALA A 132 -10.018 -4.931 -7.592 1.00 0.63 O ATOM 2087 CB ALA A 132 -8.619 -4.604 -10.153 1.00 0.73 C ATOM 0 H ALA A 132 -9.374 -2.423 -8.192 1.00 0.53 H new ATOM 0 HA ALA A 132 -10.485 -3.658 -10.558 1.00 0.58 H new ATOM 0 HB1 ALA A 132 -8.947 -5.578 -10.516 1.00 0.73 H new ATOM 0 HB2 ALA A 132 -8.106 -4.072 -10.954 1.00 0.73 H new ATOM 0 HB3 ALA A 132 -7.937 -4.741 -9.314 1.00 0.73 H new ATOM 2093 N PRO A 133 -11.907 -4.758 -8.805 1.00 0.63 N ATOM 2094 CA PRO A 133 -12.753 -5.449 -7.830 1.00 0.66 C ATOM 2095 C PRO A 133 -12.458 -6.941 -7.763 1.00 0.88 C ATOM 2096 O PRO A 133 -12.062 -7.451 -6.721 1.00 1.24 O ATOM 2097 CB PRO A 133 -14.183 -5.213 -8.345 1.00 0.79 C ATOM 2098 CG PRO A 133 -14.059 -4.178 -9.415 1.00 0.82 C ATOM 2099 CD PRO A 133 -12.678 -4.333 -9.977 1.00 0.81 C ATOM 0 HA PRO A 133 -12.586 -5.075 -6.820 1.00 0.66 H new ATOM 0 HB2 PRO A 133 -14.615 -6.133 -8.738 1.00 0.79 H new ATOM 0 HB3 PRO A 133 -14.837 -4.871 -7.543 1.00 0.79 H new ATOM 0 HG2 PRO A 133 -14.814 -4.323 -10.188 1.00 0.82 H new ATOM 0 HG3 PRO A 133 -14.206 -3.177 -9.009 1.00 0.82 H new ATOM 0 HD2 PRO A 133 -12.645 -5.074 -10.775 1.00 0.81 H new ATOM 0 HD3 PRO A 133 -12.302 -3.399 -10.394 1.00 0.81 H new ATOM 2107 N GLU A 134 -12.658 -7.635 -8.881 1.00 0.90 N ATOM 2108 CA GLU A 134 -12.423 -9.075 -8.946 1.00 1.12 C ATOM 2109 C GLU A 134 -10.931 -9.383 -9.033 1.00 1.08 C ATOM 2110 O GLU A 134 -10.475 -10.033 -9.973 1.00 1.25 O ATOM 2111 CB GLU A 134 -13.148 -9.675 -10.152 1.00 1.34 C ATOM 2112 CG GLU A 134 -14.648 -9.435 -10.141 1.00 1.87 C ATOM 2113 CD GLU A 134 -15.346 -10.034 -11.348 1.00 2.20 C ATOM 2114 OE1 GLU A 134 -14.656 -10.638 -12.196 1.00 2.50 O ATOM 2115 OE2 GLU A 134 -16.584 -9.898 -11.445 1.00 2.61 O ATOM 0 H GLU A 134 -12.983 -7.222 -9.755 1.00 0.90 H new ATOM 0 HA GLU A 134 -12.814 -9.522 -8.032 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -12.728 -9.253 -11.065 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -12.960 -10.748 -10.181 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -15.073 -9.861 -9.232 1.00 1.87 H new ATOM 0 HG3 GLU A 134 -14.840 -8.362 -10.111 1.00 1.87 H new ATOM 2122 N LEU A 135 -10.177 -8.904 -8.050 1.00 0.99 N ATOM 2123 CA LEU A 135 -8.738 -9.121 -8.025 1.00 1.03 C ATOM 2124 C LEU A 135 -8.306 -9.972 -6.830 1.00 1.50 C ATOM 2125 O LEU A 135 -7.209 -10.533 -6.829 1.00 2.32 O ATOM 2126 CB LEU A 135 -8.013 -7.775 -8.010 1.00 1.00 C ATOM 2127 CG LEU A 135 -6.489 -7.857 -7.994 1.00 1.43 C ATOM 2128 CD1 LEU A 135 -6.001 -8.822 -9.062 1.00 2.07 C ATOM 2129 CD2 LEU A 135 -5.888 -6.477 -8.202 1.00 2.26 C ATOM 0 H LEU A 135 -10.538 -8.365 -7.263 1.00 0.99 H new ATOM 0 HA LEU A 135 -8.468 -9.672 -8.926 1.00 1.03 H new ATOM 0 HB2 LEU A 135 -8.321 -7.205 -8.887 1.00 1.00 H new ATOM 0 HB3 LEU A 135 -8.340 -7.214 -7.134 1.00 1.00 H new ATOM 0 HG LEU A 135 -6.167 -8.231 -7.022 1.00 1.43 H new ATOM 0 HD11 LEU A 135 -4.912 -8.870 -9.039 1.00 2.07 H new ATOM 0 HD12 LEU A 135 -6.412 -9.813 -8.872 1.00 2.07 H new ATOM 0 HD13 LEU A 135 -6.328 -8.475 -10.042 1.00 2.07 H new ATOM 0 HD21 LEU A 135 -4.800 -6.548 -8.189 1.00 2.26 H new ATOM 0 HD22 LEU A 135 -6.214 -6.079 -9.163 1.00 2.26 H new ATOM 0 HD23 LEU A 135 -6.218 -5.812 -7.404 1.00 2.26 H new ATOM 2141 N VAL A 136 -9.163 -10.078 -5.821 1.00 1.65 N ATOM 2142 CA VAL A 136 -8.842 -10.878 -4.643 1.00 2.11 C ATOM 2143 C VAL A 136 -8.812 -12.357 -4.985 1.00 1.98 C ATOM 2144 O VAL A 136 -8.301 -13.158 -4.214 1.00 2.82 O ATOM 2145 CB VAL A 136 -9.831 -10.615 -3.488 1.00 2.85 C ATOM 2146 CG1 VAL A 136 -9.892 -11.777 -2.508 1.00 3.55 C ATOM 2147 CG2 VAL A 136 -9.436 -9.351 -2.760 1.00 3.66 C ATOM 0 H VAL A 136 -10.077 -9.625 -5.793 1.00 1.65 H new ATOM 0 HA VAL A 136 -7.850 -10.576 -4.308 1.00 2.11 H new ATOM 0 HB VAL A 136 -10.824 -10.502 -3.923 1.00 2.85 H new ATOM 0 HG11 VAL A 136 -10.601 -11.546 -1.713 1.00 3.55 H new ATOM 0 HG12 VAL A 136 -10.214 -12.677 -3.031 1.00 3.55 H new ATOM 0 HG13 VAL A 136 -8.905 -11.942 -2.077 1.00 3.55 H new ATOM 0 HG21 VAL A 136 -10.136 -9.167 -1.945 1.00 3.66 H new ATOM 0 HG22 VAL A 136 -8.430 -9.463 -2.356 1.00 3.66 H new ATOM 0 HG23 VAL A 136 -9.457 -8.510 -3.453 1.00 3.66 H new ATOM 2157 N PHE A 137 -9.356 -12.698 -6.159 1.00 1.34 N ATOM 2158 CA PHE A 137 -9.399 -14.082 -6.649 1.00 1.66 C ATOM 2159 C PHE A 137 -8.526 -15.032 -5.812 1.00 1.18 C ATOM 2160 O PHE A 137 -9.054 -15.969 -5.215 1.00 1.57 O ATOM 2161 CB PHE A 137 -8.985 -14.132 -8.119 1.00 2.23 C ATOM 2162 CG PHE A 137 -8.915 -15.524 -8.688 1.00 3.15 C ATOM 2163 CD1 PHE A 137 -9.988 -16.394 -8.566 1.00 3.49 C ATOM 2164 CD2 PHE A 137 -7.775 -15.959 -9.345 1.00 3.88 C ATOM 2165 CE1 PHE A 137 -9.923 -17.672 -9.090 1.00 4.44 C ATOM 2166 CE2 PHE A 137 -7.706 -17.235 -9.869 1.00 4.85 C ATOM 2167 CZ PHE A 137 -8.780 -18.093 -9.742 1.00 5.09 C ATOM 0 H PHE A 137 -9.779 -12.023 -6.796 1.00 1.34 H new ATOM 0 HA PHE A 137 -10.428 -14.428 -6.549 1.00 1.66 H new ATOM 0 HB2 PHE A 137 -9.693 -13.546 -8.705 1.00 2.23 H new ATOM 0 HB3 PHE A 137 -8.010 -13.657 -8.228 1.00 2.23 H new ATOM 0 HD1 PHE A 137 -10.884 -16.070 -8.057 1.00 3.49 H new ATOM 0 HD2 PHE A 137 -6.931 -15.293 -9.448 1.00 3.88 H new ATOM 0 HE1 PHE A 137 -10.765 -18.341 -8.990 1.00 4.44 H new ATOM 0 HE2 PHE A 137 -6.811 -17.562 -10.378 1.00 4.85 H new ATOM 0 HZ PHE A 137 -8.727 -19.091 -10.151 1.00 5.09 H new ATOM 2177 N PRO A 138 -7.183 -14.801 -5.731 1.00 0.88 N ATOM 2178 CA PRO A 138 -6.278 -15.629 -4.940 1.00 0.92 C ATOM 2179 C PRO A 138 -6.956 -16.150 -3.682 1.00 1.20 C ATOM 2180 O PRO A 138 -6.999 -17.354 -3.427 1.00 1.94 O ATOM 2181 CB PRO A 138 -5.143 -14.658 -4.566 1.00 1.24 C ATOM 2182 CG PRO A 138 -5.429 -13.382 -5.301 1.00 1.68 C ATOM 2183 CD PRO A 138 -6.427 -13.724 -6.365 1.00 1.44 C ATOM 0 HA PRO A 138 -5.939 -16.511 -5.484 1.00 0.92 H new ATOM 0 HB2 PRO A 138 -5.113 -14.489 -3.490 1.00 1.24 H new ATOM 0 HB3 PRO A 138 -4.173 -15.064 -4.852 1.00 1.24 H new ATOM 0 HG2 PRO A 138 -5.826 -12.624 -4.625 1.00 1.68 H new ATOM 0 HG3 PRO A 138 -4.518 -12.973 -5.739 1.00 1.68 H new ATOM 0 HD2 PRO A 138 -7.061 -12.874 -6.619 1.00 1.44 H new ATOM 0 HD3 PRO A 138 -5.946 -14.050 -7.287 1.00 1.44 H new ATOM 2191 N ASP A 139 -7.499 -15.218 -2.908 1.00 1.07 N ATOM 2192 CA ASP A 139 -8.198 -15.542 -1.677 1.00 1.62 C ATOM 2193 C ASP A 139 -9.630 -15.992 -1.959 1.00 1.65 C ATOM 2194 O ASP A 139 -10.079 -17.000 -1.409 1.00 2.28 O ATOM 2195 CB ASP A 139 -8.207 -14.334 -0.735 1.00 2.26 C ATOM 2196 CG ASP A 139 -8.832 -14.645 0.613 1.00 2.93 C ATOM 2197 OD1 ASP A 139 -9.224 -15.810 0.829 1.00 3.67 O ATOM 2198 OD2 ASP A 139 -8.933 -13.723 1.451 1.00 3.20 O ATOM 0 H ASP A 139 -7.466 -14.220 -3.118 1.00 1.07 H new ATOM 0 HA ASP A 139 -7.668 -16.365 -1.198 1.00 1.62 H new ATOM 0 HB2 ASP A 139 -7.184 -13.988 -0.585 1.00 2.26 H new ATOM 0 HB3 ASP A 139 -8.754 -13.517 -1.205 1.00 2.26 H new ATOM 2203 N GLY A 140 -10.361 -15.255 -2.810 1.00 1.25 N ATOM 2204 CA GLY A 140 -11.731 -15.659 -3.096 1.00 1.72 C ATOM 2205 C GLY A 140 -12.489 -14.817 -4.119 1.00 1.31 C ATOM 2206 O GLY A 140 -13.232 -15.377 -4.926 1.00 1.85 O ATOM 0 H GLY A 140 -10.039 -14.414 -3.289 1.00 1.25 H new ATOM 0 HA2 GLY A 140 -11.716 -16.691 -3.447 1.00 1.72 H new ATOM 0 HA3 GLY A 140 -12.292 -15.648 -2.162 1.00 1.72 H new ATOM 2210 N GLU A 141 -12.355 -13.488 -4.090 1.00 0.75 N ATOM 2211 CA GLU A 141 -13.103 -12.653 -5.040 1.00 0.94 C ATOM 2212 C GLU A 141 -12.618 -11.209 -5.098 1.00 0.82 C ATOM 2213 O GLU A 141 -11.612 -10.916 -5.737 1.00 1.19 O ATOM 2214 CB GLU A 141 -14.595 -12.681 -4.704 1.00 1.56 C ATOM 2215 CG GLU A 141 -14.913 -12.492 -3.226 1.00 1.38 C ATOM 2216 CD GLU A 141 -16.296 -12.992 -2.859 1.00 2.16 C ATOM 2217 OE1 GLU A 141 -16.566 -14.194 -3.064 1.00 2.47 O ATOM 2218 OE2 GLU A 141 -17.111 -12.181 -2.371 1.00 2.97 O ATOM 0 H GLU A 141 -11.756 -12.977 -3.442 1.00 0.75 H new ATOM 0 HA GLU A 141 -12.927 -13.083 -6.026 1.00 0.94 H new ATOM 0 HB2 GLU A 141 -15.098 -11.899 -5.274 1.00 1.56 H new ATOM 0 HB3 GLU A 141 -15.011 -13.633 -5.033 1.00 1.56 H new ATOM 0 HG2 GLU A 141 -14.170 -13.019 -2.628 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -14.834 -11.435 -2.973 1.00 1.38 H new ATOM 2225 N MET A 142 -13.357 -10.300 -4.456 1.00 0.57 N ATOM 2226 CA MET A 142 -13.008 -8.901 -4.464 1.00 0.54 C ATOM 2227 C MET A 142 -12.336 -8.508 -3.184 1.00 0.58 C ATOM 2228 O MET A 142 -12.245 -9.287 -2.239 1.00 0.92 O ATOM 2229 CB MET A 142 -14.242 -8.029 -4.672 1.00 0.57 C ATOM 2230 CG MET A 142 -14.915 -8.274 -5.999 1.00 0.67 C ATOM 2231 SD MET A 142 -16.453 -7.354 -6.190 1.00 1.32 S ATOM 2232 CE MET A 142 -16.977 -7.903 -7.814 1.00 1.58 C ATOM 0 H MET A 142 -14.200 -10.522 -3.927 1.00 0.57 H new ATOM 0 HA MET A 142 -12.318 -8.745 -5.293 1.00 0.54 H new ATOM 0 HB2 MET A 142 -14.954 -8.218 -3.869 1.00 0.57 H new ATOM 0 HB3 MET A 142 -13.955 -6.980 -4.604 1.00 0.57 H new ATOM 0 HG2 MET A 142 -14.232 -7.999 -6.803 1.00 0.67 H new ATOM 0 HG3 MET A 142 -15.120 -9.339 -6.105 1.00 0.67 H new ATOM 0 HE1 MET A 142 -18.054 -7.770 -7.913 1.00 1.58 H new ATOM 0 HE2 MET A 142 -16.468 -7.316 -8.578 1.00 1.58 H new ATOM 0 HE3 MET A 142 -16.728 -8.957 -7.940 1.00 1.58 H new ATOM 2242 N LEU A 143 -11.869 -7.288 -3.176 1.00 0.55 N ATOM 2243 CA LEU A 143 -11.188 -6.728 -2.034 1.00 0.62 C ATOM 2244 C LEU A 143 -12.173 -6.227 -1.001 1.00 0.56 C ATOM 2245 O LEU A 143 -12.226 -6.692 0.134 1.00 0.60 O ATOM 2246 CB LEU A 143 -10.345 -5.524 -2.464 1.00 0.76 C ATOM 2247 CG LEU A 143 -9.137 -5.781 -3.358 1.00 0.81 C ATOM 2248 CD1 LEU A 143 -8.061 -6.553 -2.611 1.00 1.54 C ATOM 2249 CD2 LEU A 143 -9.535 -6.499 -4.641 1.00 1.70 C ATOM 0 H LEU A 143 -11.950 -6.648 -3.966 1.00 0.55 H new ATOM 0 HA LEU A 143 -10.567 -7.518 -1.612 1.00 0.62 H new ATOM 0 HB2 LEU A 143 -11.001 -4.824 -2.982 1.00 0.76 H new ATOM 0 HB3 LEU A 143 -9.993 -5.023 -1.562 1.00 0.76 H new ATOM 0 HG LEU A 143 -8.724 -4.812 -3.639 1.00 0.81 H new ATOM 0 HD11 LEU A 143 -7.211 -6.723 -3.271 1.00 1.54 H new ATOM 0 HD12 LEU A 143 -7.737 -5.979 -1.743 1.00 1.54 H new ATOM 0 HD13 LEU A 143 -8.463 -7.512 -2.282 1.00 1.54 H new ATOM 0 HD21 LEU A 143 -8.649 -6.666 -5.254 1.00 1.70 H new ATOM 0 HD22 LEU A 143 -9.992 -7.458 -4.395 1.00 1.70 H new ATOM 0 HD23 LEU A 143 -10.249 -5.888 -5.193 1.00 1.70 H new ATOM 2261 N ARG A 144 -12.894 -5.209 -1.419 1.00 0.53 N ATOM 2262 CA ARG A 144 -13.835 -4.504 -0.580 1.00 0.52 C ATOM 2263 C ARG A 144 -15.026 -5.320 -0.121 1.00 0.61 C ATOM 2264 O ARG A 144 -15.390 -5.224 1.036 1.00 0.69 O ATOM 2265 CB ARG A 144 -14.294 -3.235 -1.282 1.00 0.53 C ATOM 2266 CG ARG A 144 -15.438 -2.531 -0.573 1.00 0.58 C ATOM 2267 CD ARG A 144 -15.809 -1.227 -1.261 1.00 0.85 C ATOM 2268 NE ARG A 144 -16.945 -0.570 -0.620 1.00 1.18 N ATOM 2269 CZ ARG A 144 -18.167 -1.097 -0.553 1.00 1.39 C ATOM 2270 NH1 ARG A 144 -18.416 -2.279 -1.104 1.00 1.59 N ATOM 2271 NH2 ARG A 144 -19.141 -0.438 0.060 1.00 2.16 N ATOM 0 H ARG A 144 -12.841 -4.842 -2.369 1.00 0.53 H new ATOM 0 HA ARG A 144 -13.294 -4.266 0.336 1.00 0.52 H new ATOM 0 HB2 ARG A 144 -13.451 -2.549 -1.364 1.00 0.53 H new ATOM 0 HB3 ARG A 144 -14.604 -3.482 -2.297 1.00 0.53 H new ATOM 0 HG2 ARG A 144 -16.308 -3.188 -0.545 1.00 0.58 H new ATOM 0 HG3 ARG A 144 -15.157 -2.330 0.461 1.00 0.58 H new ATOM 0 HD2 ARG A 144 -14.950 -0.556 -1.251 1.00 0.85 H new ATOM 0 HD3 ARG A 144 -16.048 -1.424 -2.306 1.00 0.85 H new ATOM 0 HE ARG A 144 -16.794 0.347 -0.199 1.00 1.18 H new ATOM 0 HH11 ARG A 144 -17.671 -2.787 -1.581 1.00 1.59 H new ATOM 0 HH12 ARG A 144 -19.353 -2.679 -1.051 1.00 1.59 H new ATOM 0 HH21 ARG A 144 -18.955 0.473 0.480 1.00 2.16 H new ATOM 0 HH22 ARG A 144 -20.076 -0.842 0.111 1.00 2.16 H new ATOM 2285 N GLN A 145 -15.648 -6.106 -0.985 1.00 0.76 N ATOM 2286 CA GLN A 145 -16.796 -6.884 -0.533 1.00 0.92 C ATOM 2287 C GLN A 145 -16.417 -7.610 0.767 1.00 0.89 C ATOM 2288 O GLN A 145 -17.270 -7.881 1.614 1.00 0.97 O ATOM 2289 CB GLN A 145 -17.292 -7.844 -1.634 1.00 1.21 C ATOM 2290 CG GLN A 145 -16.980 -9.312 -1.404 1.00 0.96 C ATOM 2291 CD GLN A 145 -15.506 -9.582 -1.250 1.00 1.54 C ATOM 2292 OE1 GLN A 145 -14.696 -8.561 -1.494 1.00 2.27 O flip ATOM 2293 NE2 GLN A 145 -15.101 -10.699 -0.934 1.00 1.87 N flip ATOM 0 H GLN A 145 -15.393 -6.223 -1.966 1.00 0.76 H new ATOM 0 HA GLN A 145 -17.636 -6.222 -0.324 1.00 0.92 H new ATOM 0 HB2 GLN A 145 -18.372 -7.730 -1.733 1.00 1.21 H new ATOM 0 HB3 GLN A 145 -16.851 -7.540 -2.583 1.00 1.21 H new ATOM 0 HG2 GLN A 145 -17.502 -9.653 -0.510 1.00 0.96 H new ATOM 0 HG3 GLN A 145 -17.365 -9.895 -2.240 1.00 0.96 H new ATOM 0 HE21 GLN A 145 -15.766 -11.451 -0.757 1.00 1.87 H new ATOM 0 HE22 GLN A 145 -14.100 -10.873 -0.849 1.00 1.87 H new ATOM 2302 N ILE A 146 -15.106 -7.870 0.940 1.00 0.85 N ATOM 2303 CA ILE A 146 -14.599 -8.505 2.155 1.00 0.90 C ATOM 2304 C ILE A 146 -14.549 -7.494 3.291 1.00 0.85 C ATOM 2305 O ILE A 146 -14.950 -7.789 4.413 1.00 1.01 O ATOM 2306 CB ILE A 146 -13.169 -9.051 1.993 1.00 0.95 C ATOM 2307 CG1 ILE A 146 -12.986 -9.752 0.655 1.00 1.06 C ATOM 2308 CG2 ILE A 146 -12.847 -10.004 3.135 1.00 1.24 C ATOM 2309 CD1 ILE A 146 -11.561 -10.185 0.398 1.00 1.06 C ATOM 0 H ILE A 146 -14.387 -7.648 0.251 1.00 0.85 H new ATOM 0 HA ILE A 146 -15.280 -9.329 2.365 1.00 0.90 H new ATOM 0 HB ILE A 146 -12.480 -8.207 2.020 1.00 0.95 H new ATOM 0 HG12 ILE A 146 -13.636 -10.626 0.618 1.00 1.06 H new ATOM 0 HG13 ILE A 146 -13.305 -9.083 -0.144 1.00 1.06 H new ATOM 0 HG21 ILE A 146 -11.834 -10.387 3.015 1.00 1.24 H new ATOM 0 HG22 ILE A 146 -12.924 -9.474 4.084 1.00 1.24 H new ATOM 0 HG23 ILE A 146 -13.552 -10.835 3.125 1.00 1.24 H new ATOM 0 HD11 ILE A 146 -11.500 -10.678 -0.572 1.00 1.06 H new ATOM 0 HD12 ILE A 146 -10.909 -9.312 0.403 1.00 1.06 H new ATOM 0 HD13 ILE A 146 -11.245 -10.878 1.178 1.00 1.06 H new ATOM 2321 N LEU A 147 -14.035 -6.298 2.987 1.00 0.72 N ATOM 2322 CA LEU A 147 -13.915 -5.237 3.988 1.00 0.75 C ATOM 2323 C LEU A 147 -15.290 -4.704 4.341 1.00 0.71 C ATOM 2324 O LEU A 147 -15.521 -4.156 5.417 1.00 0.81 O ATOM 2325 CB LEU A 147 -13.060 -4.088 3.441 1.00 0.92 C ATOM 2326 CG LEU A 147 -13.783 -3.149 2.464 1.00 0.82 C ATOM 2327 CD1 LEU A 147 -14.629 -2.135 3.205 1.00 1.36 C ATOM 2328 CD2 LEU A 147 -12.804 -2.424 1.581 1.00 1.66 C ATOM 0 H LEU A 147 -13.697 -6.042 2.059 1.00 0.72 H new ATOM 0 HA LEU A 147 -13.440 -5.651 4.878 1.00 0.75 H new ATOM 0 HB2 LEU A 147 -12.690 -3.499 4.280 1.00 0.92 H new ATOM 0 HB3 LEU A 147 -12.189 -4.510 2.939 1.00 0.92 H new ATOM 0 HG LEU A 147 -14.430 -3.770 1.845 1.00 0.82 H new ATOM 0 HD11 LEU A 147 -15.129 -1.484 2.487 1.00 1.36 H new ATOM 0 HD12 LEU A 147 -15.376 -2.654 3.806 1.00 1.36 H new ATOM 0 HD13 LEU A 147 -13.992 -1.536 3.856 1.00 1.36 H new ATOM 0 HD21 LEU A 147 -13.345 -1.767 0.900 1.00 1.66 H new ATOM 0 HD22 LEU A 147 -12.128 -1.831 2.197 1.00 1.66 H new ATOM 0 HD23 LEU A 147 -12.228 -3.148 1.005 1.00 1.66 H new ATOM 2340 N HIS A 148 -16.185 -4.851 3.396 1.00 0.71 N ATOM 2341 CA HIS A 148 -17.539 -4.388 3.530 1.00 0.76 C ATOM 2342 C HIS A 148 -18.277 -5.237 4.548 1.00 0.83 C ATOM 2343 O HIS A 148 -19.130 -4.752 5.291 1.00 0.92 O ATOM 2344 CB HIS A 148 -18.216 -4.450 2.157 1.00 0.79 C ATOM 2345 CG HIS A 148 -19.657 -4.042 2.171 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -20.392 -3.442 3.136 1.00 1.04 N flip ATOM 2347 CD2 HIS A 148 -20.503 -4.213 1.097 1.00 1.02 C flip ATOM 2348 CE1 HIS A 148 -21.657 -3.261 2.633 1.00 1.20 C flip ATOM 2349 NE2 HIS A 148 -21.698 -3.735 1.401 1.00 1.19 N flip ATOM 0 H HIS A 148 -15.989 -5.301 2.502 1.00 0.71 H new ATOM 0 HA HIS A 148 -17.554 -3.358 3.886 1.00 0.76 H new ATOM 0 HB2 HIS A 148 -17.673 -3.805 1.466 1.00 0.79 H new ATOM 0 HB3 HIS A 148 -18.140 -5.467 1.771 1.00 0.79 H new ATOM 0 HD1 HIS A 148 -20.067 -3.174 4.065 1.00 1.04 H new ATOM 0 HD2 HIS A 148 -20.233 -4.666 0.155 1.00 1.02 H new ATOM 0 HE1 HIS A 148 -22.483 -2.806 3.159 1.00 1.20 H new ATOM 2358 N THR A 149 -17.937 -6.512 4.573 1.00 0.86 N ATOM 2359 CA THR A 149 -18.568 -7.442 5.493 1.00 0.97 C ATOM 2360 C THR A 149 -17.704 -7.698 6.726 1.00 1.00 C ATOM 2361 O THR A 149 -18.214 -8.123 7.763 1.00 1.13 O ATOM 2362 CB THR A 149 -18.842 -8.767 4.781 1.00 1.02 C ATOM 2363 OG1 THR A 149 -17.628 -9.437 4.492 1.00 1.35 O ATOM 2364 CG2 THR A 149 -19.588 -8.603 3.475 1.00 1.48 C ATOM 0 H THR A 149 -17.229 -6.928 3.968 1.00 0.86 H new ATOM 0 HA THR A 149 -19.504 -6.993 5.826 1.00 0.97 H new ATOM 0 HB THR A 149 -19.463 -9.341 5.469 1.00 1.02 H new ATOM 0 HG1 THR A 149 -16.891 -8.791 4.487 1.00 1.35 H new ATOM 0 HG21 THR A 149 -19.749 -9.582 3.023 1.00 1.48 H new ATOM 0 HG22 THR A 149 -20.550 -8.127 3.663 1.00 1.48 H new ATOM 0 HG23 THR A 149 -19.003 -7.982 2.797 1.00 1.48 H new ATOM 2372 N ARG A 150 -16.394 -7.481 6.609 1.00 0.91 N ATOM 2373 CA ARG A 150 -15.493 -7.746 7.732 1.00 0.97 C ATOM 2374 C ARG A 150 -14.770 -6.508 8.264 1.00 0.97 C ATOM 2375 O ARG A 150 -14.317 -6.505 9.409 1.00 1.16 O ATOM 2376 CB ARG A 150 -14.476 -8.811 7.332 1.00 1.01 C ATOM 2377 CG ARG A 150 -15.109 -10.163 7.050 1.00 1.12 C ATOM 2378 CD ARG A 150 -14.070 -11.196 6.648 1.00 1.43 C ATOM 2379 NE ARG A 150 -14.646 -12.532 6.521 1.00 1.84 N ATOM 2380 CZ ARG A 150 -15.162 -13.215 7.540 1.00 2.15 C ATOM 2381 NH1 ARG A 150 -15.161 -12.696 8.761 1.00 2.45 N ATOM 2382 NH2 ARG A 150 -15.677 -14.418 7.338 1.00 2.86 N ATOM 0 H ARG A 150 -15.939 -7.130 5.766 1.00 0.91 H new ATOM 0 HA ARG A 150 -16.122 -8.097 8.550 1.00 0.97 H new ATOM 0 HB2 ARG A 150 -13.938 -8.476 6.445 1.00 1.01 H new ATOM 0 HB3 ARG A 150 -13.740 -8.920 8.129 1.00 1.01 H new ATOM 0 HG2 ARG A 150 -15.641 -10.508 7.937 1.00 1.12 H new ATOM 0 HG3 ARG A 150 -15.847 -10.061 6.255 1.00 1.12 H new ATOM 0 HD2 ARG A 150 -13.618 -10.905 5.700 1.00 1.43 H new ATOM 0 HD3 ARG A 150 -13.272 -11.215 7.390 1.00 1.43 H new ATOM 0 HE ARG A 150 -14.653 -12.967 5.598 1.00 1.84 H new ATOM 0 HH11 ARG A 150 -14.764 -11.770 8.921 1.00 2.45 H new ATOM 0 HH12 ARG A 150 -15.557 -13.223 9.539 1.00 2.45 H new ATOM 0 HH21 ARG A 150 -15.678 -14.821 6.401 1.00 2.86 H new ATOM 0 HH22 ARG A 150 -16.072 -14.941 8.119 1.00 2.86 H new ATOM 2396 N ALA A 151 -14.625 -5.475 7.442 1.00 0.88 N ATOM 2397 CA ALA A 151 -13.907 -4.275 7.876 1.00 0.91 C ATOM 2398 C ALA A 151 -14.842 -3.109 8.189 1.00 0.92 C ATOM 2399 O ALA A 151 -15.406 -3.038 9.281 1.00 1.18 O ATOM 2400 CB ALA A 151 -12.876 -3.868 6.833 1.00 0.89 C ATOM 0 H ALA A 151 -14.986 -5.439 6.489 1.00 0.88 H new ATOM 0 HA ALA A 151 -13.398 -4.528 8.806 1.00 0.91 H new ATOM 0 HB1 ALA A 151 -12.351 -2.974 7.170 1.00 0.89 H new ATOM 0 HB2 ALA A 151 -12.161 -4.678 6.693 1.00 0.89 H new ATOM 0 HB3 ALA A 151 -13.377 -3.659 5.888 1.00 0.89 H new ATOM 2406 N PHE A 152 -14.979 -2.181 7.243 1.00 0.79 N ATOM 2407 CA PHE A 152 -15.816 -1.012 7.448 1.00 0.99 C ATOM 2408 C PHE A 152 -16.964 -0.968 6.441 1.00 0.88 C ATOM 2409 O PHE A 152 -18.007 -1.591 6.651 1.00 1.32 O ATOM 2410 CB PHE A 152 -14.949 0.246 7.341 1.00 1.26 C ATOM 2411 CG PHE A 152 -15.708 1.537 7.437 1.00 2.02 C ATOM 2412 CD1 PHE A 152 -16.581 1.777 8.487 1.00 2.81 C ATOM 2413 CD2 PHE A 152 -15.543 2.513 6.469 1.00 2.37 C ATOM 2414 CE1 PHE A 152 -17.276 2.969 8.570 1.00 3.76 C ATOM 2415 CE2 PHE A 152 -16.236 3.708 6.545 1.00 3.27 C ATOM 2416 CZ PHE A 152 -17.103 3.935 7.596 1.00 3.92 C ATOM 0 H PHE A 152 -14.521 -2.220 6.332 1.00 0.79 H new ATOM 0 HA PHE A 152 -16.262 -1.064 8.441 1.00 0.99 H new ATOM 0 HB2 PHE A 152 -14.198 0.222 8.130 1.00 1.26 H new ATOM 0 HB3 PHE A 152 -14.415 0.224 6.391 1.00 1.26 H new ATOM 0 HD1 PHE A 152 -16.720 1.024 9.249 1.00 2.81 H new ATOM 0 HD2 PHE A 152 -14.866 2.340 5.646 1.00 2.37 H new ATOM 0 HE1 PHE A 152 -17.952 3.145 9.393 1.00 3.76 H new ATOM 0 HE2 PHE A 152 -16.099 4.462 5.784 1.00 3.27 H new ATOM 0 HZ PHE A 152 -17.646 4.867 7.657 1.00 3.92 H new ATOM 2426 N ASP A 153 -16.768 -0.231 5.354 1.00 0.92 N ATOM 2427 CA ASP A 153 -17.785 -0.102 4.323 1.00 1.10 C ATOM 2428 C ASP A 153 -17.237 0.663 3.126 1.00 1.14 C ATOM 2429 O ASP A 153 -17.243 0.161 2.003 1.00 1.88 O ATOM 2430 CB ASP A 153 -19.021 0.611 4.875 1.00 1.43 C ATOM 2431 CG ASP A 153 -20.110 0.771 3.833 1.00 2.10 C ATOM 2432 OD1 ASP A 153 -20.581 -0.259 3.303 1.00 2.58 O ATOM 2433 OD2 ASP A 153 -20.493 1.924 3.545 1.00 2.80 O ATOM 0 H ASP A 153 -15.910 0.287 5.166 1.00 0.92 H new ATOM 0 HA ASP A 153 -18.071 -1.103 4.000 1.00 1.10 H new ATOM 0 HB2 ASP A 153 -19.413 0.049 5.723 1.00 1.43 H new ATOM 0 HB3 ASP A 153 -18.733 1.593 5.250 1.00 1.43 H new ATOM 2438 N LYS A 154 -16.768 1.885 3.374 1.00 0.75 N ATOM 2439 CA LYS A 154 -16.223 2.718 2.310 1.00 0.78 C ATOM 2440 C LYS A 154 -15.614 4.008 2.865 1.00 0.91 C ATOM 2441 O LYS A 154 -16.330 4.903 3.314 1.00 1.80 O ATOM 2442 CB LYS A 154 -17.324 3.031 1.290 1.00 0.89 C ATOM 2443 CG LYS A 154 -16.851 3.845 0.097 1.00 0.86 C ATOM 2444 CD LYS A 154 -16.992 5.339 0.338 1.00 1.03 C ATOM 2445 CE LYS A 154 -18.449 5.746 0.503 1.00 1.54 C ATOM 2446 NZ LYS A 154 -18.595 7.209 0.727 1.00 2.17 N ATOM 0 H LYS A 154 -16.755 2.316 4.298 1.00 0.75 H new ATOM 0 HA LYS A 154 -15.421 2.169 1.816 1.00 0.78 H new ATOM 0 HB2 LYS A 154 -17.749 2.094 0.931 1.00 0.89 H new ATOM 0 HB3 LYS A 154 -18.126 3.573 1.791 1.00 0.89 H new ATOM 0 HG2 LYS A 154 -15.808 3.608 -0.113 1.00 0.86 H new ATOM 0 HG3 LYS A 154 -17.426 3.564 -0.785 1.00 0.86 H new ATOM 0 HD2 LYS A 154 -16.433 5.618 1.231 1.00 1.03 H new ATOM 0 HD3 LYS A 154 -16.553 5.886 -0.497 1.00 1.03 H new ATOM 0 HE2 LYS A 154 -19.009 5.457 -0.386 1.00 1.54 H new ATOM 0 HE3 LYS A 154 -18.884 5.205 1.343 1.00 1.54 H new ATOM 0 HZ1 LYS A 154 -19.602 7.445 0.834 1.00 2.17 H new ATOM 0 HZ2 LYS A 154 -18.082 7.481 1.590 1.00 2.17 H new ATOM 0 HZ3 LYS A 154 -18.203 7.726 -0.086 1.00 2.17 H new ATOM 2460 N LEU A 155 -14.285 4.094 2.818 1.00 0.61 N ATOM 2461 CA LEU A 155 -13.560 5.268 3.302 1.00 0.61 C ATOM 2462 C LEU A 155 -13.703 6.430 2.321 1.00 0.68 C ATOM 2463 O LEU A 155 -14.435 6.333 1.339 1.00 0.89 O ATOM 2464 CB LEU A 155 -12.082 4.933 3.499 1.00 0.60 C ATOM 2465 CG LEU A 155 -11.779 3.861 4.551 1.00 0.60 C ATOM 2466 CD1 LEU A 155 -10.280 3.672 4.682 1.00 1.18 C ATOM 2467 CD2 LEU A 155 -12.387 4.238 5.895 1.00 1.23 C ATOM 0 H LEU A 155 -13.685 3.358 2.446 1.00 0.61 H new ATOM 0 HA LEU A 155 -13.988 5.564 4.260 1.00 0.61 H new ATOM 0 HB2 LEU A 155 -11.672 4.605 2.544 1.00 0.60 H new ATOM 0 HB3 LEU A 155 -11.555 5.846 3.775 1.00 0.60 H new ATOM 0 HG LEU A 155 -12.226 2.921 4.228 1.00 0.60 H new ATOM 0 HD11 LEU A 155 -10.074 2.908 5.432 1.00 1.18 H new ATOM 0 HD12 LEU A 155 -9.867 3.359 3.723 1.00 1.18 H new ATOM 0 HD13 LEU A 155 -9.820 4.612 4.986 1.00 1.18 H new ATOM 0 HD21 LEU A 155 -12.160 3.463 6.627 1.00 1.23 H new ATOM 0 HD22 LEU A 155 -11.969 5.187 6.230 1.00 1.23 H new ATOM 0 HD23 LEU A 155 -13.468 4.334 5.791 1.00 1.23 H new ATOM 2479 N ASN A 156 -12.999 7.528 2.588 1.00 0.66 N ATOM 2480 CA ASN A 156 -13.057 8.697 1.718 1.00 0.77 C ATOM 2481 C ASN A 156 -11.692 8.983 1.110 1.00 0.65 C ATOM 2482 O ASN A 156 -10.677 8.980 1.809 1.00 0.69 O ATOM 2483 CB ASN A 156 -13.545 9.921 2.497 1.00 1.04 C ATOM 2484 CG ASN A 156 -14.979 9.787 2.987 1.00 1.66 C ATOM 2485 OD1 ASN A 156 -15.652 8.709 2.594 1.00 2.44 O flip ATOM 2486 ND2 ASN A 156 -15.481 10.650 3.704 1.00 2.12 N flip ATOM 0 H ASN A 156 -12.385 7.631 3.396 1.00 0.66 H new ATOM 0 HA ASN A 156 -13.761 8.485 0.914 1.00 0.77 H new ATOM 0 HB2 ASN A 156 -12.889 10.084 3.352 1.00 1.04 H new ATOM 0 HB3 ASN A 156 -13.466 10.803 1.862 1.00 1.04 H new ATOM 0 HD21 ASN A 156 -14.932 11.463 3.984 1.00 2.12 H new ATOM 0 HD22 ASN A 156 -16.446 10.553 4.019 1.00 2.12 H new ATOM 2493 N LYS A 157 -11.673 9.235 -0.195 1.00 0.64 N ATOM 2494 CA LYS A 157 -10.427 9.529 -0.887 1.00 0.64 C ATOM 2495 C LYS A 157 -9.897 10.889 -0.457 1.00 0.68 C ATOM 2496 O LYS A 157 -10.161 11.906 -1.098 1.00 0.95 O ATOM 2497 CB LYS A 157 -10.630 9.472 -2.403 1.00 0.79 C ATOM 2498 CG LYS A 157 -11.099 8.107 -2.875 1.00 0.96 C ATOM 2499 CD LYS A 157 -11.294 8.036 -4.378 1.00 1.67 C ATOM 2500 CE LYS A 157 -11.737 6.642 -4.799 1.00 1.70 C ATOM 2501 NZ LYS A 157 -11.877 6.523 -6.276 1.00 2.51 N ATOM 0 H LYS A 157 -12.502 9.241 -0.790 1.00 0.64 H new ATOM 0 HA LYS A 157 -9.688 8.774 -0.619 1.00 0.64 H new ATOM 0 HB2 LYS A 157 -11.361 10.226 -2.697 1.00 0.79 H new ATOM 0 HB3 LYS A 157 -9.694 9.724 -2.902 1.00 0.79 H new ATOM 0 HG2 LYS A 157 -10.371 7.354 -2.572 1.00 0.96 H new ATOM 0 HG3 LYS A 157 -12.038 7.860 -2.380 1.00 0.96 H new ATOM 0 HD2 LYS A 157 -12.039 8.769 -4.688 1.00 1.67 H new ATOM 0 HD3 LYS A 157 -10.363 8.295 -4.883 1.00 1.67 H new ATOM 0 HE2 LYS A 157 -11.013 5.909 -4.443 1.00 1.70 H new ATOM 0 HE3 LYS A 157 -12.689 6.406 -4.324 1.00 1.70 H new ATOM 0 HZ1 LYS A 157 -12.861 6.284 -6.513 1.00 2.51 H new ATOM 0 HZ2 LYS A 157 -11.623 7.427 -6.723 1.00 2.51 H new ATOM 0 HZ3 LYS A 157 -11.245 5.774 -6.625 1.00 2.51 H new ATOM 2515 N TRP A 158 -9.152 10.883 0.646 1.00 0.73 N ATOM 2516 CA TRP A 158 -8.572 12.097 1.210 1.00 0.83 C ATOM 2517 C TRP A 158 -9.595 13.229 1.257 1.00 1.08 C ATOM 2518 O TRP A 158 -9.613 14.054 0.318 1.00 1.47 O ATOM 2519 CB TRP A 158 -7.343 12.529 0.404 1.00 0.85 C ATOM 2520 CG TRP A 158 -6.656 13.734 0.974 1.00 1.04 C ATOM 2521 CD1 TRP A 158 -6.254 13.915 2.266 1.00 1.51 C ATOM 2522 CD2 TRP A 158 -6.297 14.930 0.271 1.00 1.55 C ATOM 2523 NE1 TRP A 158 -5.667 15.147 2.409 1.00 1.52 N ATOM 2524 CE2 TRP A 158 -5.681 15.789 1.200 1.00 1.52 C ATOM 2525 CE3 TRP A 158 -6.436 15.358 -1.054 1.00 2.50 C ATOM 2526 CZ2 TRP A 158 -5.204 17.049 0.846 1.00 2.07 C ATOM 2527 CZ3 TRP A 158 -5.962 16.608 -1.403 1.00 3.24 C ATOM 2528 CH2 TRP A 158 -5.353 17.442 -0.456 1.00 2.95 C ATOM 2529 OXT TRP A 158 -10.374 13.280 2.233 1.00 1.75 O ATOM 0 H TRP A 158 -8.934 10.037 1.173 1.00 0.73 H new ATOM 0 HA TRP A 158 -8.264 11.875 2.232 1.00 0.83 H new ATOM 0 HB2 TRP A 158 -6.635 11.701 0.362 1.00 0.85 H new ATOM 0 HB3 TRP A 158 -7.646 12.742 -0.621 1.00 0.85 H new ATOM 0 HD1 TRP A 158 -6.380 13.194 3.060 1.00 1.51 H new ATOM 0 HE1 TRP A 158 -5.283 15.523 3.276 1.00 1.52 H new ATOM 0 HE3 TRP A 158 -6.905 14.723 -1.791 1.00 2.50 H new ATOM 0 HZ2 TRP A 158 -4.733 17.693 1.574 1.00 2.07 H new ATOM 0 HZ3 TRP A 158 -6.063 16.948 -2.423 1.00 3.24 H new ATOM 0 HH2 TRP A 158 -4.994 18.414 -0.760 1.00 2.95 H new