USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1049 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 113 THR OG1 : rot 137:sc= 1.13 USER MOD Set 1.2: A 139 LYS NZ :NH3+ -157:sc= 2.12 (180deg=0.351) USER MOD Set 2.1: A 115 THR OG1 : rot 180:sc= -0.487 USER MOD Set 2.2: A 137 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 117 THR OG1 : rot -33:sc= 0.392 USER MOD Set 3.2: A 135 THR OG1 : rot 14:sc= 0.883 USER MOD Set 4.1: A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 141 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 58 SER OG : rot 36:sc= 2.02 USER MOD Set 5.2: A 60 ASN : amide:sc= 0.82 K(o=2.8,f=1.2) USER MOD Set 6.1: A 1 GLU N :NH3+ -164:sc= 1.16 (180deg=-0.179) USER MOD Set 6.2: A 4 GLN : amide:sc= 0.987 K(o=2.1,f=-3.6) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 149:sc= -0.257 (180deg=-2.27!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 18 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.01) USER MOD Single : A 20 THR OG1 : rot 55:sc= 0.183 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 31 GLN : amide:sc=-0.00206 K(o=-0.0021,f=-0.98) USER MOD Single : A 36 ASN : amide:sc= -0.063 K(o=-0.063,f=-2.1!) USER MOD Single : A 39 GLN : amide:sc= -1.1! C(o=-1.1!,f=-5.2!) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 1.87 (180deg=1.69) USER MOD Single : A 46 THR OG1 : rot -27:sc= 0.45 USER MOD Single : A 48 ASN : amide:sc= -5.06! C(o=-5.1!,f=-4.6!) USER MOD Single : A 51 GLN : amide:sc= -0.0699 K(o=-0.07,f=-0.59) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc=-0.00605 (180deg=-0.225) USER MOD Single : A 61 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.34) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= -0.025 (180deg=-0.198) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.217 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.332 X(o=0.33,f=0) USER MOD Single : A 75 SER OG : rot -160:sc= 0.835 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 71:sc= 0.514 USER MOD Single : A 81 ASN : amide:sc= 0.32 K(o=0.32,f=-0.5) USER MOD Single : A 85 TYR OH : rot 155:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -160:sc= 0.931 (180deg=0.377!) USER MOD Single : A 87 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.1!) USER MOD Single : A 91 SER OG : rot 180:sc= 0.00598 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -138:sc= -3.28! USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 104 GLN :FLIP amide:sc= 0.16 F(o=-1.1,f=0.16) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.967 K(o=-0.97,f=-16!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 130:sc= -1.92! USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0.238 X(o=0.24,f=-0.055) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN :FLIP amide:sc= 0.652 F(o=-0.84,f=0.65) USER MOD Single : A 130 THR OG1 : rot 180:sc=-0.000515 USER MOD Single : A 132 SER OG : rot -127:sc= 0.864 USER MOD Single : A 134 THR OG1 : rot 116:sc= 1.71 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -18.993 4.850 -11.757 1.00 4.07 N ATOM 2 CA GLU A 1 -19.600 3.500 -11.830 1.00 3.34 C ATOM 3 C GLU A 1 -19.692 2.866 -10.445 1.00 2.61 C ATOM 4 O GLU A 1 -20.742 2.895 -9.802 1.00 3.01 O ATOM 5 CB GLU A 1 -18.781 2.594 -12.753 1.00 4.00 C ATOM 6 CG GLU A 1 -18.755 3.055 -14.199 1.00 4.80 C ATOM 7 CD GLU A 1 -17.911 2.156 -15.073 1.00 5.32 C ATOM 8 OE1 GLU A 1 -18.345 1.021 -15.358 1.00 5.64 O ATOM 9 OE2 GLU A 1 -16.817 2.587 -15.489 1.00 5.73 O ATOM 0 H1 GLU A 1 -19.183 5.365 -12.641 1.00 4.07 H new ATOM 0 H2 GLU A 1 -19.403 5.372 -10.957 1.00 4.07 H new ATOM 0 H3 GLU A 1 -17.966 4.762 -11.622 1.00 4.07 H new ATOM 0 HA GLU A 1 -20.607 3.610 -12.233 1.00 3.34 H new ATOM 0 HB2 GLU A 1 -17.758 2.541 -12.380 1.00 4.00 H new ATOM 0 HB3 GLU A 1 -19.189 1.584 -12.711 1.00 4.00 H new ATOM 0 HG2 GLU A 1 -19.773 3.084 -14.587 1.00 4.80 H new ATOM 0 HG3 GLU A 1 -18.367 4.073 -14.247 1.00 4.80 H new ATOM 16 N GLU A 2 -18.581 2.308 -9.997 1.00 1.89 N ATOM 17 CA GLU A 2 -18.508 1.638 -8.708 1.00 1.43 C ATOM 18 C GLU A 2 -17.557 2.398 -7.796 1.00 1.13 C ATOM 19 O GLU A 2 -17.201 3.534 -8.098 1.00 1.31 O ATOM 20 CB GLU A 2 -18.016 0.206 -8.910 1.00 1.72 C ATOM 21 CG GLU A 2 -16.702 0.136 -9.665 1.00 1.73 C ATOM 22 CD GLU A 2 -16.376 -1.258 -10.148 1.00 2.37 C ATOM 23 OE1 GLU A 2 -16.943 -1.682 -11.176 1.00 2.54 O ATOM 24 OE2 GLU A 2 -15.552 -1.942 -9.509 1.00 3.08 O ATOM 0 H GLU A 2 -17.703 2.306 -10.516 1.00 1.89 H new ATOM 0 HA GLU A 2 -19.495 1.613 -8.247 1.00 1.43 H new ATOM 0 HB2 GLU A 2 -17.897 -0.273 -7.938 1.00 1.72 H new ATOM 0 HB3 GLU A 2 -18.773 -0.360 -9.454 1.00 1.72 H new ATOM 0 HG2 GLU A 2 -16.743 0.811 -10.520 1.00 1.73 H new ATOM 0 HG3 GLU A 2 -15.898 0.489 -9.019 1.00 1.73 H new ATOM 31 N CYS A 3 -17.161 1.781 -6.687 1.00 1.08 N ATOM 32 CA CYS A 3 -16.128 2.346 -5.824 1.00 0.96 C ATOM 33 C CYS A 3 -14.786 2.318 -6.549 1.00 0.83 C ATOM 34 O CYS A 3 -14.018 1.359 -6.446 1.00 0.96 O ATOM 35 CB CYS A 3 -16.041 1.566 -4.512 1.00 1.25 C ATOM 36 SG CYS A 3 -14.780 2.169 -3.334 1.00 1.43 S ATOM 0 H CYS A 3 -17.539 0.890 -6.365 1.00 1.08 H new ATOM 0 HA CYS A 3 -16.386 3.379 -5.589 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -17.015 1.596 -4.024 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -15.831 0.521 -4.742 1.00 1.25 H new ATOM 41 N GLN A 4 -14.535 3.362 -7.314 1.00 0.67 N ATOM 42 CA GLN A 4 -13.351 3.448 -8.142 1.00 0.59 C ATOM 43 C GLN A 4 -12.250 4.196 -7.414 1.00 0.54 C ATOM 44 O GLN A 4 -12.419 5.352 -7.031 1.00 0.53 O ATOM 45 CB GLN A 4 -13.698 4.149 -9.452 1.00 0.59 C ATOM 46 CG GLN A 4 -14.778 3.431 -10.241 1.00 1.45 C ATOM 47 CD GLN A 4 -15.250 4.210 -11.451 1.00 1.65 C ATOM 48 OE1 GLN A 4 -16.196 4.995 -11.367 1.00 2.29 O ATOM 49 NE2 GLN A 4 -14.611 3.986 -12.587 1.00 1.92 N ATOM 0 H GLN A 4 -15.148 4.175 -7.378 1.00 0.67 H new ATOM 0 HA GLN A 4 -12.991 2.442 -8.360 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -14.028 5.166 -9.237 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -12.800 4.228 -10.065 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -14.398 2.462 -10.566 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -15.628 3.237 -9.587 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -13.832 3.328 -12.613 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -14.897 4.472 -13.437 1.00 1.92 H new ATOM 58 N VAL A 5 -11.128 3.532 -7.216 1.00 0.56 N ATOM 59 CA VAL A 5 -10.030 4.115 -6.475 1.00 0.57 C ATOM 60 C VAL A 5 -8.963 4.639 -7.421 1.00 0.57 C ATOM 61 O VAL A 5 -8.343 3.877 -8.165 1.00 0.66 O ATOM 62 CB VAL A 5 -9.401 3.092 -5.512 1.00 0.68 C ATOM 63 CG1 VAL A 5 -8.302 3.732 -4.682 1.00 1.00 C ATOM 64 CG2 VAL A 5 -10.467 2.481 -4.618 1.00 1.51 C ATOM 0 H VAL A 5 -10.954 2.587 -7.559 1.00 0.56 H new ATOM 0 HA VAL A 5 -10.434 4.943 -5.892 1.00 0.57 H new ATOM 0 HB VAL A 5 -8.951 2.296 -6.105 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -7.874 2.988 -4.010 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.524 4.115 -5.342 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -8.718 4.552 -4.097 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -10.006 1.760 -3.943 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -10.948 3.267 -4.036 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -11.213 1.977 -5.233 1.00 1.51 H new ATOM 74 N ARG A 6 -8.768 5.945 -7.397 1.00 0.57 N ATOM 75 CA ARG A 6 -7.736 6.572 -8.197 1.00 0.64 C ATOM 76 C ARG A 6 -6.387 6.419 -7.510 1.00 0.58 C ATOM 77 O ARG A 6 -6.137 7.028 -6.471 1.00 0.65 O ATOM 78 CB ARG A 6 -8.062 8.051 -8.422 1.00 0.80 C ATOM 79 CG ARG A 6 -6.985 8.812 -9.183 1.00 1.47 C ATOM 80 CD ARG A 6 -7.472 10.183 -9.612 1.00 1.67 C ATOM 81 NE ARG A 6 -8.638 10.091 -10.490 1.00 1.92 N ATOM 82 CZ ARG A 6 -9.595 11.014 -10.560 1.00 2.75 C ATOM 83 NH1 ARG A 6 -9.498 12.132 -9.845 1.00 3.23 N ATOM 84 NH2 ARG A 6 -10.646 10.826 -11.354 1.00 3.57 N ATOM 0 H ARG A 6 -9.314 6.593 -6.829 1.00 0.57 H new ATOM 0 HA ARG A 6 -7.692 6.081 -9.169 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -9.002 8.127 -8.969 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -8.217 8.530 -7.455 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -6.101 8.919 -8.555 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -6.685 8.240 -10.061 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -7.726 10.772 -8.730 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -6.669 10.710 -10.127 1.00 1.67 H new ATOM 0 HE ARG A 6 -8.723 9.268 -11.086 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -8.689 12.283 -9.242 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -10.232 12.838 -9.900 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -10.719 9.974 -11.910 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -11.378 11.534 -11.407 1.00 3.57 H new ATOM 98 N VAL A 7 -5.544 5.568 -8.077 1.00 0.58 N ATOM 99 CA VAL A 7 -4.212 5.338 -7.541 1.00 0.57 C ATOM 100 C VAL A 7 -3.166 5.818 -8.535 1.00 0.68 C ATOM 101 O VAL A 7 -3.149 5.379 -9.689 1.00 0.85 O ATOM 102 CB VAL A 7 -3.969 3.845 -7.229 1.00 0.64 C ATOM 103 CG1 VAL A 7 -2.619 3.648 -6.557 1.00 1.20 C ATOM 104 CG2 VAL A 7 -5.083 3.288 -6.359 1.00 1.26 C ATOM 0 H VAL A 7 -5.761 5.024 -8.912 1.00 0.58 H new ATOM 0 HA VAL A 7 -4.132 5.898 -6.609 1.00 0.57 H new ATOM 0 HB VAL A 7 -3.966 3.299 -8.172 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -2.469 2.589 -6.346 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -1.828 4.002 -7.218 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -2.591 4.211 -5.624 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -4.891 2.235 -6.152 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -5.123 3.841 -5.421 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -6.035 3.388 -6.880 1.00 1.26 H new ATOM 114 N GLY A 8 -2.315 6.728 -8.094 1.00 0.77 N ATOM 115 CA GLY A 8 -1.286 7.262 -8.960 1.00 0.96 C ATOM 116 C GLY A 8 0.036 6.543 -8.796 1.00 0.75 C ATOM 117 O GLY A 8 0.209 5.747 -7.870 1.00 0.86 O ATOM 0 H GLY A 8 -2.318 7.109 -7.148 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.612 7.185 -9.997 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -1.149 8.322 -8.746 1.00 0.96 H new ATOM 121 N ASP A 9 0.964 6.820 -9.698 1.00 0.57 N ATOM 122 CA ASP A 9 2.287 6.214 -9.653 1.00 0.45 C ATOM 123 C ASP A 9 3.264 7.149 -8.967 1.00 0.50 C ATOM 124 O ASP A 9 3.444 8.295 -9.389 1.00 0.73 O ATOM 125 CB ASP A 9 2.786 5.899 -11.063 1.00 0.56 C ATOM 126 CG ASP A 9 1.898 4.912 -11.789 1.00 1.37 C ATOM 127 OD1 ASP A 9 2.145 3.697 -11.679 1.00 2.18 O ATOM 128 OD2 ASP A 9 0.952 5.347 -12.481 1.00 1.77 O ATOM 0 H ASP A 9 0.825 7.465 -10.476 1.00 0.57 H new ATOM 0 HA ASP A 9 2.217 5.284 -9.089 1.00 0.45 H new ATOM 0 HB2 ASP A 9 2.843 6.823 -11.639 1.00 0.56 H new ATOM 0 HB3 ASP A 9 3.798 5.497 -11.005 1.00 0.56 H new ATOM 133 N LEU A 10 3.901 6.666 -7.917 1.00 0.52 N ATOM 134 CA LEU A 10 4.821 7.490 -7.154 1.00 0.65 C ATOM 135 C LEU A 10 6.265 7.087 -7.397 1.00 0.49 C ATOM 136 O LEU A 10 6.649 5.943 -7.165 1.00 0.57 O ATOM 137 CB LEU A 10 4.518 7.398 -5.660 1.00 0.95 C ATOM 138 CG LEU A 10 3.176 7.979 -5.215 1.00 0.76 C ATOM 139 CD1 LEU A 10 3.061 7.929 -3.703 1.00 1.05 C ATOM 140 CD2 LEU A 10 3.006 9.408 -5.710 1.00 1.41 C ATOM 0 H LEU A 10 3.799 5.711 -7.573 1.00 0.52 H new ATOM 0 HA LEU A 10 4.684 8.518 -7.491 1.00 0.65 H new ATOM 0 HB2 LEU A 10 4.554 6.349 -5.365 1.00 0.95 H new ATOM 0 HB3 LEU A 10 5.312 7.909 -5.116 1.00 0.95 H new ATOM 0 HG LEU A 10 2.382 7.374 -5.652 1.00 0.76 H new ATOM 0 HD11 LEU A 10 2.101 8.345 -3.397 1.00 1.05 H new ATOM 0 HD12 LEU A 10 3.131 6.895 -3.367 1.00 1.05 H new ATOM 0 HD13 LEU A 10 3.868 8.511 -3.257 1.00 1.05 H new ATOM 0 HD21 LEU A 10 2.043 9.796 -5.379 1.00 1.41 H new ATOM 0 HD22 LEU A 10 3.805 10.030 -5.307 1.00 1.41 H new ATOM 0 HD23 LEU A 10 3.048 9.423 -6.799 1.00 1.41 H new ATOM 152 N THR A 11 7.059 8.029 -7.870 1.00 0.49 N ATOM 153 CA THR A 11 8.493 7.842 -7.949 1.00 0.47 C ATOM 154 C THR A 11 9.172 8.791 -6.971 1.00 0.53 C ATOM 155 O THR A 11 9.113 10.014 -7.133 1.00 0.66 O ATOM 156 CB THR A 11 9.025 8.102 -9.373 1.00 0.63 C ATOM 157 OG1 THR A 11 8.306 7.301 -10.323 1.00 1.03 O ATOM 158 CG2 THR A 11 10.512 7.785 -9.459 1.00 0.99 C ATOM 0 H THR A 11 6.732 8.935 -8.206 1.00 0.49 H new ATOM 0 HA THR A 11 8.717 6.806 -7.694 1.00 0.47 H new ATOM 0 HB THR A 11 8.878 9.157 -9.605 1.00 0.63 H new ATOM 0 HG1 THR A 11 8.650 7.475 -11.224 1.00 1.03 H new ATOM 0 HG21 THR A 11 10.867 7.975 -10.472 1.00 0.99 H new ATOM 0 HG22 THR A 11 11.060 8.415 -8.758 1.00 0.99 H new ATOM 0 HG23 THR A 11 10.676 6.737 -9.208 1.00 0.99 H new ATOM 166 N VAL A 12 9.798 8.230 -5.946 1.00 0.52 N ATOM 167 CA VAL A 12 10.425 9.031 -4.904 1.00 0.63 C ATOM 168 C VAL A 12 11.720 8.369 -4.449 1.00 0.48 C ATOM 169 O VAL A 12 11.828 7.141 -4.448 1.00 0.57 O ATOM 170 CB VAL A 12 9.502 9.213 -3.671 1.00 0.82 C ATOM 171 CG1 VAL A 12 10.057 10.282 -2.742 1.00 1.45 C ATOM 172 CG2 VAL A 12 8.076 9.561 -4.076 1.00 1.45 C ATOM 0 H VAL A 12 9.885 7.222 -5.814 1.00 0.52 H new ATOM 0 HA VAL A 12 10.624 10.013 -5.332 1.00 0.63 H new ATOM 0 HB VAL A 12 9.474 8.260 -3.144 1.00 0.82 H new ATOM 0 HG11 VAL A 12 9.396 10.396 -1.883 1.00 1.45 H new ATOM 0 HG12 VAL A 12 11.049 9.988 -2.400 1.00 1.45 H new ATOM 0 HG13 VAL A 12 10.124 11.230 -3.276 1.00 1.45 H new ATOM 0 HG21 VAL A 12 7.463 9.680 -3.183 1.00 1.45 H new ATOM 0 HG22 VAL A 12 8.076 10.492 -4.643 1.00 1.45 H new ATOM 0 HG23 VAL A 12 7.667 8.761 -4.693 1.00 1.45 H new ATOM 182 N ALA A 13 12.694 9.177 -4.057 1.00 0.44 N ATOM 183 CA ALA A 13 13.980 8.663 -3.624 1.00 0.43 C ATOM 184 C ALA A 13 14.192 8.907 -2.135 1.00 0.45 C ATOM 185 O ALA A 13 13.895 9.992 -1.631 1.00 0.57 O ATOM 186 CB ALA A 13 15.097 9.297 -4.432 1.00 0.59 C ATOM 0 H ALA A 13 12.615 10.194 -4.031 1.00 0.44 H new ATOM 0 HA ALA A 13 13.993 7.586 -3.793 1.00 0.43 H new ATOM 0 HB1 ALA A 13 16.057 8.903 -4.098 1.00 0.59 H new ATOM 0 HB2 ALA A 13 14.958 9.066 -5.488 1.00 0.59 H new ATOM 0 HB3 ALA A 13 15.080 10.378 -4.291 1.00 0.59 H new ATOM 192 N LYS A 14 14.682 7.884 -1.441 1.00 0.43 N ATOM 193 CA LYS A 14 15.000 7.975 -0.019 1.00 0.50 C ATOM 194 C LYS A 14 15.502 6.638 0.485 1.00 0.41 C ATOM 195 O LYS A 14 15.303 5.613 -0.160 1.00 0.41 O ATOM 196 CB LYS A 14 13.779 8.380 0.816 1.00 0.67 C ATOM 197 CG LYS A 14 12.663 7.348 0.807 1.00 1.47 C ATOM 198 CD LYS A 14 11.463 7.834 1.596 1.00 2.23 C ATOM 199 CE LYS A 14 10.711 8.915 0.845 1.00 2.52 C ATOM 200 NZ LYS A 14 9.932 8.359 -0.288 1.00 3.42 N ATOM 0 H LYS A 14 14.870 6.968 -1.849 1.00 0.43 H new ATOM 0 HA LYS A 14 15.768 8.741 0.090 1.00 0.50 H new ATOM 0 HB2 LYS A 14 14.095 8.552 1.845 1.00 0.67 H new ATOM 0 HB3 LYS A 14 13.390 9.326 0.440 1.00 0.67 H new ATOM 0 HG2 LYS A 14 12.366 7.138 -0.221 1.00 1.47 H new ATOM 0 HG3 LYS A 14 13.026 6.412 1.231 1.00 1.47 H new ATOM 0 HD2 LYS A 14 10.795 6.997 1.798 1.00 2.23 H new ATOM 0 HD3 LYS A 14 11.792 8.220 2.561 1.00 2.23 H new ATOM 0 HE2 LYS A 14 10.038 9.432 1.529 1.00 2.52 H new ATOM 0 HE3 LYS A 14 11.417 9.656 0.471 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 9.080 8.936 -0.440 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 10.515 8.370 -1.149 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 9.654 7.381 -0.071 1.00 3.42 H new ATOM 214 N THR A 15 16.130 6.653 1.644 1.00 0.46 N ATOM 215 CA THR A 15 16.566 5.430 2.278 1.00 0.44 C ATOM 216 C THR A 15 15.426 4.837 3.099 1.00 0.44 C ATOM 217 O THR A 15 14.464 5.531 3.434 1.00 0.50 O ATOM 218 CB THR A 15 17.780 5.674 3.197 1.00 0.49 C ATOM 219 OG1 THR A 15 17.437 6.611 4.225 1.00 0.63 O ATOM 220 CG2 THR A 15 18.968 6.200 2.406 1.00 0.52 C ATOM 0 H THR A 15 16.349 7.502 2.165 1.00 0.46 H new ATOM 0 HA THR A 15 16.862 4.735 1.493 1.00 0.44 H new ATOM 0 HB THR A 15 18.058 4.721 3.648 1.00 0.49 H new ATOM 0 HG1 THR A 15 18.213 6.759 4.805 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.810 6.363 3.079 1.00 0.52 H new ATOM 0 HG22 THR A 15 19.248 5.473 1.644 1.00 0.52 H new ATOM 0 HG23 THR A 15 18.698 7.141 1.927 1.00 0.52 H new ATOM 228 N ARG A 16 15.532 3.559 3.429 1.00 0.40 N ATOM 229 CA ARG A 16 14.561 2.925 4.312 1.00 0.43 C ATOM 230 C ARG A 16 14.894 3.270 5.756 1.00 0.46 C ATOM 231 O ARG A 16 14.217 2.839 6.688 1.00 0.55 O ATOM 232 CB ARG A 16 14.533 1.402 4.129 1.00 0.50 C ATOM 233 CG ARG A 16 14.084 0.950 2.741 1.00 0.57 C ATOM 234 CD ARG A 16 15.238 0.904 1.750 1.00 0.68 C ATOM 235 NE ARG A 16 15.589 -0.467 1.379 1.00 1.22 N ATOM 236 CZ ARG A 16 16.669 -1.097 1.840 1.00 2.43 C ATOM 237 NH1 ARG A 16 17.528 -0.451 2.605 1.00 3.01 N ATOM 238 NH2 ARG A 16 16.916 -2.357 1.515 1.00 3.14 N ATOM 0 H ARG A 16 16.276 2.942 3.102 1.00 0.40 H new ATOM 0 HA ARG A 16 13.571 3.303 4.056 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.529 1.005 4.324 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.865 0.969 4.874 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.629 -0.038 2.812 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.316 1.629 2.370 1.00 0.57 H new ATOM 0 HD2 ARG A 16 14.969 1.464 0.854 1.00 0.68 H new ATOM 0 HD3 ARG A 16 16.108 1.396 2.184 1.00 0.68 H new ATOM 0 HE ARG A 16 14.976 -0.966 0.735 1.00 1.22 H new ATOM 0 HH11 ARG A 16 17.364 0.528 2.842 1.00 3.01 H new ATOM 0 HH12 ARG A 16 18.356 -0.930 2.960 1.00 3.01 H new ATOM 0 HH21 ARG A 16 16.275 -2.861 0.903 1.00 3.14 H new ATOM 0 HH22 ARG A 16 17.748 -2.823 1.877 1.00 3.14 H new ATOM 252 N GLY A 17 15.962 4.040 5.921 1.00 0.47 N ATOM 253 CA GLY A 17 16.351 4.514 7.226 1.00 0.58 C ATOM 254 C GLY A 17 15.826 5.911 7.473 1.00 0.61 C ATOM 255 O GLY A 17 15.755 6.372 8.614 1.00 0.75 O ATOM 0 H GLY A 17 16.570 4.345 5.161 1.00 0.47 H new ATOM 0 HA2 GLY A 17 15.970 3.838 7.991 1.00 0.58 H new ATOM 0 HA3 GLY A 17 17.438 4.510 7.310 1.00 0.58 H new ATOM 259 N GLN A 18 15.463 6.590 6.385 1.00 0.58 N ATOM 260 CA GLN A 18 14.788 7.877 6.464 1.00 0.70 C ATOM 261 C GLN A 18 13.368 7.649 6.964 1.00 0.64 C ATOM 262 O GLN A 18 12.727 8.541 7.525 1.00 0.72 O ATOM 263 CB GLN A 18 14.772 8.555 5.088 1.00 0.86 C ATOM 264 CG GLN A 18 14.308 10.000 5.126 1.00 1.02 C ATOM 265 CD GLN A 18 14.273 10.644 3.758 1.00 1.49 C ATOM 266 OE1 GLN A 18 15.266 11.203 3.296 1.00 2.00 O ATOM 267 NE2 GLN A 18 13.121 10.600 3.113 1.00 2.17 N ATOM 0 H GLN A 18 15.629 6.263 5.433 1.00 0.58 H new ATOM 0 HA GLN A 18 15.319 8.533 7.154 1.00 0.70 H new ATOM 0 HB2 GLN A 18 15.774 8.515 4.661 1.00 0.86 H new ATOM 0 HB3 GLN A 18 14.120 7.990 4.422 1.00 0.86 H new ATOM 0 HG2 GLN A 18 13.313 10.045 5.569 1.00 1.02 H new ATOM 0 HG3 GLN A 18 14.971 10.572 5.774 1.00 1.02 H new ATOM 0 HE21 GLN A 18 12.320 10.126 3.531 1.00 2.17 H new ATOM 0 HE22 GLN A 18 13.032 11.040 2.197 1.00 2.17 H new ATOM 276 N LEU A 19 12.894 6.431 6.745 1.00 0.60 N ATOM 277 CA LEU A 19 11.621 5.986 7.274 1.00 0.62 C ATOM 278 C LEU A 19 11.832 5.442 8.683 1.00 0.78 C ATOM 279 O LEU A 19 12.547 4.457 8.877 1.00 1.61 O ATOM 280 CB LEU A 19 11.029 4.891 6.383 1.00 0.62 C ATOM 281 CG LEU A 19 10.918 5.230 4.895 1.00 0.52 C ATOM 282 CD1 LEU A 19 10.469 4.010 4.103 1.00 0.92 C ATOM 283 CD2 LEU A 19 9.954 6.387 4.683 1.00 0.89 C ATOM 0 H LEU A 19 13.384 5.726 6.195 1.00 0.60 H new ATOM 0 HA LEU A 19 10.928 6.827 7.300 1.00 0.62 H new ATOM 0 HB2 LEU A 19 11.640 3.994 6.487 1.00 0.62 H new ATOM 0 HB3 LEU A 19 10.035 4.644 6.755 1.00 0.62 H new ATOM 0 HG LEU A 19 11.902 5.531 4.536 1.00 0.52 H new ATOM 0 HD11 LEU A 19 10.395 4.269 3.047 1.00 0.92 H new ATOM 0 HD12 LEU A 19 11.195 3.207 4.230 1.00 0.92 H new ATOM 0 HD13 LEU A 19 9.495 3.680 4.464 1.00 0.92 H new ATOM 0 HD21 LEU A 19 9.887 6.615 3.619 1.00 0.89 H new ATOM 0 HD22 LEU A 19 8.968 6.112 5.058 1.00 0.89 H new ATOM 0 HD23 LEU A 19 10.315 7.264 5.220 1.00 0.89 H new ATOM 295 N THR A 20 11.221 6.081 9.658 1.00 0.68 N ATOM 296 CA THR A 20 11.418 5.716 11.047 1.00 0.69 C ATOM 297 C THR A 20 10.150 5.109 11.628 1.00 0.66 C ATOM 298 O THR A 20 9.405 5.775 12.346 1.00 0.73 O ATOM 299 CB THR A 20 11.852 6.937 11.877 1.00 0.80 C ATOM 300 OG1 THR A 20 10.972 8.042 11.620 1.00 1.51 O ATOM 301 CG2 THR A 20 13.278 7.337 11.539 1.00 1.65 C ATOM 0 H THR A 20 10.580 6.861 9.514 1.00 0.68 H new ATOM 0 HA THR A 20 12.212 4.970 11.090 1.00 0.69 H new ATOM 0 HB THR A 20 11.803 6.668 12.932 1.00 0.80 H new ATOM 0 HG1 THR A 20 10.046 7.767 11.783 1.00 1.51 H new ATOM 0 HG21 THR A 20 13.565 8.202 12.137 1.00 1.65 H new ATOM 0 HG22 THR A 20 13.950 6.507 11.756 1.00 1.65 H new ATOM 0 HG23 THR A 20 13.344 7.590 10.481 1.00 1.65 H new ATOM 309 N ASP A 21 9.914 3.846 11.276 1.00 0.61 N ATOM 310 CA ASP A 21 8.701 3.121 11.660 1.00 0.61 C ATOM 311 C ASP A 21 7.460 3.801 11.092 1.00 0.58 C ATOM 312 O ASP A 21 6.982 3.436 10.027 1.00 0.73 O ATOM 313 CB ASP A 21 8.574 2.974 13.180 1.00 0.69 C ATOM 314 CG ASP A 21 7.294 2.263 13.574 1.00 1.18 C ATOM 315 OD1 ASP A 21 7.223 1.024 13.432 1.00 1.38 O ATOM 316 OD2 ASP A 21 6.360 2.934 14.054 1.00 1.83 O ATOM 0 H ASP A 21 10.561 3.293 10.714 1.00 0.61 H new ATOM 0 HA ASP A 21 8.782 2.120 11.237 1.00 0.61 H new ATOM 0 HB2 ASP A 21 9.430 2.420 13.564 1.00 0.69 H new ATOM 0 HB3 ASP A 21 8.599 3.960 13.644 1.00 0.69 H new ATOM 321 N ALA A 22 6.973 4.814 11.790 1.00 0.65 N ATOM 322 CA ALA A 22 5.796 5.543 11.358 1.00 0.68 C ATOM 323 C ALA A 22 6.187 6.915 10.839 1.00 0.62 C ATOM 324 O ALA A 22 6.201 7.900 11.580 1.00 0.72 O ATOM 325 CB ALA A 22 4.781 5.659 12.485 1.00 0.82 C ATOM 0 H ALA A 22 7.379 5.150 12.663 1.00 0.65 H new ATOM 0 HA ALA A 22 5.328 4.987 10.546 1.00 0.68 H new ATOM 0 HB1 ALA A 22 3.909 6.210 12.134 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.476 4.662 12.804 1.00 0.82 H new ATOM 0 HB3 ALA A 22 5.230 6.188 13.326 1.00 0.82 H new ATOM 331 N ALA A 23 6.563 6.951 9.575 1.00 0.59 N ATOM 332 CA ALA A 23 6.880 8.192 8.893 1.00 0.59 C ATOM 333 C ALA A 23 6.475 8.080 7.431 1.00 0.64 C ATOM 334 O ALA A 23 7.262 7.635 6.595 1.00 0.79 O ATOM 335 CB ALA A 23 8.363 8.520 9.022 1.00 0.71 C ATOM 0 H ALA A 23 6.658 6.120 8.991 1.00 0.59 H new ATOM 0 HA ALA A 23 6.323 9.006 9.357 1.00 0.59 H new ATOM 0 HB1 ALA A 23 8.575 9.454 8.503 1.00 0.71 H new ATOM 0 HB2 ALA A 23 8.622 8.623 10.076 1.00 0.71 H new ATOM 0 HB3 ALA A 23 8.953 7.717 8.580 1.00 0.71 H new ATOM 341 N PRO A 24 5.215 8.414 7.119 1.00 0.62 N ATOM 342 CA PRO A 24 4.686 8.317 5.757 1.00 0.72 C ATOM 343 C PRO A 24 5.295 9.349 4.815 1.00 0.78 C ATOM 344 O PRO A 24 4.849 10.495 4.745 1.00 1.12 O ATOM 345 CB PRO A 24 3.189 8.565 5.943 1.00 0.79 C ATOM 346 CG PRO A 24 3.105 9.403 7.169 1.00 0.75 C ATOM 347 CD PRO A 24 4.192 8.894 8.070 1.00 0.63 C ATOM 0 HA PRO A 24 4.918 7.356 5.297 1.00 0.72 H new ATOM 0 HB2 PRO A 24 2.760 9.077 5.081 1.00 0.79 H new ATOM 0 HB3 PRO A 24 2.643 7.629 6.062 1.00 0.79 H new ATOM 0 HG2 PRO A 24 3.249 10.458 6.935 1.00 0.75 H new ATOM 0 HG3 PRO A 24 2.127 9.312 7.642 1.00 0.75 H new ATOM 0 HD2 PRO A 24 4.580 9.680 8.718 1.00 0.63 H new ATOM 0 HD3 PRO A 24 3.837 8.093 8.719 1.00 0.63 H new ATOM 355 N ILE A 25 6.332 8.939 4.102 1.00 0.58 N ATOM 356 CA ILE A 25 7.010 9.831 3.174 1.00 0.64 C ATOM 357 C ILE A 25 6.770 9.374 1.740 1.00 0.59 C ATOM 358 O ILE A 25 7.548 9.656 0.825 1.00 0.95 O ATOM 359 CB ILE A 25 8.518 9.908 3.473 1.00 0.92 C ATOM 360 CG1 ILE A 25 8.734 9.901 4.981 1.00 1.73 C ATOM 361 CG2 ILE A 25 9.106 11.179 2.872 1.00 1.37 C ATOM 362 CD1 ILE A 25 10.187 9.988 5.393 1.00 2.58 C ATOM 0 H ILE A 25 6.722 7.998 4.147 1.00 0.58 H new ATOM 0 HA ILE A 25 6.597 10.832 3.300 1.00 0.64 H new ATOM 0 HB ILE A 25 9.018 9.047 3.030 1.00 0.92 H new ATOM 0 HG12 ILE A 25 8.191 10.738 5.420 1.00 1.73 H new ATOM 0 HG13 ILE A 25 8.303 8.990 5.396 1.00 1.73 H new ATOM 0 HG21 ILE A 25 10.173 11.224 3.089 1.00 1.37 H new ATOM 0 HG22 ILE A 25 8.955 11.175 1.793 1.00 1.37 H new ATOM 0 HG23 ILE A 25 8.611 12.049 3.304 1.00 1.37 H new ATOM 0 HD11 ILE A 25 10.258 9.978 6.481 1.00 2.58 H new ATOM 0 HD12 ILE A 25 10.732 9.137 4.986 1.00 2.58 H new ATOM 0 HD13 ILE A 25 10.619 10.913 5.010 1.00 2.58 H new ATOM 374 N GLY A 26 5.685 8.644 1.564 1.00 0.62 N ATOM 375 CA GLY A 26 5.195 8.349 0.236 1.00 0.74 C ATOM 376 C GLY A 26 3.680 8.405 0.175 1.00 0.56 C ATOM 377 O GLY A 26 3.052 7.429 -0.231 1.00 0.65 O ATOM 0 H GLY A 26 5.130 8.247 2.322 1.00 0.62 H new ATOM 0 HA2 GLY A 26 5.615 9.061 -0.474 1.00 0.74 H new ATOM 0 HA3 GLY A 26 5.536 7.359 -0.067 1.00 0.74 H new ATOM 381 N PRO A 27 3.055 9.522 0.621 1.00 0.48 N ATOM 382 CA PRO A 27 1.602 9.682 0.560 1.00 0.44 C ATOM 383 C PRO A 27 1.032 9.510 -0.842 1.00 0.48 C ATOM 384 O PRO A 27 1.313 10.299 -1.746 1.00 0.61 O ATOM 385 CB PRO A 27 1.357 11.105 1.056 1.00 0.51 C ATOM 386 CG PRO A 27 2.552 11.442 1.873 1.00 0.66 C ATOM 387 CD PRO A 27 3.701 10.691 1.259 1.00 0.67 C ATOM 0 HA PRO A 27 1.107 8.916 1.158 1.00 0.44 H new ATOM 0 HB2 PRO A 27 1.241 11.798 0.223 1.00 0.51 H new ATOM 0 HB3 PRO A 27 0.445 11.164 1.649 1.00 0.51 H new ATOM 0 HG2 PRO A 27 2.739 12.516 1.865 1.00 0.66 H new ATOM 0 HG3 PRO A 27 2.408 11.151 2.914 1.00 0.66 H new ATOM 0 HD2 PRO A 27 4.234 11.301 0.530 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.428 10.386 2.012 1.00 0.67 H new ATOM 395 N VAL A 28 0.229 8.470 -1.004 1.00 0.45 N ATOM 396 CA VAL A 28 -0.466 8.221 -2.252 1.00 0.54 C ATOM 397 C VAL A 28 -1.802 8.949 -2.237 1.00 0.57 C ATOM 398 O VAL A 28 -2.560 8.843 -1.267 1.00 0.58 O ATOM 399 CB VAL A 28 -0.722 6.714 -2.478 1.00 0.65 C ATOM 400 CG1 VAL A 28 -1.284 6.465 -3.870 1.00 1.18 C ATOM 401 CG2 VAL A 28 0.547 5.905 -2.256 1.00 1.07 C ATOM 0 H VAL A 28 0.043 7.779 -0.277 1.00 0.45 H new ATOM 0 HA VAL A 28 0.166 8.585 -3.062 1.00 0.54 H new ATOM 0 HB VAL A 28 -1.462 6.386 -1.748 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -1.457 5.398 -4.007 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -2.226 7.002 -3.984 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -0.573 6.817 -4.618 1.00 1.18 H new ATOM 0 HG21 VAL A 28 0.338 4.848 -2.422 1.00 1.07 H new ATOM 0 HG22 VAL A 28 1.316 6.237 -2.953 1.00 1.07 H new ATOM 0 HG23 VAL A 28 0.897 6.050 -1.234 1.00 1.07 H new ATOM 411 N THR A 29 -2.081 9.698 -3.289 1.00 0.61 N ATOM 412 CA THR A 29 -3.336 10.416 -3.394 1.00 0.67 C ATOM 413 C THR A 29 -4.473 9.471 -3.776 1.00 0.65 C ATOM 414 O THR A 29 -4.768 9.271 -4.953 1.00 0.75 O ATOM 415 CB THR A 29 -3.227 11.574 -4.405 1.00 0.79 C ATOM 416 OG1 THR A 29 -2.454 11.164 -5.543 1.00 1.64 O ATOM 417 CG2 THR A 29 -2.585 12.793 -3.760 1.00 1.37 C ATOM 0 H THR A 29 -1.453 9.824 -4.083 1.00 0.61 H new ATOM 0 HA THR A 29 -3.561 10.841 -2.416 1.00 0.67 H new ATOM 0 HB THR A 29 -4.233 11.840 -4.730 1.00 0.79 H new ATOM 0 HG1 THR A 29 -2.392 11.906 -6.181 1.00 1.64 H new ATOM 0 HG21 THR A 29 -2.518 13.599 -4.491 1.00 1.37 H new ATOM 0 HG22 THR A 29 -3.191 13.119 -2.915 1.00 1.37 H new ATOM 0 HG23 THR A 29 -1.585 12.536 -3.411 1.00 1.37 H new ATOM 425 N VAL A 30 -5.092 8.877 -2.763 1.00 0.62 N ATOM 426 CA VAL A 30 -6.133 7.884 -2.972 1.00 0.61 C ATOM 427 C VAL A 30 -7.498 8.539 -3.019 1.00 0.62 C ATOM 428 O VAL A 30 -7.966 9.085 -2.029 1.00 0.87 O ATOM 429 CB VAL A 30 -6.136 6.833 -1.843 1.00 0.77 C ATOM 430 CG1 VAL A 30 -7.213 5.784 -2.076 1.00 0.76 C ATOM 431 CG2 VAL A 30 -4.770 6.180 -1.721 1.00 1.01 C ATOM 0 H VAL A 30 -4.887 9.069 -1.782 1.00 0.62 H new ATOM 0 HA VAL A 30 -5.922 7.395 -3.923 1.00 0.61 H new ATOM 0 HB VAL A 30 -6.361 7.343 -0.906 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -7.193 5.056 -1.265 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -8.190 6.266 -2.106 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -7.029 5.278 -3.023 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -4.790 5.441 -0.920 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -4.516 5.689 -2.661 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -4.022 6.940 -1.495 1.00 1.01 H new ATOM 441 N GLN A 31 -8.140 8.460 -4.159 1.00 0.49 N ATOM 442 CA GLN A 31 -9.462 9.027 -4.323 1.00 0.52 C ATOM 443 C GLN A 31 -10.476 7.920 -4.565 1.00 0.49 C ATOM 444 O GLN A 31 -10.430 7.236 -5.585 1.00 0.54 O ATOM 445 CB GLN A 31 -9.470 10.039 -5.470 1.00 0.62 C ATOM 446 CG GLN A 31 -10.830 10.666 -5.722 1.00 1.15 C ATOM 447 CD GLN A 31 -10.770 11.802 -6.722 1.00 1.59 C ATOM 448 OE1 GLN A 31 -9.767 12.507 -6.817 1.00 2.48 O ATOM 449 NE2 GLN A 31 -11.839 11.989 -7.476 1.00 1.86 N ATOM 0 H GLN A 31 -7.768 8.006 -4.993 1.00 0.49 H new ATOM 0 HA GLN A 31 -9.739 9.553 -3.409 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -8.751 10.828 -5.251 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -9.133 9.545 -6.381 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -11.517 9.902 -6.086 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -11.236 11.036 -4.780 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -12.652 11.383 -7.367 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -11.851 12.740 -8.167 1.00 1.86 H new ATOM 458 N ALA A 32 -11.369 7.736 -3.606 1.00 0.53 N ATOM 459 CA ALA A 32 -12.384 6.698 -3.689 1.00 0.54 C ATOM 460 C ALA A 32 -13.684 7.273 -4.230 1.00 0.56 C ATOM 461 O ALA A 32 -14.435 7.930 -3.507 1.00 0.70 O ATOM 462 CB ALA A 32 -12.600 6.069 -2.322 1.00 0.61 C ATOM 0 H ALA A 32 -11.411 8.297 -2.755 1.00 0.53 H new ATOM 0 HA ALA A 32 -12.043 5.923 -4.375 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.362 5.293 -2.395 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.666 5.629 -1.972 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -12.927 6.834 -1.617 1.00 0.61 H new ATOM 468 N LEU A 33 -13.932 7.032 -5.507 1.00 0.54 N ATOM 469 CA LEU A 33 -15.075 7.606 -6.194 1.00 0.64 C ATOM 470 C LEU A 33 -16.241 6.626 -6.205 1.00 0.75 C ATOM 471 O LEU A 33 -16.086 5.481 -6.611 1.00 0.84 O ATOM 472 CB LEU A 33 -14.682 7.958 -7.637 1.00 0.74 C ATOM 473 CG LEU A 33 -15.421 9.147 -8.271 1.00 1.28 C ATOM 474 CD1 LEU A 33 -14.728 9.574 -9.556 1.00 1.90 C ATOM 475 CD2 LEU A 33 -16.875 8.800 -8.557 1.00 1.94 C ATOM 0 H LEU A 33 -13.349 6.435 -6.094 1.00 0.54 H new ATOM 0 HA LEU A 33 -15.384 8.508 -5.667 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -13.613 8.168 -7.659 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -14.847 7.080 -8.261 1.00 0.74 H new ATOM 0 HG LEU A 33 -15.399 9.973 -7.560 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -15.262 10.417 -9.995 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -13.702 9.869 -9.335 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -14.723 8.742 -10.260 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -17.373 9.660 -9.005 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -16.919 7.956 -9.245 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -17.376 8.535 -7.626 1.00 1.94 H new ATOM 487 N GLY A 34 -17.394 7.078 -5.737 1.00 0.85 N ATOM 488 CA GLY A 34 -18.617 6.315 -5.895 1.00 1.06 C ATOM 489 C GLY A 34 -18.706 5.084 -5.013 1.00 0.98 C ATOM 490 O GLY A 34 -19.390 4.122 -5.362 1.00 1.81 O ATOM 0 H GLY A 34 -17.506 7.966 -5.247 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -19.466 6.964 -5.679 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -18.707 6.008 -6.937 1.00 1.06 H new ATOM 494 N CYS A 35 -18.035 5.103 -3.875 1.00 0.96 N ATOM 495 CA CYS A 35 -18.104 3.981 -2.946 1.00 0.86 C ATOM 496 C CYS A 35 -19.383 4.065 -2.115 1.00 0.96 C ATOM 497 O CYS A 35 -20.269 3.219 -2.245 1.00 1.88 O ATOM 498 CB CYS A 35 -16.869 3.968 -2.048 1.00 0.84 C ATOM 499 SG CYS A 35 -15.301 4.095 -2.963 1.00 1.18 S ATOM 0 H CYS A 35 -17.440 5.874 -3.571 1.00 0.96 H new ATOM 0 HA CYS A 35 -18.125 3.049 -3.511 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -16.935 4.795 -1.341 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -16.865 3.048 -1.463 1.00 0.84 H new ATOM 504 N ASN A 36 -19.458 5.090 -1.261 1.00 0.79 N ATOM 505 CA ASN A 36 -20.667 5.434 -0.492 1.00 0.72 C ATOM 506 C ASN A 36 -21.047 4.397 0.581 1.00 0.69 C ATOM 507 O ASN A 36 -21.347 4.767 1.715 1.00 0.80 O ATOM 508 CB ASN A 36 -21.852 5.693 -1.430 1.00 0.76 C ATOM 509 CG ASN A 36 -21.685 6.964 -2.253 1.00 1.29 C ATOM 510 OD1 ASN A 36 -20.572 7.336 -2.630 1.00 1.75 O ATOM 511 ND2 ASN A 36 -22.785 7.645 -2.540 1.00 2.14 N ATOM 0 H ASN A 36 -18.673 5.715 -1.079 1.00 0.79 H new ATOM 0 HA ASN A 36 -20.420 6.348 0.049 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -21.970 4.843 -2.102 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -22.767 5.764 -0.842 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -22.725 8.503 -3.088 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -23.692 7.311 -2.213 1.00 2.14 H new ATOM 518 N ALA A 37 -21.033 3.115 0.239 1.00 0.65 N ATOM 519 CA ALA A 37 -21.436 2.072 1.180 1.00 0.74 C ATOM 520 C ALA A 37 -20.499 0.863 1.128 1.00 0.70 C ATOM 521 O ALA A 37 -20.902 -0.260 1.428 1.00 0.94 O ATOM 522 CB ALA A 37 -22.867 1.642 0.888 1.00 0.93 C ATOM 0 H ALA A 37 -20.749 2.771 -0.678 1.00 0.65 H new ATOM 0 HA ALA A 37 -21.376 2.487 2.186 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -23.164 0.864 1.592 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -23.533 2.499 0.992 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -22.930 1.255 -0.129 1.00 0.93 H new ATOM 528 N ARG A 38 -19.242 1.097 0.782 1.00 0.59 N ATOM 529 CA ARG A 38 -18.274 0.012 0.650 1.00 0.61 C ATOM 530 C ARG A 38 -16.972 0.376 1.362 1.00 0.50 C ATOM 531 O ARG A 38 -16.724 1.548 1.647 1.00 0.50 O ATOM 532 CB ARG A 38 -17.996 -0.252 -0.833 1.00 0.71 C ATOM 533 CG ARG A 38 -17.286 -1.572 -1.129 1.00 0.98 C ATOM 534 CD ARG A 38 -18.211 -2.778 -0.981 1.00 2.02 C ATOM 535 NE ARG A 38 -18.494 -3.123 0.414 1.00 2.78 N ATOM 536 CZ ARG A 38 -19.647 -3.650 0.832 1.00 3.70 C ATOM 537 NH1 ARG A 38 -20.619 -3.915 -0.033 1.00 4.05 N ATOM 538 NH2 ARG A 38 -19.817 -3.941 2.114 1.00 4.64 N ATOM 0 H ARG A 38 -18.866 2.025 0.587 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.686 -0.887 1.108 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.942 -0.236 -1.374 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.391 0.565 -1.225 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -16.886 -1.547 -2.143 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.437 -1.684 -0.454 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -19.150 -2.572 -1.495 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -17.758 -3.637 -1.476 1.00 2.02 H new ATOM 0 HE ARG A 38 -17.766 -2.950 1.108 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -20.487 -3.716 -1.025 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -21.497 -4.318 0.294 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -19.067 -3.762 2.781 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -20.698 -4.344 2.433 1.00 4.64 H new ATOM 552 N GLN A 39 -16.155 -0.625 1.665 1.00 0.48 N ATOM 553 CA GLN A 39 -14.821 -0.390 2.189 1.00 0.42 C ATOM 554 C GLN A 39 -13.820 -0.328 1.047 1.00 0.42 C ATOM 555 O GLN A 39 -13.927 -1.080 0.075 1.00 0.62 O ATOM 556 CB GLN A 39 -14.401 -1.489 3.172 1.00 0.47 C ATOM 557 CG GLN A 39 -15.122 -2.813 2.974 1.00 0.64 C ATOM 558 CD GLN A 39 -16.413 -2.884 3.762 1.00 0.87 C ATOM 559 OE1 GLN A 39 -17.390 -3.490 3.325 1.00 1.75 O ATOM 560 NE2 GLN A 39 -16.416 -2.274 4.936 1.00 1.40 N ATOM 0 H GLN A 39 -16.397 -1.610 1.555 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.837 0.560 2.723 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -13.328 -1.655 3.077 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -14.580 -1.139 4.189 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -15.337 -2.953 1.915 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -14.468 -3.630 3.277 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -15.582 -1.783 5.258 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -17.253 -2.294 5.519 1.00 1.40 H new ATOM 569 N VAL A 40 -12.867 0.574 1.164 1.00 0.36 N ATOM 570 CA VAL A 40 -11.790 0.681 0.196 1.00 0.38 C ATOM 571 C VAL A 40 -10.604 -0.132 0.689 1.00 0.35 C ATOM 572 O VAL A 40 -10.276 -0.074 1.869 1.00 0.41 O ATOM 573 CB VAL A 40 -11.366 2.151 -0.003 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.276 2.271 -1.055 1.00 0.49 C ATOM 575 CG2 VAL A 40 -12.566 3.011 -0.370 1.00 0.54 C ATOM 0 H VAL A 40 -12.815 1.250 1.926 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.139 0.298 -0.763 1.00 0.38 H new ATOM 0 HB VAL A 40 -10.959 2.513 0.941 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -9.998 3.318 -1.173 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.404 1.697 -0.742 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.643 1.884 -2.005 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.245 4.044 -0.506 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -13.008 2.643 -1.296 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.306 2.963 0.429 1.00 0.54 H new ATOM 585 N ALA A 41 -9.975 -0.890 -0.198 1.00 0.29 N ATOM 586 CA ALA A 41 -8.893 -1.766 0.184 1.00 0.28 C ATOM 587 C ALA A 41 -7.672 -1.521 -0.679 1.00 0.26 C ATOM 588 O ALA A 41 -7.775 -1.407 -1.903 1.00 0.35 O ATOM 589 CB ALA A 41 -9.324 -3.214 0.069 1.00 0.36 C ATOM 0 H ALA A 41 -10.203 -0.911 -1.192 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.633 -1.553 1.221 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.498 -3.864 0.360 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -10.176 -3.393 0.725 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.608 -3.428 -0.961 1.00 0.36 H new ATOM 595 N LEU A 42 -6.524 -1.458 -0.041 1.00 0.27 N ATOM 596 CA LEU A 42 -5.267 -1.280 -0.743 1.00 0.31 C ATOM 597 C LEU A 42 -4.536 -2.607 -0.799 1.00 0.31 C ATOM 598 O LEU A 42 -4.021 -3.083 0.209 1.00 0.48 O ATOM 599 CB LEU A 42 -4.408 -0.252 -0.015 1.00 0.39 C ATOM 600 CG LEU A 42 -5.178 0.955 0.499 1.00 0.52 C ATOM 601 CD1 LEU A 42 -4.339 1.749 1.487 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.621 1.841 -0.655 1.00 0.84 C ATOM 0 H LEU A 42 -6.433 -1.528 0.973 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.463 -0.926 -1.755 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -3.914 -0.739 0.826 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.624 0.092 -0.689 1.00 0.39 H new ATOM 0 HG LEU A 42 -6.067 0.594 1.017 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -4.910 2.607 1.841 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -4.075 1.114 2.333 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -3.430 2.096 0.996 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -6.170 2.698 -0.266 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -4.746 2.189 -1.203 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -6.265 1.271 -1.325 1.00 0.84 H new ATOM 614 N LYS A 43 -4.534 -3.221 -1.965 1.00 0.34 N ATOM 615 CA LYS A 43 -3.869 -4.496 -2.144 1.00 0.37 C ATOM 616 C LYS A 43 -2.628 -4.277 -2.975 1.00 0.38 C ATOM 617 O LYS A 43 -2.696 -3.700 -4.058 1.00 0.53 O ATOM 618 CB LYS A 43 -4.769 -5.531 -2.840 1.00 0.42 C ATOM 619 CG LYS A 43 -6.063 -5.882 -2.103 1.00 0.49 C ATOM 620 CD LYS A 43 -7.101 -4.764 -2.146 1.00 1.00 C ATOM 621 CE LYS A 43 -7.289 -4.225 -3.553 1.00 1.29 C ATOM 622 NZ LYS A 43 -8.490 -3.356 -3.681 1.00 1.93 N ATOM 0 H LYS A 43 -4.986 -2.857 -2.804 1.00 0.34 H new ATOM 0 HA LYS A 43 -3.620 -4.890 -1.159 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -5.026 -5.155 -3.830 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -4.195 -6.446 -2.986 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.491 -6.783 -2.542 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -5.830 -6.113 -1.064 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -8.053 -5.137 -1.769 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -6.792 -3.955 -1.485 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -6.404 -3.658 -3.842 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -7.374 -5.060 -4.249 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -8.647 -3.127 -4.683 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -9.321 -3.855 -3.305 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -8.342 -2.478 -3.144 1.00 1.93 H new ATOM 636 N ALA A 44 -1.499 -4.703 -2.465 1.00 0.36 N ATOM 637 CA ALA A 44 -0.261 -4.564 -3.196 1.00 0.37 C ATOM 638 C ALA A 44 -0.218 -5.553 -4.352 1.00 0.34 C ATOM 639 O ALA A 44 -0.912 -6.570 -4.338 1.00 0.36 O ATOM 640 CB ALA A 44 0.917 -4.759 -2.267 1.00 0.41 C ATOM 0 H ALA A 44 -1.410 -5.147 -1.551 1.00 0.36 H new ATOM 0 HA ALA A 44 -0.203 -3.558 -3.611 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.845 -4.652 -2.829 1.00 0.41 H new ATOM 0 HB2 ALA A 44 0.884 -4.011 -1.475 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.872 -5.755 -1.827 1.00 0.41 H new ATOM 646 N ASP A 45 0.584 -5.244 -5.354 1.00 0.36 N ATOM 647 CA ASP A 45 0.709 -6.101 -6.521 1.00 0.39 C ATOM 648 C ASP A 45 1.472 -7.365 -6.154 1.00 0.37 C ATOM 649 O ASP A 45 2.370 -7.324 -5.319 1.00 0.35 O ATOM 650 CB ASP A 45 1.418 -5.357 -7.653 1.00 0.45 C ATOM 651 CG ASP A 45 1.565 -6.200 -8.905 1.00 0.57 C ATOM 652 OD1 ASP A 45 0.620 -6.229 -9.722 1.00 0.71 O ATOM 653 OD2 ASP A 45 2.625 -6.837 -9.077 1.00 0.64 O ATOM 0 H ASP A 45 1.161 -4.403 -5.384 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.287 -6.379 -6.865 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.860 -4.452 -7.893 1.00 0.45 H new ATOM 0 HB3 ASP A 45 2.405 -5.043 -7.314 1.00 0.45 H new ATOM 658 N THR A 46 1.129 -8.474 -6.800 1.00 0.47 N ATOM 659 CA THR A 46 1.639 -9.794 -6.425 1.00 0.55 C ATOM 660 C THR A 46 3.166 -9.902 -6.548 1.00 0.47 C ATOM 661 O THR A 46 3.753 -10.914 -6.166 1.00 0.56 O ATOM 662 CB THR A 46 0.970 -10.900 -7.272 1.00 0.76 C ATOM 663 OG1 THR A 46 1.333 -12.200 -6.783 1.00 1.40 O ATOM 664 CG2 THR A 46 1.362 -10.779 -8.740 1.00 0.99 C ATOM 0 H THR A 46 0.492 -8.487 -7.596 1.00 0.47 H new ATOM 0 HA THR A 46 1.386 -9.931 -5.374 1.00 0.55 H new ATOM 0 HB THR A 46 -0.109 -10.774 -7.187 1.00 0.76 H new ATOM 0 HG1 THR A 46 2.208 -12.152 -6.344 1.00 1.40 H new ATOM 0 HG21 THR A 46 0.877 -11.570 -9.312 1.00 0.99 H new ATOM 0 HG22 THR A 46 1.046 -9.808 -9.122 1.00 0.99 H new ATOM 0 HG23 THR A 46 2.444 -10.872 -8.837 1.00 0.99 H new ATOM 672 N ASP A 47 3.809 -8.877 -7.082 1.00 0.42 N ATOM 673 CA ASP A 47 5.260 -8.867 -7.165 1.00 0.50 C ATOM 674 C ASP A 47 5.868 -8.498 -5.812 1.00 0.43 C ATOM 675 O ASP A 47 6.961 -8.949 -5.463 1.00 0.47 O ATOM 676 CB ASP A 47 5.727 -7.896 -8.249 1.00 0.66 C ATOM 677 CG ASP A 47 7.178 -8.105 -8.623 1.00 1.42 C ATOM 678 OD1 ASP A 47 7.590 -9.267 -8.802 1.00 1.72 O ATOM 679 OD2 ASP A 47 7.917 -7.099 -8.725 1.00 2.22 O ATOM 0 H ASP A 47 3.354 -8.047 -7.462 1.00 0.42 H new ATOM 0 HA ASP A 47 5.599 -9.868 -7.433 1.00 0.50 H new ATOM 0 HB2 ASP A 47 5.105 -8.018 -9.135 1.00 0.66 H new ATOM 0 HB3 ASP A 47 5.588 -6.873 -7.901 1.00 0.66 H new ATOM 684 N ASN A 48 5.128 -7.707 -5.041 1.00 0.38 N ATOM 685 CA ASN A 48 5.561 -7.276 -3.715 1.00 0.39 C ATOM 686 C ASN A 48 4.501 -7.662 -2.679 1.00 0.37 C ATOM 687 O ASN A 48 4.465 -7.124 -1.570 1.00 0.42 O ATOM 688 CB ASN A 48 5.812 -5.751 -3.692 1.00 0.50 C ATOM 689 CG ASN A 48 4.559 -4.936 -3.941 1.00 0.65 C ATOM 690 OD1 ASN A 48 4.163 -4.714 -5.085 1.00 1.35 O ATOM 691 ND2 ASN A 48 3.952 -4.448 -2.874 1.00 1.19 N ATOM 0 H ASN A 48 4.214 -7.347 -5.316 1.00 0.38 H new ATOM 0 HA ASN A 48 6.499 -7.775 -3.469 1.00 0.39 H new ATOM 0 HB2 ASN A 48 6.232 -5.473 -2.725 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.557 -5.500 -4.447 1.00 0.50 H new ATOM 0 HD21 ASN A 48 3.123 -3.864 -2.982 1.00 1.19 H new ATOM 0 HD22 ASN A 48 4.312 -4.656 -1.943 1.00 1.19 H new ATOM 698 N PHE A 49 3.658 -8.620 -3.058 1.00 0.35 N ATOM 699 CA PHE A 49 2.520 -9.054 -2.246 1.00 0.36 C ATOM 700 C PHE A 49 2.415 -10.572 -2.270 1.00 0.38 C ATOM 701 O PHE A 49 2.040 -11.158 -3.286 1.00 0.39 O ATOM 702 CB PHE A 49 1.247 -8.413 -2.808 1.00 0.38 C ATOM 703 CG PHE A 49 -0.061 -8.831 -2.199 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.443 -8.346 -0.956 1.00 0.39 C ATOM 705 CD2 PHE A 49 -0.876 -9.750 -2.831 1.00 0.51 C ATOM 706 CE1 PHE A 49 -1.613 -8.773 -0.358 1.00 0.42 C ATOM 707 CE2 PHE A 49 -2.051 -10.171 -2.243 1.00 0.56 C ATOM 708 CZ PHE A 49 -2.538 -9.519 -1.142 1.00 0.46 C ATOM 0 H PHE A 49 3.745 -9.121 -3.942 1.00 0.35 H new ATOM 0 HA PHE A 49 2.655 -8.742 -1.210 1.00 0.36 H new ATOM 0 HB2 PHE A 49 1.338 -7.332 -2.702 1.00 0.38 H new ATOM 0 HB3 PHE A 49 1.205 -8.626 -3.876 1.00 0.38 H new ATOM 0 HD1 PHE A 49 0.182 -7.626 -0.450 1.00 0.39 H new ATOM 0 HD2 PHE A 49 -0.590 -10.143 -3.796 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -1.821 -8.547 0.677 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.587 -11.015 -2.651 1.00 0.56 H new ATOM 0 HZ PHE A 49 -3.584 -9.569 -0.878 1.00 0.46 H new ATOM 718 N GLU A 50 2.761 -11.203 -1.161 1.00 0.44 N ATOM 719 CA GLU A 50 2.754 -12.657 -1.077 1.00 0.52 C ATOM 720 C GLU A 50 1.534 -13.144 -0.312 1.00 0.52 C ATOM 721 O GLU A 50 1.533 -13.144 0.921 1.00 0.54 O ATOM 722 CB GLU A 50 4.029 -13.158 -0.399 1.00 0.65 C ATOM 723 CG GLU A 50 5.296 -12.764 -1.134 1.00 1.22 C ATOM 724 CD GLU A 50 5.321 -13.276 -2.557 1.00 1.82 C ATOM 725 OE1 GLU A 50 5.566 -14.484 -2.751 1.00 2.15 O ATOM 726 OE2 GLU A 50 5.097 -12.479 -3.489 1.00 2.41 O ATOM 0 H GLU A 50 3.051 -10.732 -0.304 1.00 0.44 H new ATOM 0 HA GLU A 50 2.713 -13.056 -2.090 1.00 0.52 H new ATOM 0 HB2 GLU A 50 4.070 -12.765 0.617 1.00 0.65 H new ATOM 0 HB3 GLU A 50 3.987 -14.244 -0.319 1.00 0.65 H new ATOM 0 HG2 GLU A 50 5.386 -11.678 -1.140 1.00 1.22 H new ATOM 0 HG3 GLU A 50 6.161 -13.153 -0.596 1.00 1.22 H new ATOM 733 N GLN A 51 0.493 -13.523 -1.060 1.00 0.63 N ATOM 734 CA GLN A 51 -0.767 -14.038 -0.503 1.00 0.76 C ATOM 735 C GLN A 51 -1.547 -12.957 0.249 1.00 0.72 C ATOM 736 O GLN A 51 -2.727 -12.736 -0.016 1.00 1.07 O ATOM 737 CB GLN A 51 -0.513 -15.248 0.411 1.00 0.87 C ATOM 738 CG GLN A 51 -1.781 -15.827 1.025 1.00 1.71 C ATOM 739 CD GLN A 51 -2.797 -16.261 -0.017 1.00 2.56 C ATOM 740 OE1 GLN A 51 -2.438 -16.676 -1.120 1.00 2.92 O ATOM 741 NE2 GLN A 51 -4.073 -16.162 0.326 1.00 3.43 N ATOM 0 H GLN A 51 0.499 -13.481 -2.079 1.00 0.63 H new ATOM 0 HA GLN A 51 -1.378 -14.359 -1.346 1.00 0.76 H new ATOM 0 HB2 GLN A 51 -0.009 -16.026 -0.162 1.00 0.87 H new ATOM 0 HB3 GLN A 51 0.165 -14.952 1.211 1.00 0.87 H new ATOM 0 HG2 GLN A 51 -1.519 -16.682 1.648 1.00 1.71 H new ATOM 0 HG3 GLN A 51 -2.235 -15.083 1.679 1.00 1.71 H new ATOM 0 HE21 GLN A 51 -4.327 -15.813 1.250 1.00 3.43 H new ATOM 0 HE22 GLN A 51 -4.801 -16.435 -0.334 1.00 3.43 H new ATOM 750 N GLY A 52 -0.883 -12.292 1.178 1.00 0.56 N ATOM 751 CA GLY A 52 -1.521 -11.271 1.971 1.00 0.52 C ATOM 752 C GLY A 52 -0.532 -10.560 2.866 1.00 0.48 C ATOM 753 O GLY A 52 -0.839 -10.229 4.010 1.00 0.52 O ATOM 0 H GLY A 52 0.101 -12.446 1.398 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -2.003 -10.547 1.314 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -2.306 -11.720 2.580 1.00 0.52 H new ATOM 757 N LYS A 53 0.670 -10.355 2.348 1.00 0.47 N ATOM 758 CA LYS A 53 1.686 -9.555 3.016 1.00 0.47 C ATOM 759 C LYS A 53 2.375 -8.705 1.956 1.00 0.42 C ATOM 760 O LYS A 53 2.732 -9.224 0.899 1.00 0.41 O ATOM 761 CB LYS A 53 2.732 -10.452 3.700 1.00 0.53 C ATOM 762 CG LYS A 53 2.151 -11.586 4.535 1.00 1.01 C ATOM 763 CD LYS A 53 1.701 -11.108 5.902 1.00 0.65 C ATOM 764 CE LYS A 53 2.888 -10.819 6.806 1.00 1.27 C ATOM 765 NZ LYS A 53 3.606 -12.062 7.193 1.00 2.12 N ATOM 0 H LYS A 53 0.969 -10.739 1.452 1.00 0.47 H new ATOM 0 HA LYS A 53 1.218 -8.936 3.781 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.381 -10.878 2.935 1.00 0.53 H new ATOM 0 HB3 LYS A 53 3.359 -9.832 4.341 1.00 0.53 H new ATOM 0 HG2 LYS A 53 1.305 -12.028 4.008 1.00 1.01 H new ATOM 0 HG3 LYS A 53 2.899 -12.370 4.653 1.00 1.01 H new ATOM 0 HD2 LYS A 53 1.096 -10.208 5.794 1.00 0.65 H new ATOM 0 HD3 LYS A 53 1.066 -11.865 6.363 1.00 0.65 H new ATOM 0 HE2 LYS A 53 3.577 -10.146 6.296 1.00 1.27 H new ATOM 0 HE3 LYS A 53 2.544 -10.304 7.703 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 4.225 -11.867 8.006 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 2.916 -12.796 7.452 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 4.181 -12.394 6.393 1.00 2.12 H new ATOM 779 N PHE A 54 2.560 -7.422 2.218 1.00 0.44 N ATOM 780 CA PHE A 54 3.222 -6.563 1.253 1.00 0.41 C ATOM 781 C PHE A 54 4.511 -5.972 1.804 1.00 0.39 C ATOM 782 O PHE A 54 4.646 -5.718 3.003 1.00 0.44 O ATOM 783 CB PHE A 54 2.293 -5.456 0.711 1.00 0.43 C ATOM 784 CG PHE A 54 1.475 -4.689 1.729 1.00 0.44 C ATOM 785 CD1 PHE A 54 2.051 -4.161 2.873 1.00 0.53 C ATOM 786 CD2 PHE A 54 0.117 -4.485 1.519 1.00 0.41 C ATOM 787 CE1 PHE A 54 1.293 -3.454 3.786 1.00 0.56 C ATOM 788 CE2 PHE A 54 -0.645 -3.773 2.430 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.055 -3.260 3.565 1.00 0.51 C ATOM 0 H PHE A 54 2.266 -6.958 3.078 1.00 0.44 H new ATOM 0 HA PHE A 54 3.484 -7.203 0.411 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.903 -4.742 0.158 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.606 -5.909 -0.004 1.00 0.43 H new ATOM 0 HD1 PHE A 54 3.106 -4.304 3.053 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.351 -4.887 0.633 1.00 0.41 H new ATOM 0 HE1 PHE A 54 1.757 -3.052 4.675 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -1.699 -3.620 2.252 1.00 0.44 H new ATOM 0 HZ PHE A 54 -0.647 -2.707 4.280 1.00 0.51 H new ATOM 799 N PHE A 55 5.458 -5.788 0.905 1.00 0.37 N ATOM 800 CA PHE A 55 6.765 -5.252 1.236 1.00 0.36 C ATOM 801 C PHE A 55 7.321 -4.497 0.046 1.00 0.42 C ATOM 802 O PHE A 55 6.671 -4.400 -0.994 1.00 0.55 O ATOM 803 CB PHE A 55 7.733 -6.382 1.613 1.00 0.36 C ATOM 804 CG PHE A 55 7.630 -7.587 0.717 1.00 0.39 C ATOM 805 CD1 PHE A 55 8.277 -7.616 -0.508 1.00 0.41 C ATOM 806 CD2 PHE A 55 6.892 -8.693 1.106 1.00 0.53 C ATOM 807 CE1 PHE A 55 8.189 -8.725 -1.326 1.00 0.48 C ATOM 808 CE2 PHE A 55 6.799 -9.803 0.291 1.00 0.59 C ATOM 809 CZ PHE A 55 7.433 -9.804 -0.946 1.00 0.54 C ATOM 0 H PHE A 55 5.342 -6.008 -0.084 1.00 0.37 H new ATOM 0 HA PHE A 55 6.658 -4.579 2.087 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.754 -6.001 1.580 1.00 0.36 H new ATOM 0 HB3 PHE A 55 7.540 -6.687 2.642 1.00 0.36 H new ATOM 0 HD1 PHE A 55 8.856 -6.762 -0.826 1.00 0.41 H new ATOM 0 HD2 PHE A 55 6.383 -8.687 2.059 1.00 0.53 H new ATOM 0 HE1 PHE A 55 8.717 -8.743 -2.268 1.00 0.48 H new ATOM 0 HE2 PHE A 55 6.236 -10.667 0.613 1.00 0.59 H new ATOM 0 HZ PHE A 55 7.330 -10.653 -1.606 1.00 0.54 H new ATOM 819 N LEU A 56 8.516 -3.960 0.207 1.00 0.37 N ATOM 820 CA LEU A 56 9.243 -3.408 -0.918 1.00 0.44 C ATOM 821 C LEU A 56 10.077 -4.521 -1.529 1.00 0.44 C ATOM 822 O LEU A 56 10.904 -5.122 -0.839 1.00 0.53 O ATOM 823 CB LEU A 56 10.187 -2.260 -0.513 1.00 0.53 C ATOM 824 CG LEU A 56 9.603 -1.115 0.324 1.00 0.81 C ATOM 825 CD1 LEU A 56 8.116 -0.937 0.076 1.00 1.53 C ATOM 826 CD2 LEU A 56 9.895 -1.331 1.796 1.00 1.27 C ATOM 0 H LEU A 56 9.001 -3.895 1.102 1.00 0.37 H new ATOM 0 HA LEU A 56 8.515 -3.002 -1.621 1.00 0.44 H new ATOM 0 HB2 LEU A 56 11.019 -2.691 0.044 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.602 -1.830 -1.425 1.00 0.53 H new ATOM 0 HG LEU A 56 10.089 -0.191 0.011 1.00 0.81 H new ATOM 0 HD11 LEU A 56 7.741 -0.116 0.688 1.00 1.53 H new ATOM 0 HD12 LEU A 56 7.947 -0.711 -0.977 1.00 1.53 H new ATOM 0 HD13 LEU A 56 7.591 -1.855 0.339 1.00 1.53 H new ATOM 0 HD21 LEU A 56 9.473 -0.509 2.375 1.00 1.27 H new ATOM 0 HD22 LEU A 56 9.449 -2.271 2.121 1.00 1.27 H new ATOM 0 HD23 LEU A 56 10.973 -1.369 1.951 1.00 1.27 H new ATOM 838 N ILE A 57 9.866 -4.810 -2.800 1.00 0.42 N ATOM 839 CA ILE A 57 10.667 -5.818 -3.467 1.00 0.45 C ATOM 840 C ILE A 57 11.642 -5.141 -4.421 1.00 0.46 C ATOM 841 O ILE A 57 11.250 -4.441 -5.352 1.00 0.52 O ATOM 842 CB ILE A 57 9.804 -6.872 -4.214 1.00 0.53 C ATOM 843 CG1 ILE A 57 10.697 -7.957 -4.823 1.00 0.57 C ATOM 844 CG2 ILE A 57 8.934 -6.232 -5.286 1.00 0.62 C ATOM 845 CD1 ILE A 57 11.479 -8.745 -3.795 1.00 0.57 C ATOM 0 H ILE A 57 9.156 -4.368 -3.384 1.00 0.42 H new ATOM 0 HA ILE A 57 11.220 -6.363 -2.702 1.00 0.45 H new ATOM 0 HB ILE A 57 9.138 -7.331 -3.484 1.00 0.53 H new ATOM 0 HG12 ILE A 57 10.078 -8.643 -5.401 1.00 0.57 H new ATOM 0 HG13 ILE A 57 11.394 -7.493 -5.520 1.00 0.57 H new ATOM 0 HG21 ILE A 57 8.346 -7.002 -5.785 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.264 -5.506 -4.825 1.00 0.62 H new ATOM 0 HG23 ILE A 57 9.568 -5.729 -6.016 1.00 0.62 H new ATOM 0 HD11 ILE A 57 12.089 -9.495 -4.298 1.00 0.57 H new ATOM 0 HD12 ILE A 57 12.125 -8.070 -3.233 1.00 0.57 H new ATOM 0 HD13 ILE A 57 10.788 -9.238 -3.112 1.00 0.57 H new ATOM 857 N SER A 58 12.921 -5.304 -4.153 1.00 0.52 N ATOM 858 CA SER A 58 13.933 -4.651 -4.952 1.00 0.62 C ATOM 859 C SER A 58 14.032 -5.311 -6.314 1.00 0.72 C ATOM 860 O SER A 58 13.828 -6.518 -6.443 1.00 0.77 O ATOM 861 CB SER A 58 15.294 -4.695 -4.246 1.00 0.78 C ATOM 862 OG SER A 58 16.252 -3.905 -4.936 1.00 1.44 O ATOM 0 H SER A 58 13.282 -5.880 -3.392 1.00 0.52 H new ATOM 0 HA SER A 58 13.645 -3.608 -5.083 1.00 0.62 H new ATOM 0 HB2 SER A 58 15.189 -4.334 -3.223 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.643 -5.726 -4.186 1.00 0.78 H new ATOM 0 HG SER A 58 15.813 -3.113 -5.312 1.00 1.44 H new ATOM 868 N ASP A 59 14.358 -4.514 -7.323 1.00 0.97 N ATOM 869 CA ASP A 59 14.619 -5.034 -8.659 1.00 1.18 C ATOM 870 C ASP A 59 15.902 -5.860 -8.648 1.00 1.20 C ATOM 871 O ASP A 59 16.253 -6.512 -9.628 1.00 1.34 O ATOM 872 CB ASP A 59 14.732 -3.886 -9.672 1.00 1.57 C ATOM 873 CG ASP A 59 13.479 -3.026 -9.729 1.00 1.80 C ATOM 874 OD1 ASP A 59 12.498 -3.430 -10.383 1.00 2.17 O ATOM 875 OD2 ASP A 59 13.473 -1.936 -9.117 1.00 2.31 O ATOM 0 H ASP A 59 14.448 -3.501 -7.241 1.00 0.97 H new ATOM 0 HA ASP A 59 13.787 -5.671 -8.958 1.00 1.18 H new ATOM 0 HB2 ASP A 59 15.585 -3.260 -9.411 1.00 1.57 H new ATOM 0 HB3 ASP A 59 14.930 -4.298 -10.661 1.00 1.57 H new ATOM 880 N ASN A 60 16.603 -5.810 -7.518 1.00 1.26 N ATOM 881 CA ASN A 60 17.799 -6.614 -7.303 1.00 1.52 C ATOM 882 C ASN A 60 17.439 -7.898 -6.562 1.00 1.40 C ATOM 883 O ASN A 60 18.298 -8.737 -6.309 1.00 1.74 O ATOM 884 CB ASN A 60 18.833 -5.822 -6.495 1.00 1.82 C ATOM 885 CG ASN A 60 19.182 -4.494 -7.141 1.00 2.52 C ATOM 886 OD1 ASN A 60 20.074 -4.415 -7.978 1.00 3.09 O ATOM 887 ND2 ASN A 60 18.482 -3.440 -6.750 1.00 3.05 N ATOM 0 H ASN A 60 16.357 -5.212 -6.729 1.00 1.26 H new ATOM 0 HA ASN A 60 18.227 -6.868 -8.273 1.00 1.52 H new ATOM 0 HB2 ASN A 60 18.446 -5.644 -5.492 1.00 1.82 H new ATOM 0 HB3 ASN A 60 19.739 -6.419 -6.386 1.00 1.82 H new ATOM 0 HD21 ASN A 60 18.678 -2.522 -7.148 1.00 3.05 H new ATOM 0 HD22 ASN A 60 17.747 -3.547 -6.051 1.00 3.05 H new ATOM 894 N ASN A 61 16.152 -8.010 -6.202 1.00 1.11 N ATOM 895 CA ASN A 61 15.568 -9.174 -5.503 1.00 1.06 C ATOM 896 C ASN A 61 16.423 -9.679 -4.333 1.00 1.11 C ATOM 897 O ASN A 61 16.345 -10.849 -3.957 1.00 1.55 O ATOM 898 CB ASN A 61 15.261 -10.322 -6.492 1.00 1.29 C ATOM 899 CG ASN A 61 16.490 -11.040 -7.035 1.00 1.85 C ATOM 900 OD1 ASN A 61 17.057 -10.646 -8.054 1.00 2.62 O ATOM 901 ND2 ASN A 61 16.889 -12.118 -6.375 1.00 2.37 N ATOM 0 H ASN A 61 15.468 -7.278 -6.392 1.00 1.11 H new ATOM 0 HA ASN A 61 14.633 -8.821 -5.068 1.00 1.06 H new ATOM 0 HB2 ASN A 61 14.622 -11.051 -5.994 1.00 1.29 H new ATOM 0 HB3 ASN A 61 14.693 -9.919 -7.330 1.00 1.29 H new ATOM 0 HD21 ASN A 61 17.692 -12.652 -6.708 1.00 2.37 H new ATOM 0 HD22 ASN A 61 16.393 -12.414 -5.534 1.00 2.37 H new ATOM 908 N ARG A 62 17.193 -8.792 -3.719 1.00 0.98 N ATOM 909 CA ARG A 62 18.052 -9.181 -2.608 1.00 1.06 C ATOM 910 C ARG A 62 17.298 -9.129 -1.288 1.00 0.90 C ATOM 911 O ARG A 62 17.257 -10.111 -0.549 1.00 1.01 O ATOM 912 CB ARG A 62 19.287 -8.283 -2.530 1.00 1.27 C ATOM 913 CG ARG A 62 20.217 -8.421 -3.718 1.00 1.79 C ATOM 914 CD ARG A 62 21.401 -7.478 -3.606 1.00 2.44 C ATOM 915 NE ARG A 62 22.270 -7.559 -4.776 1.00 3.13 N ATOM 916 CZ ARG A 62 22.949 -6.530 -5.272 1.00 3.67 C ATOM 917 NH1 ARG A 62 22.890 -5.346 -4.671 1.00 3.55 N ATOM 918 NH2 ARG A 62 23.700 -6.692 -6.353 1.00 4.66 N ATOM 0 H ARG A 62 17.241 -7.804 -3.969 1.00 0.98 H new ATOM 0 HA ARG A 62 18.372 -10.207 -2.789 1.00 1.06 H new ATOM 0 HB2 ARG A 62 18.966 -7.245 -2.450 1.00 1.27 H new ATOM 0 HB3 ARG A 62 19.838 -8.517 -1.619 1.00 1.27 H new ATOM 0 HG2 ARG A 62 20.574 -9.449 -3.786 1.00 1.79 H new ATOM 0 HG3 ARG A 62 19.669 -8.212 -4.637 1.00 1.79 H new ATOM 0 HD2 ARG A 62 21.042 -6.455 -3.490 1.00 2.44 H new ATOM 0 HD3 ARG A 62 21.974 -7.718 -2.710 1.00 2.44 H new ATOM 0 HE ARG A 62 22.362 -8.462 -5.242 1.00 3.13 H new ATOM 0 HH11 ARG A 62 22.324 -5.228 -3.830 1.00 3.55 H new ATOM 0 HH12 ARG A 62 23.411 -4.555 -5.050 1.00 3.55 H new ATOM 0 HH21 ARG A 62 23.756 -7.606 -6.803 1.00 4.66 H new ATOM 0 HH22 ARG A 62 24.222 -5.903 -6.735 1.00 4.66 H new ATOM 932 N ASP A 63 16.694 -7.986 -0.999 1.00 0.81 N ATOM 933 CA ASP A 63 16.028 -7.777 0.281 1.00 0.75 C ATOM 934 C ASP A 63 14.586 -7.341 0.072 1.00 0.61 C ATOM 935 O ASP A 63 14.226 -6.843 -0.999 1.00 0.69 O ATOM 936 CB ASP A 63 16.761 -6.709 1.099 1.00 0.92 C ATOM 937 CG ASP A 63 18.256 -6.931 1.161 1.00 1.70 C ATOM 938 OD1 ASP A 63 18.702 -7.727 2.014 1.00 2.02 O ATOM 939 OD2 ASP A 63 18.994 -6.310 0.365 1.00 2.51 O ATOM 0 H ASP A 63 16.651 -7.188 -1.633 1.00 0.81 H new ATOM 0 HA ASP A 63 16.042 -8.723 0.823 1.00 0.75 H new ATOM 0 HB2 ASP A 63 16.563 -5.729 0.666 1.00 0.92 H new ATOM 0 HB3 ASP A 63 16.359 -6.697 2.112 1.00 0.92 H new ATOM 944 N LYS A 64 13.773 -7.523 1.104 1.00 0.51 N ATOM 945 CA LYS A 64 12.383 -7.096 1.082 1.00 0.48 C ATOM 946 C LYS A 64 11.963 -6.634 2.478 1.00 0.52 C ATOM 947 O LYS A 64 12.243 -7.304 3.473 1.00 0.86 O ATOM 948 CB LYS A 64 11.479 -8.231 0.560 1.00 0.57 C ATOM 949 CG LYS A 64 11.472 -9.498 1.410 1.00 0.65 C ATOM 950 CD LYS A 64 10.356 -9.477 2.447 1.00 0.84 C ATOM 951 CE LYS A 64 10.333 -10.746 3.283 1.00 1.52 C ATOM 952 NZ LYS A 64 10.116 -11.962 2.456 1.00 2.07 N ATOM 0 H LYS A 64 14.058 -7.969 1.976 1.00 0.51 H new ATOM 0 HA LYS A 64 12.273 -6.253 0.399 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.458 -7.856 0.486 1.00 0.57 H new ATOM 0 HB3 LYS A 64 11.796 -8.492 -0.450 1.00 0.57 H new ATOM 0 HG2 LYS A 64 11.352 -10.368 0.765 1.00 0.65 H new ATOM 0 HG3 LYS A 64 12.433 -9.604 1.913 1.00 0.65 H new ATOM 0 HD2 LYS A 64 10.484 -8.614 3.101 1.00 0.84 H new ATOM 0 HD3 LYS A 64 9.396 -9.356 1.945 1.00 0.84 H new ATOM 0 HE2 LYS A 64 11.275 -10.840 3.823 1.00 1.52 H new ATOM 0 HE3 LYS A 64 9.543 -10.672 4.030 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 9.905 -12.770 3.076 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 9.317 -11.804 1.809 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 10.974 -12.164 1.903 1.00 2.07 H new ATOM 966 N LEU A 65 11.308 -5.485 2.554 1.00 0.34 N ATOM 967 CA LEU A 65 10.954 -4.891 3.838 1.00 0.34 C ATOM 968 C LEU A 65 9.476 -4.560 3.847 1.00 0.38 C ATOM 969 O LEU A 65 8.970 -3.981 2.894 1.00 0.72 O ATOM 970 CB LEU A 65 11.745 -3.603 4.115 1.00 0.52 C ATOM 971 CG LEU A 65 13.273 -3.708 4.139 1.00 1.18 C ATOM 972 CD1 LEU A 65 13.734 -4.929 4.919 1.00 1.98 C ATOM 973 CD2 LEU A 65 13.848 -3.704 2.728 1.00 1.96 C ATOM 0 H LEU A 65 11.010 -4.944 1.742 1.00 0.34 H new ATOM 0 HA LEU A 65 11.198 -5.617 4.614 1.00 0.34 H new ATOM 0 HB2 LEU A 65 11.469 -2.869 3.358 1.00 0.52 H new ATOM 0 HB3 LEU A 65 11.419 -3.207 5.077 1.00 0.52 H new ATOM 0 HG LEU A 65 13.655 -2.827 4.655 1.00 1.18 H new ATOM 0 HD11 LEU A 65 14.823 -4.973 4.916 1.00 1.98 H new ATOM 0 HD12 LEU A 65 13.376 -4.861 5.946 1.00 1.98 H new ATOM 0 HD13 LEU A 65 13.333 -5.830 4.455 1.00 1.98 H new ATOM 0 HD21 LEU A 65 14.934 -3.780 2.778 1.00 1.96 H new ATOM 0 HD22 LEU A 65 13.450 -4.552 2.171 1.00 1.96 H new ATOM 0 HD23 LEU A 65 13.571 -2.777 2.225 1.00 1.96 H new ATOM 985 N TYR A 66 8.789 -4.919 4.912 1.00 0.32 N ATOM 986 CA TYR A 66 7.358 -4.683 5.000 1.00 0.34 C ATOM 987 C TYR A 66 7.079 -3.210 5.272 1.00 0.36 C ATOM 988 O TYR A 66 7.777 -2.563 6.055 1.00 0.44 O ATOM 989 CB TYR A 66 6.740 -5.556 6.094 1.00 0.39 C ATOM 990 CG TYR A 66 6.973 -7.037 5.889 1.00 0.41 C ATOM 991 CD1 TYR A 66 8.163 -7.644 6.283 1.00 0.55 C ATOM 992 CD2 TYR A 66 5.995 -7.830 5.302 1.00 0.50 C ATOM 993 CE1 TYR A 66 8.366 -8.997 6.095 1.00 0.64 C ATOM 994 CE2 TYR A 66 6.192 -9.181 5.113 1.00 0.59 C ATOM 995 CZ TYR A 66 7.425 -9.755 5.514 1.00 0.62 C ATOM 996 OH TYR A 66 7.573 -11.111 5.320 1.00 0.75 O ATOM 0 H TYR A 66 9.195 -5.375 5.729 1.00 0.32 H new ATOM 0 HA TYR A 66 6.903 -4.951 4.047 1.00 0.34 H new ATOM 0 HB2 TYR A 66 7.153 -5.262 7.059 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.667 -5.367 6.135 1.00 0.39 H new ATOM 0 HD1 TYR A 66 8.938 -7.048 6.742 1.00 0.55 H new ATOM 0 HD2 TYR A 66 5.065 -7.380 4.988 1.00 0.50 H new ATOM 0 HE1 TYR A 66 9.292 -9.449 6.419 1.00 0.64 H new ATOM 0 HE2 TYR A 66 5.421 -9.792 4.667 1.00 0.59 H new ATOM 0 HH TYR A 66 6.772 -11.468 4.883 1.00 0.75 H new ATOM 1006 N VAL A 67 6.076 -2.682 4.595 1.00 0.35 N ATOM 1007 CA VAL A 67 5.654 -1.305 4.786 1.00 0.38 C ATOM 1008 C VAL A 67 4.239 -1.254 5.300 1.00 0.40 C ATOM 1009 O VAL A 67 3.534 -2.258 5.301 1.00 0.73 O ATOM 1010 CB VAL A 67 5.734 -0.479 3.491 1.00 0.49 C ATOM 1011 CG1 VAL A 67 7.160 -0.036 3.240 1.00 0.67 C ATOM 1012 CG2 VAL A 67 5.194 -1.270 2.306 1.00 0.60 C ATOM 0 H VAL A 67 5.532 -3.193 3.899 1.00 0.35 H new ATOM 0 HA VAL A 67 6.341 -0.871 5.513 1.00 0.38 H new ATOM 0 HB VAL A 67 5.112 0.408 3.609 1.00 0.49 H new ATOM 0 HG11 VAL A 67 7.203 0.548 2.320 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.503 0.576 4.074 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.802 -0.912 3.144 1.00 0.67 H new ATOM 0 HG21 VAL A 67 5.262 -0.664 1.403 1.00 0.60 H new ATOM 0 HG22 VAL A 67 5.781 -2.179 2.178 1.00 0.60 H new ATOM 0 HG23 VAL A 67 4.152 -1.534 2.489 1.00 0.60 H new ATOM 1022 N ASN A 68 3.839 -0.090 5.756 1.00 0.42 N ATOM 1023 CA ASN A 68 2.465 0.134 6.138 1.00 0.49 C ATOM 1024 C ASN A 68 1.898 1.277 5.323 1.00 0.43 C ATOM 1025 O ASN A 68 2.313 2.424 5.484 1.00 0.50 O ATOM 1026 CB ASN A 68 2.351 0.456 7.633 1.00 0.74 C ATOM 1027 CG ASN A 68 2.772 -0.695 8.530 1.00 0.99 C ATOM 1028 OD1 ASN A 68 1.962 -1.555 8.878 1.00 1.81 O ATOM 1029 ND2 ASN A 68 4.038 -0.711 8.926 1.00 1.60 N ATOM 0 H ASN A 68 4.449 0.719 5.872 1.00 0.42 H new ATOM 0 HA ASN A 68 1.899 -0.777 5.945 1.00 0.49 H new ATOM 0 HB2 ASN A 68 2.967 1.327 7.858 1.00 0.74 H new ATOM 0 HB3 ASN A 68 1.320 0.727 7.861 1.00 0.74 H new ATOM 0 HD21 ASN A 68 4.371 -1.454 9.541 1.00 1.60 H new ATOM 0 HD22 ASN A 68 4.679 0.020 8.616 1.00 1.60 H new ATOM 1036 N ILE A 69 0.983 0.955 4.423 1.00 0.42 N ATOM 1037 CA ILE A 69 0.243 1.972 3.696 1.00 0.41 C ATOM 1038 C ILE A 69 -0.994 2.338 4.483 1.00 0.41 C ATOM 1039 O ILE A 69 -2.075 1.794 4.266 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.172 1.517 2.279 1.00 0.50 C ATOM 1041 CG1 ILE A 69 -0.332 0.001 2.228 1.00 0.48 C ATOM 1042 CG2 ILE A 69 0.840 1.973 1.247 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -0.935 -0.507 0.937 1.00 0.74 C ATOM 0 H ILE A 69 0.735 -0.004 4.179 1.00 0.42 H new ATOM 0 HA ILE A 69 0.903 2.831 3.577 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.132 1.977 2.045 1.00 0.50 H new ATOM 0 HG12 ILE A 69 0.644 -0.463 2.369 1.00 0.48 H new ATOM 0 HG13 ILE A 69 -0.959 -0.317 3.061 1.00 0.48 H new ATOM 0 HG21 ILE A 69 0.526 1.641 0.258 1.00 0.81 H new ATOM 0 HG22 ILE A 69 0.908 3.061 1.260 1.00 0.81 H new ATOM 0 HG23 ILE A 69 1.815 1.546 1.480 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -1.017 -1.593 0.976 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -1.926 -0.073 0.803 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.297 -0.221 0.100 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.822 3.249 5.413 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.882 3.598 6.322 1.00 0.45 C ATOM 1057 C ARG A 70 -2.260 5.049 6.110 1.00 0.39 C ATOM 1058 O ARG A 70 -1.385 5.893 5.916 1.00 0.41 O ATOM 1059 CB ARG A 70 -1.406 3.351 7.752 1.00 0.55 C ATOM 1060 CG ARG A 70 -2.487 3.420 8.822 1.00 1.33 C ATOM 1061 CD ARG A 70 -1.914 3.022 10.172 1.00 1.39 C ATOM 1062 NE ARG A 70 -2.922 2.951 11.229 1.00 2.23 N ATOM 1063 CZ ARG A 70 -2.829 2.129 12.273 1.00 2.69 C ATOM 1064 NH1 ARG A 70 -1.835 1.247 12.336 1.00 2.42 N ATOM 1065 NH2 ARG A 70 -3.737 2.165 13.240 1.00 3.79 N ATOM 0 H ARG A 70 0.047 3.762 5.558 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.765 2.985 6.140 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -0.937 2.368 7.796 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -0.635 4.083 7.991 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -2.893 4.430 8.875 1.00 1.33 H new ATOM 0 HG3 ARG A 70 -3.312 2.758 8.559 1.00 1.33 H new ATOM 0 HD2 ARG A 70 -1.425 2.052 10.080 1.00 1.39 H new ATOM 0 HD3 ARG A 70 -1.146 3.740 10.459 1.00 1.39 H new ATOM 0 HE ARG A 70 -3.737 3.561 11.164 1.00 2.23 H new ATOM 0 HH11 ARG A 70 -1.146 1.201 11.586 1.00 2.42 H new ATOM 0 HH12 ARG A 70 -1.762 0.617 13.135 1.00 2.42 H new ATOM 0 HH21 ARG A 70 -4.513 2.825 13.187 1.00 3.79 H new ATOM 0 HH22 ARG A 70 -3.659 1.532 14.036 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.566 5.341 6.078 1.00 0.40 N ATOM 1080 CA PRO A 71 -4.073 6.702 5.932 1.00 0.44 C ATOM 1081 C PRO A 71 -3.308 7.697 6.789 1.00 0.47 C ATOM 1082 O PRO A 71 -3.256 7.557 8.013 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.509 6.576 6.415 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.904 5.186 6.060 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.657 4.353 6.170 1.00 0.50 C ATOM 0 HA PRO A 71 -3.976 7.076 4.913 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.582 6.747 7.489 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -6.156 7.308 5.931 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -6.678 4.818 6.733 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.312 5.143 5.050 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.623 3.806 7.112 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.597 3.615 5.370 1.00 0.50 H new ATOM 1093 N MET A 72 -2.717 8.696 6.139 1.00 0.52 N ATOM 1094 CA MET A 72 -1.871 9.661 6.826 1.00 0.65 C ATOM 1095 C MET A 72 -2.705 10.531 7.757 1.00 0.81 C ATOM 1096 O MET A 72 -3.207 11.580 7.357 1.00 1.66 O ATOM 1097 CB MET A 72 -1.110 10.532 5.820 1.00 0.75 C ATOM 1098 CG MET A 72 -0.145 11.511 6.470 1.00 0.89 C ATOM 1099 SD MET A 72 0.758 12.498 5.261 1.00 1.54 S ATOM 1100 CE MET A 72 1.761 13.511 6.346 1.00 1.71 C ATOM 0 H MET A 72 -2.810 8.856 5.136 1.00 0.52 H new ATOM 0 HA MET A 72 -1.142 9.112 7.422 1.00 0.65 H new ATOM 0 HB2 MET A 72 -0.556 9.886 5.139 1.00 0.75 H new ATOM 0 HB3 MET A 72 -1.828 11.088 5.218 1.00 0.75 H new ATOM 0 HG2 MET A 72 -0.698 12.174 7.135 1.00 0.89 H new ATOM 0 HG3 MET A 72 0.565 10.960 7.087 1.00 0.89 H new ATOM 0 HE1 MET A 72 2.381 14.180 5.749 1.00 1.71 H new ATOM 0 HE2 MET A 72 1.113 14.099 6.996 1.00 1.71 H new ATOM 0 HE3 MET A 72 2.400 12.871 6.954 1.00 1.71 H new ATOM 1110 N ASP A 73 -2.878 10.043 8.983 1.00 0.85 N ATOM 1111 CA ASP A 73 -3.654 10.728 10.014 1.00 0.91 C ATOM 1112 C ASP A 73 -5.017 11.163 9.476 1.00 0.97 C ATOM 1113 O ASP A 73 -5.295 12.352 9.314 1.00 1.54 O ATOM 1114 CB ASP A 73 -2.876 11.924 10.572 1.00 1.06 C ATOM 1115 CG ASP A 73 -3.575 12.587 11.743 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -4.136 11.864 12.593 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -3.561 13.833 11.819 1.00 1.92 O ATOM 0 H ASP A 73 -2.481 9.155 9.291 1.00 0.85 H new ATOM 0 HA ASP A 73 -3.827 10.026 10.830 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -1.886 11.593 10.886 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -2.730 12.658 9.779 1.00 1.06 H new ATOM 1122 N ASN A 74 -5.857 10.184 9.166 1.00 0.80 N ATOM 1123 CA ASN A 74 -7.178 10.459 8.611 1.00 0.90 C ATOM 1124 C ASN A 74 -8.234 9.528 9.192 1.00 1.03 C ATOM 1125 O ASN A 74 -9.261 9.982 9.689 1.00 1.89 O ATOM 1126 CB ASN A 74 -7.165 10.338 7.084 1.00 0.90 C ATOM 1127 CG ASN A 74 -6.941 11.667 6.387 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -7.885 12.419 6.147 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -5.698 11.962 6.038 1.00 1.21 N ATOM 0 H ASN A 74 -5.648 9.193 9.289 1.00 0.80 H new ATOM 0 HA ASN A 74 -7.435 11.482 8.885 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -6.381 9.641 6.787 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -8.112 9.914 6.750 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -5.498 12.837 5.554 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -4.940 11.314 6.254 1.00 1.21 H new ATOM 1136 N SER A 75 -7.989 8.227 9.120 1.00 0.90 N ATOM 1137 CA SER A 75 -8.956 7.244 9.594 1.00 0.90 C ATOM 1138 C SER A 75 -8.247 5.996 10.102 1.00 0.84 C ATOM 1139 O SER A 75 -7.082 5.757 9.771 1.00 0.93 O ATOM 1140 CB SER A 75 -9.917 6.870 8.463 1.00 0.93 C ATOM 1141 OG SER A 75 -10.434 8.029 7.829 1.00 1.70 O ATOM 0 H SER A 75 -7.131 7.827 8.739 1.00 0.90 H new ATOM 0 HA SER A 75 -9.520 7.683 10.417 1.00 0.90 H new ATOM 0 HB2 SER A 75 -9.398 6.251 7.730 1.00 0.93 H new ATOM 0 HB3 SER A 75 -10.737 6.273 8.861 1.00 0.93 H new ATOM 0 HG SER A 75 -11.256 7.799 7.347 1.00 1.70 H new ATOM 1147 N ALA A 76 -8.949 5.202 10.893 1.00 0.82 N ATOM 1148 CA ALA A 76 -8.399 3.967 11.417 1.00 0.78 C ATOM 1149 C ALA A 76 -8.909 2.785 10.610 1.00 0.63 C ATOM 1150 O ALA A 76 -9.933 2.186 10.942 1.00 0.77 O ATOM 1151 CB ALA A 76 -8.746 3.803 12.889 1.00 0.94 C ATOM 0 H ALA A 76 -9.907 5.394 11.187 1.00 0.82 H new ATOM 0 HA ALA A 76 -7.313 4.006 11.331 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -8.323 2.870 13.261 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -8.335 4.639 13.455 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -9.829 3.783 13.007 1.00 0.94 H new ATOM 1157 N TRP A 77 -8.211 2.486 9.526 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.574 1.373 8.659 1.00 0.38 C ATOM 1159 C TRP A 77 -8.143 0.050 9.287 1.00 0.40 C ATOM 1160 O TRP A 77 -7.258 0.026 10.146 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.906 1.525 7.287 1.00 0.35 C ATOM 1162 CG TRP A 77 -8.465 2.625 6.424 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -9.031 3.807 6.824 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -8.486 2.638 4.994 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.413 4.544 5.722 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -9.085 3.846 4.589 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -8.056 1.740 4.017 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -9.263 4.171 3.246 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -8.235 2.062 2.689 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -8.832 3.270 2.313 1.00 0.42 C ATOM 0 H TRP A 77 -7.385 3.001 9.223 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.657 1.377 8.534 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.842 1.707 7.436 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.996 0.581 6.749 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -9.159 4.116 7.851 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.865 5.458 5.746 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -7.590 0.807 4.297 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.725 5.102 2.953 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -7.909 1.370 1.926 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -8.955 3.495 1.264 1.00 0.42 H new ATOM 1181 N THR A 78 -8.772 -1.037 8.866 1.00 0.38 N ATOM 1182 CA THR A 78 -8.378 -2.366 9.294 1.00 0.40 C ATOM 1183 C THR A 78 -7.029 -2.709 8.674 1.00 0.36 C ATOM 1184 O THR A 78 -6.893 -2.787 7.450 1.00 0.37 O ATOM 1185 CB THR A 78 -9.430 -3.415 8.885 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.734 -2.973 9.289 1.00 0.51 O ATOM 1187 CG2 THR A 78 -9.134 -4.760 9.525 1.00 0.49 C ATOM 0 H THR A 78 -9.564 -1.021 8.223 1.00 0.38 H new ATOM 0 HA THR A 78 -8.300 -2.377 10.381 1.00 0.40 H new ATOM 0 HB THR A 78 -9.395 -3.530 7.802 1.00 0.45 H new ATOM 0 HG1 THR A 78 -11.402 -3.641 9.026 1.00 0.51 H new ATOM 0 HG21 THR A 78 -9.891 -5.482 9.220 1.00 0.49 H new ATOM 0 HG22 THR A 78 -8.152 -5.107 9.205 1.00 0.49 H new ATOM 0 HG23 THR A 78 -9.147 -4.657 10.610 1.00 0.49 H new ATOM 1195 N THR A 79 -6.030 -2.891 9.517 1.00 0.41 N ATOM 1196 CA THR A 79 -4.668 -3.016 9.045 1.00 0.40 C ATOM 1197 C THR A 79 -4.229 -4.474 8.938 1.00 0.38 C ATOM 1198 O THR A 79 -3.851 -5.112 9.921 1.00 0.50 O ATOM 1199 CB THR A 79 -3.696 -2.201 9.937 1.00 0.51 C ATOM 1200 OG1 THR A 79 -2.333 -2.433 9.554 1.00 0.53 O ATOM 1201 CG2 THR A 79 -3.876 -2.527 11.418 1.00 0.59 C ATOM 0 H THR A 79 -6.138 -2.955 10.529 1.00 0.41 H new ATOM 0 HA THR A 79 -4.635 -2.600 8.038 1.00 0.40 H new ATOM 0 HB THR A 79 -3.936 -1.148 9.788 1.00 0.51 H new ATOM 0 HG1 THR A 79 -2.159 -2.006 8.689 1.00 0.53 H new ATOM 0 HG21 THR A 79 -3.177 -1.935 12.008 1.00 0.59 H new ATOM 0 HG22 THR A 79 -4.896 -2.292 11.721 1.00 0.59 H new ATOM 0 HG23 THR A 79 -3.684 -3.587 11.583 1.00 0.59 H new ATOM 1209 N ASP A 80 -4.322 -5.001 7.730 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.723 -6.283 7.401 1.00 0.32 C ATOM 1211 C ASP A 80 -2.394 -6.026 6.717 1.00 0.36 C ATOM 1212 O ASP A 80 -2.164 -4.929 6.206 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.642 -7.105 6.488 1.00 0.34 C ATOM 1214 CG ASP A 80 -5.700 -7.875 7.255 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -6.622 -7.234 7.800 1.00 1.65 O ATOM 1216 OD2 ASP A 80 -5.623 -9.119 7.304 1.00 1.70 O ATOM 0 H ASP A 80 -4.812 -4.556 6.954 1.00 0.33 H new ATOM 0 HA ASP A 80 -3.573 -6.858 8.315 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.129 -6.439 5.776 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.039 -7.804 5.909 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.513 -7.009 6.700 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.208 -6.816 6.085 1.00 0.57 C ATOM 1223 C ASN A 81 -0.320 -6.948 4.573 1.00 0.59 C ATOM 1224 O ASN A 81 0.637 -6.698 3.858 1.00 0.72 O ATOM 1225 CB ASN A 81 0.818 -7.824 6.614 1.00 0.68 C ATOM 1226 CG ASN A 81 2.253 -7.300 6.589 1.00 0.81 C ATOM 1227 OD1 ASN A 81 3.076 -7.687 7.417 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.567 -6.425 5.645 1.00 0.80 N ATOM 0 H ASN A 81 -1.670 -7.935 7.097 1.00 0.44 H new ATOM 0 HA ASN A 81 0.135 -5.814 6.343 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.556 -8.095 7.637 1.00 0.68 H new ATOM 0 HB3 ASN A 81 0.761 -8.735 6.018 1.00 0.68 H new ATOM 0 HD21 ASN A 81 3.515 -6.052 5.590 1.00 0.80 H new ATOM 0 HD22 ASN A 81 1.861 -6.124 4.973 1.00 0.80 H new ATOM 1235 N GLY A 82 -1.484 -7.349 4.090 1.00 0.55 N ATOM 1236 CA GLY A 82 -1.660 -7.516 2.662 1.00 0.65 C ATOM 1237 C GLY A 82 -2.725 -6.611 2.092 1.00 0.48 C ATOM 1238 O GLY A 82 -2.590 -6.105 0.979 1.00 0.57 O ATOM 0 H GLY A 82 -2.306 -7.561 4.656 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -0.714 -7.317 2.159 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -1.921 -8.553 2.452 1.00 0.65 H new ATOM 1242 N VAL A 83 -3.783 -6.399 2.850 1.00 0.40 N ATOM 1243 CA VAL A 83 -4.877 -5.565 2.400 1.00 0.44 C ATOM 1244 C VAL A 83 -5.117 -4.466 3.413 1.00 0.36 C ATOM 1245 O VAL A 83 -4.839 -4.641 4.599 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.176 -6.378 2.191 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -5.987 -7.420 1.098 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -6.622 -7.041 3.488 1.00 0.67 C ATOM 0 H VAL A 83 -3.907 -6.794 3.782 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.600 -5.136 1.437 1.00 0.44 H new ATOM 0 HB VAL A 83 -6.958 -5.686 1.878 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -6.912 -7.981 0.966 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -5.728 -6.924 0.163 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -5.186 -8.103 1.381 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -7.537 -7.606 3.312 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -5.841 -7.716 3.839 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -6.807 -6.276 4.243 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.622 -3.337 2.965 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.846 -2.234 3.865 1.00 0.29 C ATOM 1260 C PHE A 84 -7.207 -1.662 3.581 1.00 0.29 C ATOM 1261 O PHE A 84 -7.395 -0.971 2.586 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.765 -1.169 3.694 1.00 0.33 C ATOM 1263 CG PHE A 84 -4.198 -0.685 4.996 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.849 0.291 5.731 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -3.012 -1.211 5.486 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.330 0.733 6.932 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.487 -0.772 6.685 1.00 0.35 C ATOM 1268 CZ PHE A 84 -3.149 0.202 7.409 1.00 0.36 C ATOM 0 H PHE A 84 -5.882 -3.162 1.994 1.00 0.32 H new ATOM 0 HA PHE A 84 -5.799 -2.582 4.897 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -3.959 -1.574 3.083 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -5.182 -0.322 3.150 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.773 0.711 5.361 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.493 -1.973 4.923 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.848 1.494 7.497 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.562 -1.188 7.056 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.742 0.547 8.348 1.00 0.36 H new ATOM 1278 N TYR A 85 -8.164 -1.990 4.426 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.534 -1.599 4.179 1.00 0.34 C ATOM 1280 C TYR A 85 -10.179 -1.075 5.437 1.00 0.34 C ATOM 1281 O TYR A 85 -9.947 -1.583 6.526 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.341 -2.762 3.597 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.511 -3.948 4.518 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.442 -4.789 4.787 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -11.727 -4.209 5.139 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -9.578 -5.863 5.647 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -11.870 -5.275 6.007 1.00 0.51 C ATOM 1288 CZ TYR A 85 -10.858 -6.159 6.167 1.00 0.53 C ATOM 1289 OH TYR A 85 -10.930 -7.154 7.130 1.00 0.59 O ATOM 0 H TYR A 85 -8.018 -2.523 5.284 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.525 -0.795 3.443 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.328 -2.395 3.317 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -9.855 -3.099 2.682 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.488 -4.602 4.317 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.574 -3.569 4.940 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -8.722 -6.464 5.916 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -12.790 -5.403 6.558 1.00 0.51 H new ATOM 0 HH TYR A 85 -11.726 -7.016 7.684 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.975 -0.043 5.278 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.628 0.590 6.403 1.00 0.37 C ATOM 1301 C LYS A 86 -12.892 -0.164 6.795 1.00 0.39 C ATOM 1302 O LYS A 86 -13.632 -0.653 5.940 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.947 2.046 6.064 1.00 0.42 C ATOM 1304 CG LYS A 86 -12.832 2.212 4.840 1.00 0.57 C ATOM 1305 CD LYS A 86 -12.768 3.624 4.293 1.00 0.87 C ATOM 1306 CE LYS A 86 -13.807 3.846 3.210 1.00 0.61 C ATOM 1307 NZ LYS A 86 -15.177 3.923 3.771 1.00 1.39 N ATOM 0 H LYS A 86 -11.188 0.379 4.374 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.952 0.567 7.258 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.437 2.510 6.920 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -11.013 2.584 5.901 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -12.522 1.508 4.068 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.862 1.968 5.099 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -12.926 4.337 5.102 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -11.773 3.815 3.890 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -13.582 4.767 2.673 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -13.756 3.034 2.485 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -15.871 3.735 3.019 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -15.284 3.215 4.525 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -15.339 4.873 4.162 1.00 1.39 H new ATOM 1321 N ASN A 87 -13.120 -0.263 8.091 1.00 0.45 N ATOM 1322 CA ASN A 87 -14.334 -0.868 8.616 1.00 0.51 C ATOM 1323 C ASN A 87 -15.511 0.032 8.257 1.00 0.55 C ATOM 1324 O ASN A 87 -16.615 -0.435 7.969 1.00 0.83 O ATOM 1325 CB ASN A 87 -14.205 -1.037 10.135 1.00 0.61 C ATOM 1326 CG ASN A 87 -15.342 -1.824 10.774 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -16.497 -1.759 10.350 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -15.016 -2.588 11.805 1.00 2.12 N ATOM 0 H ASN A 87 -12.475 0.071 8.807 1.00 0.45 H new ATOM 0 HA ASN A 87 -14.496 -1.855 8.182 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -13.262 -1.538 10.355 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -14.157 -0.051 10.596 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -15.731 -3.145 12.273 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -14.050 -2.619 12.131 1.00 2.12 H new ATOM 1335 N ASP A 88 -15.234 1.332 8.255 1.00 0.51 N ATOM 1336 CA ASP A 88 -16.193 2.342 7.824 1.00 0.54 C ATOM 1337 C ASP A 88 -16.626 2.081 6.385 1.00 0.46 C ATOM 1338 O ASP A 88 -15.789 1.992 5.488 1.00 0.53 O ATOM 1339 CB ASP A 88 -15.569 3.746 7.897 1.00 0.62 C ATOM 1340 CG ASP A 88 -15.103 4.141 9.288 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -14.148 3.522 9.807 1.00 2.10 O ATOM 1342 OD2 ASP A 88 -15.679 5.088 9.863 1.00 1.62 O ATOM 0 H ASP A 88 -14.337 1.715 8.553 1.00 0.51 H new ATOM 0 HA ASP A 88 -17.056 2.288 8.488 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -14.721 3.792 7.214 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -16.299 4.476 7.548 1.00 0.62 H new ATOM 1347 N VAL A 89 -17.921 1.956 6.151 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.417 1.834 4.789 1.00 0.51 C ATOM 1349 C VAL A 89 -18.688 3.220 4.211 1.00 0.51 C ATOM 1350 O VAL A 89 -19.295 4.068 4.862 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.690 0.957 4.689 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -19.382 -0.479 5.080 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.816 1.514 5.546 1.00 0.93 C ATOM 0 H VAL A 89 -18.640 1.936 6.874 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.642 1.333 4.209 1.00 0.51 H new ATOM 0 HB VAL A 89 -20.023 0.972 3.651 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -20.289 -1.079 5.003 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -18.622 -0.883 4.412 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -19.015 -0.506 6.106 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.694 0.875 5.453 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -20.499 1.545 6.588 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -21.063 2.522 5.212 1.00 0.93 H new ATOM 1363 N GLY A 90 -18.193 3.462 3.007 1.00 0.46 N ATOM 1364 CA GLY A 90 -18.365 4.761 2.386 1.00 0.46 C ATOM 1365 C GLY A 90 -17.175 5.139 1.535 1.00 0.39 C ATOM 1366 O GLY A 90 -16.340 4.290 1.223 1.00 0.43 O ATOM 0 H GLY A 90 -17.675 2.784 2.448 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -19.264 4.753 1.770 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.514 5.516 3.158 1.00 0.46 H new ATOM 1370 N SER A 91 -17.081 6.404 1.169 1.00 0.44 N ATOM 1371 CA SER A 91 -15.947 6.900 0.415 1.00 0.50 C ATOM 1372 C SER A 91 -14.789 7.189 1.363 1.00 0.48 C ATOM 1373 O SER A 91 -14.851 6.855 2.549 1.00 0.77 O ATOM 1374 CB SER A 91 -16.348 8.163 -0.351 1.00 0.69 C ATOM 1375 OG SER A 91 -16.929 9.119 0.520 1.00 1.17 O ATOM 0 H SER A 91 -17.784 7.111 1.385 1.00 0.44 H new ATOM 0 HA SER A 91 -15.628 6.146 -0.305 1.00 0.50 H new ATOM 0 HB2 SER A 91 -15.472 8.592 -0.837 1.00 0.69 H new ATOM 0 HB3 SER A 91 -17.055 7.906 -1.139 1.00 0.69 H new ATOM 0 HG SER A 91 -17.176 9.919 0.010 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.730 7.786 0.849 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.617 8.185 1.684 1.00 0.45 C ATOM 1383 C TRP A 92 -11.880 9.351 1.044 1.00 0.44 C ATOM 1384 O TRP A 92 -11.816 10.433 1.619 1.00 0.49 O ATOM 1385 CB TRP A 92 -11.677 7.013 1.944 1.00 0.47 C ATOM 1386 CG TRP A 92 -10.748 7.335 3.052 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -11.040 7.377 4.384 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.388 7.706 2.922 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -9.933 7.764 5.091 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -8.903 7.970 4.212 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.535 7.842 1.835 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.596 8.367 4.437 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -7.243 8.233 2.059 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -6.778 8.497 3.351 1.00 0.51 C ATOM 0 H TRP A 92 -13.619 8.004 -0.141 1.00 0.50 H new ATOM 0 HA TRP A 92 -13.005 8.509 2.650 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.255 6.123 2.192 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -11.111 6.784 1.041 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -12.001 7.140 4.816 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -9.884 7.880 6.103 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -8.884 7.643 0.833 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -7.236 8.567 5.435 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.569 8.340 1.222 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -5.754 8.809 3.493 1.00 0.51 H new ATOM 1405 N GLY A 93 -11.371 9.112 -0.162 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.668 10.137 -0.941 1.00 0.49 C ATOM 1407 C GLY A 93 -9.753 11.046 -0.128 1.00 0.57 C ATOM 1408 O GLY A 93 -10.160 12.124 0.310 1.00 1.25 O ATOM 0 H GLY A 93 -11.432 8.207 -0.629 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -10.075 9.644 -1.711 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -11.407 10.754 -1.453 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.510 10.630 0.037 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.556 11.413 0.790 1.00 0.50 C ATOM 1414 C GLY A 94 -6.133 10.984 0.506 1.00 0.50 C ATOM 1415 O GLY A 94 -5.785 10.684 -0.636 1.00 0.72 O ATOM 0 H GLY A 94 -8.142 9.757 -0.340 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.675 12.468 0.542 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -7.761 11.311 1.856 1.00 0.50 H new ATOM 1419 N THR A 95 -5.312 10.936 1.538 1.00 0.46 N ATOM 1420 CA THR A 95 -3.924 10.545 1.379 1.00 0.45 C ATOM 1421 C THR A 95 -3.500 9.497 2.404 1.00 0.40 C ATOM 1422 O THR A 95 -3.646 9.685 3.614 1.00 0.45 O ATOM 1423 CB THR A 95 -2.995 11.765 1.484 1.00 0.53 C ATOM 1424 OG1 THR A 95 -3.491 12.665 2.484 1.00 0.60 O ATOM 1425 CG2 THR A 95 -2.888 12.484 0.148 1.00 0.60 C ATOM 0 H THR A 95 -5.582 11.163 2.495 1.00 0.46 H new ATOM 0 HA THR A 95 -3.837 10.105 0.386 1.00 0.45 H new ATOM 0 HB THR A 95 -2.001 11.418 1.766 1.00 0.53 H new ATOM 0 HG1 THR A 95 -2.896 13.441 2.550 1.00 0.60 H new ATOM 0 HG21 THR A 95 -2.225 13.343 0.249 1.00 0.60 H new ATOM 0 HG22 THR A 95 -2.486 11.802 -0.601 1.00 0.60 H new ATOM 0 HG23 THR A 95 -3.876 12.823 -0.163 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.990 8.385 1.902 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.386 7.362 2.740 1.00 0.39 C ATOM 1435 C ILE A 96 -0.877 7.525 2.682 1.00 0.40 C ATOM 1436 O ILE A 96 -0.374 8.162 1.767 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.753 5.944 2.264 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -2.344 5.774 0.803 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -4.246 5.691 2.437 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -2.413 4.348 0.307 1.00 1.63 C ATOM 0 H ILE A 96 -2.983 8.166 0.906 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.760 7.483 3.757 1.00 0.39 H new ATOM 0 HB ILE A 96 -2.216 5.214 2.870 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -2.988 6.396 0.181 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -1.326 6.143 0.676 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -4.486 4.684 2.095 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -4.512 5.790 3.489 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -4.808 6.417 1.850 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -2.107 4.311 -0.739 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -1.747 3.723 0.902 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -3.435 3.980 0.400 1.00 1.63 H new ATOM 1452 N GLY A 97 -0.156 6.962 3.632 1.00 0.39 N ATOM 1453 CA GLY A 97 1.280 7.133 3.633 1.00 0.45 C ATOM 1454 C GLY A 97 2.034 5.825 3.727 1.00 0.39 C ATOM 1455 O GLY A 97 1.557 4.877 4.341 1.00 0.37 O ATOM 0 H GLY A 97 -0.530 6.397 4.394 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.578 7.653 2.723 1.00 0.45 H new ATOM 0 HA3 GLY A 97 1.563 7.770 4.471 1.00 0.45 H new ATOM 1459 N ILE A 98 3.208 5.778 3.105 1.00 0.38 N ATOM 1460 CA ILE A 98 4.065 4.611 3.155 1.00 0.36 C ATOM 1461 C ILE A 98 5.200 4.815 4.142 1.00 0.38 C ATOM 1462 O ILE A 98 5.986 5.760 4.014 1.00 0.42 O ATOM 1463 CB ILE A 98 4.652 4.301 1.763 1.00 0.41 C ATOM 1464 CG1 ILE A 98 3.548 3.790 0.854 1.00 0.50 C ATOM 1465 CG2 ILE A 98 5.780 3.280 1.855 1.00 0.45 C ATOM 1466 CD1 ILE A 98 3.948 3.673 -0.601 1.00 0.83 C ATOM 0 H ILE A 98 3.586 6.549 2.555 1.00 0.38 H new ATOM 0 HA ILE A 98 3.454 3.770 3.482 1.00 0.36 H new ATOM 0 HB ILE A 98 5.071 5.218 1.348 1.00 0.41 H new ATOM 0 HG12 ILE A 98 3.223 2.812 1.210 1.00 0.50 H new ATOM 0 HG13 ILE A 98 2.690 4.458 0.931 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.174 3.082 0.858 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.576 3.673 2.488 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.398 2.354 2.285 1.00 0.45 H new ATOM 0 HD11 ILE A 98 3.104 3.302 -1.182 1.00 0.83 H new ATOM 0 HD12 ILE A 98 4.244 4.652 -0.977 1.00 0.83 H new ATOM 0 HD13 ILE A 98 4.785 2.981 -0.694 1.00 0.83 H new ATOM 1478 N TYR A 99 5.264 3.945 5.134 1.00 0.42 N ATOM 1479 CA TYR A 99 6.373 3.928 6.063 1.00 0.53 C ATOM 1480 C TYR A 99 6.790 2.501 6.362 1.00 0.44 C ATOM 1481 O TYR A 99 5.991 1.573 6.236 1.00 0.50 O ATOM 1482 CB TYR A 99 6.053 4.695 7.349 1.00 0.73 C ATOM 1483 CG TYR A 99 4.622 4.606 7.846 1.00 0.55 C ATOM 1484 CD1 TYR A 99 3.619 5.371 7.267 1.00 0.74 C ATOM 1485 CD2 TYR A 99 4.291 3.809 8.930 1.00 0.88 C ATOM 1486 CE1 TYR A 99 2.327 5.335 7.746 1.00 0.82 C ATOM 1487 CE2 TYR A 99 3.003 3.777 9.425 1.00 1.11 C ATOM 1488 CZ TYR A 99 2.025 4.542 8.830 1.00 0.92 C ATOM 1489 OH TYR A 99 0.749 4.530 9.336 1.00 1.28 O ATOM 0 H TYR A 99 4.553 3.236 5.315 1.00 0.42 H new ATOM 0 HA TYR A 99 7.211 4.440 5.591 1.00 0.53 H new ATOM 0 HB2 TYR A 99 6.712 4.332 8.137 1.00 0.73 H new ATOM 0 HB3 TYR A 99 6.295 5.746 7.190 1.00 0.73 H new ATOM 0 HD1 TYR A 99 3.855 6.006 6.426 1.00 0.74 H new ATOM 0 HD2 TYR A 99 5.054 3.203 9.396 1.00 0.88 H new ATOM 0 HE1 TYR A 99 1.556 5.926 7.274 1.00 0.82 H new ATOM 0 HE2 TYR A 99 2.763 3.155 10.275 1.00 1.11 H new ATOM 0 HH TYR A 99 0.785 4.538 10.315 1.00 1.28 H new ATOM 1499 N VAL A 100 8.042 2.337 6.754 1.00 0.44 N ATOM 1500 CA VAL A 100 8.637 1.019 6.888 1.00 0.40 C ATOM 1501 C VAL A 100 8.333 0.426 8.258 1.00 0.42 C ATOM 1502 O VAL A 100 8.415 1.111 9.278 1.00 0.56 O ATOM 1503 CB VAL A 100 10.162 1.066 6.650 1.00 0.50 C ATOM 1504 CG1 VAL A 100 10.865 1.877 7.730 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.739 -0.338 6.560 1.00 0.78 C ATOM 0 H VAL A 100 8.670 3.107 6.986 1.00 0.44 H new ATOM 0 HA VAL A 100 8.195 0.378 6.125 1.00 0.40 H new ATOM 0 HB VAL A 100 10.336 1.565 5.697 1.00 0.50 H new ATOM 0 HG11 VAL A 100 11.937 1.891 7.534 1.00 1.14 H new ATOM 0 HG12 VAL A 100 10.482 2.897 7.726 1.00 1.14 H new ATOM 0 HG13 VAL A 100 10.680 1.424 8.704 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.814 -0.279 6.392 1.00 0.78 H new ATOM 0 HG22 VAL A 100 10.546 -0.871 7.491 1.00 0.78 H new ATOM 0 HG23 VAL A 100 10.271 -0.871 5.732 1.00 0.78 H new ATOM 1515 N ASP A 101 7.974 -0.845 8.268 1.00 0.40 N ATOM 1516 CA ASP A 101 7.581 -1.527 9.493 1.00 0.50 C ATOM 1517 C ASP A 101 8.755 -1.651 10.463 1.00 0.59 C ATOM 1518 O ASP A 101 9.642 -2.486 10.281 1.00 0.77 O ATOM 1519 CB ASP A 101 7.016 -2.911 9.161 1.00 0.67 C ATOM 1520 CG ASP A 101 6.506 -3.643 10.385 1.00 0.83 C ATOM 1521 OD1 ASP A 101 5.349 -3.408 10.790 1.00 0.93 O ATOM 1522 OD2 ASP A 101 7.265 -4.457 10.956 1.00 1.02 O ATOM 0 H ASP A 101 7.946 -1.432 7.435 1.00 0.40 H new ATOM 0 HA ASP A 101 6.809 -0.931 9.981 1.00 0.50 H new ATOM 0 HB2 ASP A 101 6.204 -2.804 8.442 1.00 0.67 H new ATOM 0 HB3 ASP A 101 7.790 -3.510 8.681 1.00 0.67 H new ATOM 1527 N GLY A 102 8.767 -0.786 11.472 1.00 0.61 N ATOM 1528 CA GLY A 102 9.765 -0.863 12.523 1.00 0.81 C ATOM 1529 C GLY A 102 11.159 -0.468 12.075 1.00 0.85 C ATOM 1530 O GLY A 102 12.132 -1.027 12.569 1.00 1.53 O ATOM 0 H GLY A 102 8.096 -0.026 11.581 1.00 0.61 H new ATOM 0 HA2 GLY A 102 9.462 -0.217 13.347 1.00 0.81 H new ATOM 0 HA3 GLY A 102 9.793 -1.881 12.910 1.00 0.81 H new ATOM 1534 N GLN A 103 11.238 0.511 11.159 1.00 0.64 N ATOM 1535 CA GLN A 103 12.512 1.012 10.601 1.00 0.60 C ATOM 1536 C GLN A 103 13.541 -0.101 10.348 1.00 0.61 C ATOM 1537 O GLN A 103 14.302 -0.498 11.230 1.00 0.65 O ATOM 1538 CB GLN A 103 13.105 2.147 11.458 1.00 0.71 C ATOM 1539 CG GLN A 103 13.346 1.810 12.923 1.00 1.01 C ATOM 1540 CD GLN A 103 13.879 2.991 13.714 1.00 1.35 C ATOM 1541 OE1 GLN A 103 14.621 3.866 13.052 1.00 1.78 O flip ATOM 1542 NE2 GLN A 103 13.628 3.117 14.911 1.00 2.11 N flip ATOM 0 H GLN A 103 10.417 0.982 10.780 1.00 0.64 H new ATOM 0 HA GLN A 103 12.267 1.427 9.623 1.00 0.60 H new ATOM 0 HB2 GLN A 103 14.052 2.456 11.015 1.00 0.71 H new ATOM 0 HB3 GLN A 103 12.434 3.005 11.407 1.00 0.71 H new ATOM 0 HG2 GLN A 103 12.413 1.468 13.372 1.00 1.01 H new ATOM 0 HG3 GLN A 103 14.053 0.983 12.990 1.00 1.01 H new ATOM 0 HE21 GLN A 103 13.053 2.422 15.387 1.00 2.11 H new ATOM 0 HE22 GLN A 103 13.995 3.916 15.428 1.00 2.11 H new ATOM 1551 N GLN A 104 13.591 -0.561 9.103 1.00 0.73 N ATOM 1552 CA GLN A 104 14.387 -1.728 8.732 1.00 0.94 C ATOM 1553 C GLN A 104 15.864 -1.377 8.549 1.00 1.02 C ATOM 1554 O GLN A 104 16.613 -2.119 7.917 1.00 1.28 O ATOM 1555 CB GLN A 104 13.808 -2.355 7.460 1.00 1.12 C ATOM 1556 CG GLN A 104 12.478 -3.060 7.696 1.00 1.96 C ATOM 1557 CD GLN A 104 12.594 -4.256 8.625 1.00 1.98 C ATOM 1558 OE1 GLN A 104 13.720 -4.950 8.577 1.00 2.02 O flip ATOM 1559 NE2 GLN A 104 11.668 -4.566 9.370 1.00 2.62 N flip ATOM 0 H GLN A 104 13.084 -0.139 8.325 1.00 0.73 H new ATOM 0 HA GLN A 104 14.337 -2.452 9.546 1.00 0.94 H new ATOM 0 HB2 GLN A 104 13.673 -1.578 6.708 1.00 1.12 H new ATOM 0 HB3 GLN A 104 14.525 -3.069 7.055 1.00 1.12 H new ATOM 0 HG2 GLN A 104 11.766 -2.349 8.116 1.00 1.96 H new ATOM 0 HG3 GLN A 104 12.073 -3.389 6.739 1.00 1.96 H new ATOM 0 HE21 GLN A 104 10.814 -4.008 9.381 1.00 2.62 H new ATOM 0 HE22 GLN A 104 11.753 -5.381 9.977 1.00 2.62 H new ATOM 1568 N THR A 105 16.256 -0.220 9.087 1.00 1.14 N ATOM 1569 CA THR A 105 17.662 0.173 9.219 1.00 1.42 C ATOM 1570 C THR A 105 18.273 0.636 7.892 1.00 1.11 C ATOM 1571 O THR A 105 19.181 1.471 7.879 1.00 1.04 O ATOM 1572 CB THR A 105 18.506 -0.973 9.813 1.00 1.90 C ATOM 1573 OG1 THR A 105 17.832 -1.541 10.949 1.00 2.27 O ATOM 1574 CG2 THR A 105 19.869 -0.461 10.241 1.00 2.43 C ATOM 0 H THR A 105 15.603 0.476 9.446 1.00 1.14 H new ATOM 0 HA THR A 105 17.678 1.022 9.902 1.00 1.42 H new ATOM 0 HB THR A 105 18.637 -1.737 9.047 1.00 1.90 H new ATOM 0 HG1 THR A 105 18.373 -2.269 11.320 1.00 2.27 H new ATOM 0 HG21 THR A 105 20.452 -1.282 10.658 1.00 2.43 H new ATOM 0 HG22 THR A 105 20.390 -0.048 9.377 1.00 2.43 H new ATOM 0 HG23 THR A 105 19.745 0.316 10.996 1.00 2.43 H new ATOM 1582 N ASN A 106 17.758 0.094 6.793 1.00 1.04 N ATOM 1583 CA ASN A 106 18.212 0.426 5.448 1.00 0.88 C ATOM 1584 C ASN A 106 19.522 -0.280 5.122 1.00 0.81 C ATOM 1585 O ASN A 106 20.609 0.259 5.299 1.00 0.79 O ATOM 1586 CB ASN A 106 18.326 1.940 5.240 1.00 0.97 C ATOM 1587 CG ASN A 106 18.750 2.305 3.831 1.00 0.86 C ATOM 1588 OD1 ASN A 106 17.923 2.333 2.920 1.00 1.56 O ATOM 1589 ND2 ASN A 106 20.022 2.609 3.647 1.00 0.80 N ATOM 0 H ASN A 106 17.006 -0.595 6.812 1.00 1.04 H new ATOM 0 HA ASN A 106 17.455 0.065 4.752 1.00 0.88 H new ATOM 0 HB2 ASN A 106 17.365 2.406 5.459 1.00 0.97 H new ATOM 0 HB3 ASN A 106 19.047 2.347 5.949 1.00 0.97 H new ATOM 0 HD21 ASN A 106 20.353 2.880 2.721 1.00 0.80 H new ATOM 0 HD22 ASN A 106 20.674 2.573 4.431 1.00 0.80 H new ATOM 1596 N THR A 107 19.383 -1.508 4.666 1.00 0.86 N ATOM 1597 CA THR A 107 20.514 -2.316 4.227 1.00 0.89 C ATOM 1598 C THR A 107 20.700 -2.158 2.716 1.00 0.80 C ATOM 1599 O THR A 107 19.704 -2.150 1.993 1.00 0.86 O ATOM 1600 CB THR A 107 20.257 -3.797 4.586 1.00 1.13 C ATOM 1601 OG1 THR A 107 19.905 -3.890 5.973 1.00 1.68 O ATOM 1602 CG2 THR A 107 21.473 -4.673 4.316 1.00 1.53 C ATOM 0 H THR A 107 18.482 -1.980 4.587 1.00 0.86 H new ATOM 0 HA THR A 107 21.422 -1.983 4.729 1.00 0.89 H new ATOM 0 HB THR A 107 19.444 -4.157 3.956 1.00 1.13 H new ATOM 0 HG1 THR A 107 19.739 -4.827 6.206 1.00 1.68 H new ATOM 0 HG21 THR A 107 21.245 -5.705 4.583 1.00 1.53 H new ATOM 0 HG22 THR A 107 21.731 -4.621 3.258 1.00 1.53 H new ATOM 0 HG23 THR A 107 22.315 -4.321 4.913 1.00 1.53 H new ATOM 1610 N PRO A 108 21.970 -2.016 2.244 1.00 0.82 N ATOM 1611 CA PRO A 108 22.353 -1.734 0.852 1.00 0.84 C ATOM 1612 C PRO A 108 21.286 -2.048 -0.201 1.00 0.76 C ATOM 1613 O PRO A 108 21.166 -3.179 -0.679 1.00 0.91 O ATOM 1614 CB PRO A 108 23.575 -2.632 0.690 1.00 1.07 C ATOM 1615 CG PRO A 108 24.209 -2.672 2.053 1.00 1.26 C ATOM 1616 CD PRO A 108 23.191 -2.145 3.047 1.00 0.99 C ATOM 0 HA PRO A 108 22.521 -0.670 0.687 1.00 0.84 H new ATOM 0 HB2 PRO A 108 23.290 -3.630 0.357 1.00 1.07 H new ATOM 0 HB3 PRO A 108 24.263 -2.232 -0.054 1.00 1.07 H new ATOM 0 HG2 PRO A 108 24.503 -3.690 2.309 1.00 1.26 H new ATOM 0 HG3 PRO A 108 25.114 -2.064 2.073 1.00 1.26 H new ATOM 0 HD2 PRO A 108 23.052 -2.831 3.883 1.00 0.99 H new ATOM 0 HD3 PRO A 108 23.498 -1.188 3.468 1.00 0.99 H new ATOM 1624 N PRO A 109 20.473 -1.033 -0.534 1.00 0.61 N ATOM 1625 CA PRO A 109 19.389 -1.132 -1.500 1.00 0.56 C ATOM 1626 C PRO A 109 19.751 -0.649 -2.903 1.00 0.57 C ATOM 1627 O PRO A 109 20.915 -0.651 -3.313 1.00 0.76 O ATOM 1628 CB PRO A 109 18.336 -0.191 -0.899 1.00 0.59 C ATOM 1629 CG PRO A 109 19.034 0.606 0.166 1.00 0.64 C ATOM 1630 CD PRO A 109 20.494 0.295 0.063 1.00 0.63 C ATOM 0 HA PRO A 109 19.082 -2.168 -1.642 1.00 0.56 H new ATOM 0 HB2 PRO A 109 17.920 0.465 -1.664 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.505 -0.757 -0.478 1.00 0.59 H new ATOM 0 HG2 PRO A 109 18.857 1.672 0.027 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.653 0.345 1.154 1.00 0.64 H new ATOM 0 HD2 PRO A 109 21.023 1.016 -0.561 1.00 0.63 H new ATOM 0 HD3 PRO A 109 20.983 0.298 1.037 1.00 0.63 H new ATOM 1638 N GLY A 110 18.712 -0.259 -3.626 1.00 0.49 N ATOM 1639 CA GLY A 110 18.843 0.281 -4.960 1.00 0.58 C ATOM 1640 C GLY A 110 17.500 0.786 -5.437 1.00 0.54 C ATOM 1641 O GLY A 110 17.026 1.827 -4.981 1.00 0.76 O ATOM 0 H GLY A 110 17.748 -0.311 -3.296 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.571 1.093 -4.965 1.00 0.58 H new ATOM 0 HA3 GLY A 110 19.216 -0.486 -5.639 1.00 0.58 H new ATOM 1645 N ASN A 111 16.872 0.044 -6.331 1.00 0.45 N ATOM 1646 CA ASN A 111 15.494 0.323 -6.709 1.00 0.44 C ATOM 1647 C ASN A 111 14.566 -0.670 -6.023 1.00 0.42 C ATOM 1648 O ASN A 111 14.812 -1.879 -6.039 1.00 0.58 O ATOM 1649 CB ASN A 111 15.298 0.252 -8.229 1.00 0.56 C ATOM 1650 CG ASN A 111 16.150 1.246 -8.995 1.00 1.10 C ATOM 1651 OD1 ASN A 111 17.253 0.921 -9.438 1.00 2.04 O ATOM 1652 ND2 ASN A 111 15.651 2.462 -9.158 1.00 1.41 N ATOM 0 H ASN A 111 17.290 -0.754 -6.809 1.00 0.45 H new ATOM 0 HA ASN A 111 15.256 1.337 -6.389 1.00 0.44 H new ATOM 0 HB2 ASN A 111 15.533 -0.756 -8.571 1.00 0.56 H new ATOM 0 HB3 ASN A 111 14.248 0.431 -8.461 1.00 0.56 H new ATOM 0 HD21 ASN A 111 16.184 3.168 -9.666 1.00 1.41 H new ATOM 0 HD22 ASN A 111 14.734 2.692 -8.776 1.00 1.41 H new ATOM 1659 N TYR A 112 13.528 -0.156 -5.386 1.00 0.35 N ATOM 1660 CA TYR A 112 12.550 -0.986 -4.704 1.00 0.37 C ATOM 1661 C TYR A 112 11.170 -0.799 -5.316 1.00 0.42 C ATOM 1662 O TYR A 112 10.637 0.308 -5.351 1.00 0.55 O ATOM 1663 CB TYR A 112 12.538 -0.663 -3.205 1.00 0.40 C ATOM 1664 CG TYR A 112 13.449 -1.554 -2.407 1.00 0.40 C ATOM 1665 CD1 TYR A 112 13.044 -2.811 -1.993 1.00 0.68 C ATOM 1666 CD2 TYR A 112 14.716 -1.122 -2.047 1.00 0.64 C ATOM 1667 CE1 TYR A 112 13.878 -3.609 -1.247 1.00 0.75 C ATOM 1668 CE2 TYR A 112 15.558 -1.918 -1.305 1.00 0.67 C ATOM 1669 CZ TYR A 112 15.119 -3.229 -0.969 1.00 0.59 C ATOM 1670 OH TYR A 112 15.962 -3.959 -0.166 1.00 0.69 O ATOM 0 H TYR A 112 13.340 0.845 -5.327 1.00 0.35 H new ATOM 0 HA TYR A 112 12.830 -2.032 -4.826 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.835 0.376 -3.060 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.521 -0.759 -2.826 1.00 0.40 H new ATOM 0 HD1 TYR A 112 12.061 -3.169 -2.259 1.00 0.68 H new ATOM 0 HD2 TYR A 112 15.049 -0.142 -2.355 1.00 0.64 H new ATOM 0 HE1 TYR A 112 13.518 -4.559 -0.882 1.00 0.75 H new ATOM 0 HE2 TYR A 112 16.525 -1.558 -0.987 1.00 0.67 H new ATOM 0 HH TYR A 112 16.823 -4.079 -0.619 1.00 0.69 H new ATOM 1680 N THR A 113 10.609 -1.886 -5.807 1.00 0.38 N ATOM 1681 CA THR A 113 9.322 -1.857 -6.467 1.00 0.46 C ATOM 1682 C THR A 113 8.212 -2.258 -5.504 1.00 0.51 C ATOM 1683 O THR A 113 8.359 -3.201 -4.725 1.00 0.83 O ATOM 1684 CB THR A 113 9.321 -2.803 -7.683 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.366 -2.424 -8.584 1.00 0.66 O ATOM 1686 CG2 THR A 113 7.986 -2.775 -8.414 1.00 0.74 C ATOM 0 H THR A 113 11.033 -2.812 -5.759 1.00 0.38 H new ATOM 0 HA THR A 113 9.140 -0.837 -6.807 1.00 0.46 H new ATOM 0 HB THR A 113 9.486 -3.818 -7.320 1.00 0.62 H new ATOM 0 HG1 THR A 113 10.833 -3.226 -8.899 1.00 0.66 H new ATOM 0 HG21 THR A 113 8.023 -3.454 -9.266 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.193 -3.087 -7.735 1.00 0.74 H new ATOM 0 HG23 THR A 113 7.785 -1.763 -8.766 1.00 0.74 H new ATOM 1694 N LEU A 114 7.126 -1.507 -5.534 1.00 0.34 N ATOM 1695 CA LEU A 114 5.947 -1.828 -4.751 1.00 0.38 C ATOM 1696 C LEU A 114 4.707 -1.245 -5.422 1.00 0.40 C ATOM 1697 O LEU A 114 4.368 -0.073 -5.241 1.00 0.47 O ATOM 1698 CB LEU A 114 6.084 -1.311 -3.310 1.00 0.43 C ATOM 1699 CG LEU A 114 6.510 0.151 -3.187 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.836 0.806 -1.993 1.00 0.51 C ATOM 1701 CD2 LEU A 114 8.022 0.269 -3.065 1.00 0.41 C ATOM 0 H LEU A 114 7.037 -0.662 -6.098 1.00 0.34 H new ATOM 0 HA LEU A 114 5.845 -2.912 -4.703 1.00 0.38 H new ATOM 0 HB2 LEU A 114 5.129 -1.440 -2.801 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.811 -1.931 -2.785 1.00 0.43 H new ATOM 0 HG LEU A 114 6.197 0.669 -4.094 1.00 0.41 H new ATOM 0 HD11 LEU A 114 6.152 1.847 -1.922 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.754 0.763 -2.117 1.00 0.51 H new ATOM 0 HD13 LEU A 114 6.118 0.279 -1.082 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.299 1.320 -2.979 1.00 0.41 H new ATOM 0 HD22 LEU A 114 8.359 -0.269 -2.179 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.493 -0.159 -3.950 1.00 0.41 H new ATOM 1713 N THR A 115 4.056 -2.060 -6.230 1.00 0.42 N ATOM 1714 CA THR A 115 2.873 -1.628 -6.947 1.00 0.45 C ATOM 1715 C THR A 115 1.642 -1.775 -6.057 1.00 0.44 C ATOM 1716 O THR A 115 1.527 -2.735 -5.296 1.00 0.47 O ATOM 1717 CB THR A 115 2.691 -2.444 -8.243 1.00 0.49 C ATOM 1718 OG1 THR A 115 3.930 -2.495 -8.963 1.00 0.56 O ATOM 1719 CG2 THR A 115 1.613 -1.838 -9.132 1.00 0.59 C ATOM 0 H THR A 115 4.328 -3.027 -6.406 1.00 0.42 H new ATOM 0 HA THR A 115 2.996 -0.579 -7.217 1.00 0.45 H new ATOM 0 HB THR A 115 2.381 -3.451 -7.966 1.00 0.49 H new ATOM 0 HG1 THR A 115 3.810 -3.016 -9.784 1.00 0.56 H new ATOM 0 HG21 THR A 115 1.509 -2.436 -10.037 1.00 0.59 H new ATOM 0 HG22 THR A 115 0.664 -1.824 -8.595 1.00 0.59 H new ATOM 0 HG23 THR A 115 1.893 -0.819 -9.401 1.00 0.59 H new ATOM 1727 N LEU A 116 0.742 -0.811 -6.135 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.466 -0.821 -5.326 1.00 0.47 C ATOM 1729 C LEU A 116 -1.702 -0.871 -6.214 1.00 0.48 C ATOM 1730 O LEU A 116 -1.919 0.016 -7.042 1.00 0.63 O ATOM 1731 CB LEU A 116 -0.513 0.424 -4.443 1.00 0.54 C ATOM 1732 CG LEU A 116 0.612 0.541 -3.412 1.00 0.61 C ATOM 1733 CD1 LEU A 116 0.493 1.846 -2.642 1.00 1.27 C ATOM 1734 CD2 LEU A 116 0.585 -0.642 -2.458 1.00 1.05 C ATOM 0 H LEU A 116 0.825 -0.005 -6.755 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.453 -1.709 -4.694 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.488 1.305 -5.085 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -1.468 0.440 -3.917 1.00 0.54 H new ATOM 0 HG LEU A 116 1.565 0.537 -3.940 1.00 0.61 H new ATOM 0 HD11 LEU A 116 1.301 1.913 -1.913 1.00 1.27 H new ATOM 0 HD12 LEU A 116 0.559 2.685 -3.335 1.00 1.27 H new ATOM 0 HD13 LEU A 116 -0.466 1.877 -2.125 1.00 1.27 H new ATOM 0 HD21 LEU A 116 1.392 -0.542 -1.732 1.00 1.05 H new ATOM 0 HD22 LEU A 116 -0.372 -0.667 -1.936 1.00 1.05 H new ATOM 0 HD23 LEU A 116 0.716 -1.566 -3.021 1.00 1.05 H new ATOM 1746 N THR A 117 -2.497 -1.912 -6.052 1.00 0.44 N ATOM 1747 CA THR A 117 -3.720 -2.071 -6.816 1.00 0.48 C ATOM 1748 C THR A 117 -4.920 -1.608 -5.994 1.00 0.58 C ATOM 1749 O THR A 117 -5.174 -2.116 -4.895 1.00 0.70 O ATOM 1750 CB THR A 117 -3.911 -3.539 -7.249 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.747 -3.989 -7.957 1.00 0.56 O ATOM 1752 CG2 THR A 117 -5.138 -3.691 -8.138 1.00 0.57 C ATOM 0 H THR A 117 -2.315 -2.667 -5.391 1.00 0.44 H new ATOM 0 HA THR A 117 -3.643 -1.455 -7.712 1.00 0.48 H new ATOM 0 HB THR A 117 -4.056 -4.144 -6.354 1.00 0.53 H new ATOM 0 HG1 THR A 117 -2.361 -3.242 -8.461 1.00 0.56 H new ATOM 0 HG21 THR A 117 -5.249 -4.736 -8.429 1.00 0.57 H new ATOM 0 HG22 THR A 117 -6.025 -3.370 -7.592 1.00 0.57 H new ATOM 0 HG23 THR A 117 -5.019 -3.077 -9.030 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.647 -0.632 -6.520 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.786 -0.092 -5.812 1.00 0.79 C ATOM 1762 C GLY A 118 -8.023 -0.959 -5.947 1.00 0.64 C ATOM 1763 O GLY A 118 -7.934 -2.155 -6.239 1.00 0.80 O ATOM 0 H GLY A 118 -5.466 -0.204 -7.428 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.535 0.015 -4.757 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -7.004 0.907 -6.191 1.00 0.79 H new ATOM 1767 N GLY A 119 -9.174 -0.364 -5.710 1.00 0.52 N ATOM 1768 CA GLY A 119 -10.420 -1.080 -5.826 1.00 0.50 C ATOM 1769 C GLY A 119 -11.051 -1.313 -4.478 1.00 0.44 C ATOM 1770 O GLY A 119 -10.389 -1.166 -3.447 1.00 0.53 O ATOM 0 H GLY A 119 -9.269 0.614 -5.436 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -11.107 -0.517 -6.458 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -10.246 -2.037 -6.318 1.00 0.50 H new ATOM 1774 N TYR A 120 -12.314 -1.696 -4.466 1.00 0.42 N ATOM 1775 CA TYR A 120 -13.003 -1.885 -3.210 1.00 0.41 C ATOM 1776 C TYR A 120 -12.838 -3.305 -2.708 1.00 0.43 C ATOM 1777 O TYR A 120 -12.212 -4.149 -3.361 1.00 0.60 O ATOM 1778 CB TYR A 120 -14.487 -1.502 -3.301 1.00 0.48 C ATOM 1779 CG TYR A 120 -15.321 -2.280 -4.303 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -15.915 -3.483 -3.941 1.00 0.61 C ATOM 1781 CD2 TYR A 120 -15.485 -1.837 -5.617 1.00 0.63 C ATOM 1782 CE1 TYR A 120 -16.651 -4.221 -4.845 1.00 0.71 C ATOM 1783 CE2 TYR A 120 -16.225 -2.572 -6.528 1.00 0.73 C ATOM 1784 CZ TYR A 120 -16.896 -3.652 -6.146 1.00 0.78 C ATOM 1785 OH TYR A 120 -17.546 -4.501 -7.034 1.00 0.89 O ATOM 0 H TYR A 120 -12.874 -1.879 -5.299 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.542 -1.211 -2.488 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.934 -1.626 -2.314 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -14.553 -0.443 -3.550 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -15.798 -3.848 -2.931 1.00 0.61 H new ATOM 0 HD2 TYR A 120 -15.029 -0.909 -5.927 1.00 0.63 H new ATOM 0 HE1 TYR A 120 -17.033 -5.197 -4.585 1.00 0.71 H new ATOM 0 HE2 TYR A 120 -16.257 -2.263 -7.562 1.00 0.73 H new ATOM 0 HH TYR A 120 -17.675 -4.042 -7.890 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.389 -3.544 -1.540 1.00 0.39 N ATOM 1796 CA TRP A 121 -13.241 -4.802 -0.844 1.00 0.40 C ATOM 1797 C TRP A 121 -14.618 -5.330 -0.421 1.00 0.48 C ATOM 1798 O TRP A 121 -15.552 -4.552 -0.210 1.00 0.53 O ATOM 1799 CB TRP A 121 -12.319 -4.570 0.363 1.00 0.43 C ATOM 1800 CG TRP A 121 -12.369 -5.633 1.402 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -13.366 -5.819 2.297 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.392 -6.640 1.673 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -13.090 -6.884 3.100 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -11.884 -7.403 2.742 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.154 -6.980 1.119 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.193 -8.478 3.266 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.472 -8.058 1.650 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -9.993 -8.790 2.712 1.00 0.51 C ATOM 0 H TRP A 121 -13.960 -2.862 -1.040 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.795 -5.558 -1.491 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -11.293 -4.479 0.006 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -12.581 -3.618 0.825 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -14.255 -5.209 2.365 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -13.689 -7.235 3.847 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -9.741 -6.414 0.297 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -11.594 -9.051 4.089 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -8.516 -8.338 1.232 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -9.431 -9.625 3.104 1.00 0.51 H new ATOM 1819 N ALA A 122 -14.730 -6.647 -0.313 1.00 0.57 N ATOM 1820 CA ALA A 122 -15.951 -7.297 0.122 1.00 0.73 C ATOM 1821 C ALA A 122 -15.641 -8.329 1.213 1.00 0.90 C ATOM 1822 O ALA A 122 -14.556 -8.922 1.222 1.00 1.42 O ATOM 1823 CB ALA A 122 -16.645 -7.959 -1.058 1.00 0.94 C ATOM 0 H ALA A 122 -13.971 -7.294 -0.526 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.621 -6.544 0.538 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -17.560 -8.443 -0.717 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -16.890 -7.205 -1.806 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -15.983 -8.704 -1.498 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.600 -8.543 2.114 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.439 -9.447 3.262 1.00 0.97 C ATOM 1831 C LYS A 123 -15.354 -8.938 4.215 1.00 0.83 C ATOM 1832 O LYS A 123 -15.202 -7.732 4.398 1.00 0.86 O ATOM 1833 CB LYS A 123 -16.112 -10.869 2.794 1.00 1.10 C ATOM 1834 CG LYS A 123 -17.156 -11.897 3.206 1.00 1.83 C ATOM 1835 CD LYS A 123 -17.290 -11.981 4.720 1.00 1.97 C ATOM 1836 CE LYS A 123 -18.441 -12.884 5.135 1.00 2.89 C ATOM 1837 NZ LYS A 123 -18.602 -12.948 6.612 1.00 3.47 N ATOM 0 H LYS A 123 -17.515 -8.094 2.071 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.385 -9.470 3.802 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -16.018 -10.873 1.708 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -15.144 -11.163 3.199 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -18.119 -11.634 2.769 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -16.882 -12.875 2.809 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -16.360 -12.357 5.147 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -17.446 -10.982 5.127 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -19.365 -12.521 4.686 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -18.271 -13.888 4.746 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -19.398 -13.575 6.848 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -17.730 -13.319 7.040 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -18.791 -11.995 6.982 1.00 3.47 H new ATOM 1851 N ASP A 124 -14.628 -9.853 4.852 1.00 0.82 N ATOM 1852 CA ASP A 124 -13.518 -9.476 5.719 1.00 0.81 C ATOM 1853 C ASP A 124 -12.456 -10.569 5.751 1.00 0.71 C ATOM 1854 O ASP A 124 -12.780 -11.751 5.808 1.00 0.74 O ATOM 1855 CB ASP A 124 -13.993 -9.163 7.144 1.00 1.07 C ATOM 1856 CG ASP A 124 -14.546 -10.371 7.876 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -13.754 -11.087 8.522 1.00 2.08 O ATOM 1858 OD2 ASP A 124 -15.772 -10.616 7.791 1.00 2.02 O ATOM 0 H ASP A 124 -14.789 -10.858 4.784 1.00 0.82 H new ATOM 0 HA ASP A 124 -13.079 -8.570 5.302 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -13.160 -8.752 7.714 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -14.761 -8.391 7.101 1.00 1.07 H new ATOM 1863 N ASN A 125 -11.198 -10.127 5.659 1.00 0.70 N ATOM 1864 CA ASN A 125 -9.970 -10.953 5.735 1.00 0.73 C ATOM 1865 C ASN A 125 -9.919 -12.174 4.790 1.00 0.73 C ATOM 1866 O ASN A 125 -8.873 -12.808 4.665 1.00 0.91 O ATOM 1867 CB ASN A 125 -9.684 -11.370 7.180 1.00 0.87 C ATOM 1868 CG ASN A 125 -10.202 -12.752 7.547 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -9.487 -13.748 7.419 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -11.440 -12.826 8.009 1.00 2.40 N ATOM 0 H ASN A 125 -10.989 -9.138 5.523 1.00 0.70 H new ATOM 0 HA ASN A 125 -9.180 -10.297 5.370 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -8.607 -11.342 7.347 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -10.130 -10.637 7.852 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -11.833 -13.730 8.273 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -12.001 -11.979 8.101 1.00 2.40 H new ATOM 1877 N LYS A 126 -11.012 -12.489 4.110 1.00 0.66 N ATOM 1878 CA LYS A 126 -11.021 -13.585 3.141 1.00 0.76 C ATOM 1879 C LYS A 126 -10.420 -13.118 1.820 1.00 0.76 C ATOM 1880 O LYS A 126 -10.303 -13.883 0.864 1.00 1.09 O ATOM 1881 CB LYS A 126 -12.443 -14.128 2.938 1.00 0.84 C ATOM 1882 CG LYS A 126 -13.407 -13.177 2.239 1.00 0.82 C ATOM 1883 CD LYS A 126 -13.550 -13.510 0.759 1.00 0.88 C ATOM 1884 CE LYS A 126 -14.616 -12.655 0.098 1.00 1.39 C ATOM 1885 NZ LYS A 126 -14.743 -12.936 -1.359 1.00 1.96 N ATOM 0 H LYS A 126 -11.904 -12.005 4.208 1.00 0.66 H new ATOM 0 HA LYS A 126 -10.411 -14.400 3.531 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -12.384 -15.050 2.359 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -12.857 -14.389 3.912 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -14.384 -13.230 2.720 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -13.052 -12.152 2.349 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -12.595 -13.356 0.256 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -13.804 -14.564 0.645 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -15.575 -12.833 0.585 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -14.375 -11.602 0.243 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -15.482 -12.329 -1.767 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -13.837 -12.742 -1.830 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -14.999 -13.934 -1.499 1.00 1.96 H new ATOM 1899 N GLN A 127 -10.071 -11.839 1.798 1.00 0.63 N ATOM 1900 CA GLN A 127 -9.501 -11.175 0.635 1.00 0.64 C ATOM 1901 C GLN A 127 -10.532 -11.050 -0.476 1.00 0.63 C ATOM 1902 O GLN A 127 -10.316 -11.488 -1.605 1.00 0.91 O ATOM 1903 CB GLN A 127 -8.238 -11.876 0.132 1.00 0.79 C ATOM 1904 CG GLN A 127 -7.417 -11.006 -0.806 1.00 1.28 C ATOM 1905 CD GLN A 127 -6.129 -11.666 -1.263 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -5.578 -12.540 -0.437 1.00 2.02 O flip ATOM 1907 NE2 GLN A 127 -5.639 -11.400 -2.359 1.00 1.62 N flip ATOM 0 H GLN A 127 -10.178 -11.223 2.604 1.00 0.63 H new ATOM 0 HA GLN A 127 -9.207 -10.173 0.948 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -7.623 -12.164 0.985 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -8.518 -12.795 -0.383 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -8.019 -10.757 -1.680 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -7.179 -10.068 -0.305 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -6.093 -10.720 -2.969 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -4.779 -11.859 -2.658 1.00 1.62 H new ATOM 1916 N GLY A 128 -11.667 -10.461 -0.140 1.00 0.50 N ATOM 1917 CA GLY A 128 -12.621 -10.101 -1.151 1.00 0.50 C ATOM 1918 C GLY A 128 -12.335 -8.716 -1.650 1.00 0.45 C ATOM 1919 O GLY A 128 -12.479 -7.756 -0.914 1.00 0.77 O ATOM 0 H GLY A 128 -11.940 -10.228 0.815 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -12.575 -10.811 -1.976 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -13.631 -10.149 -0.744 1.00 0.50 H new ATOM 1923 N PHE A 129 -11.884 -8.602 -2.871 1.00 0.61 N ATOM 1924 CA PHE A 129 -11.553 -7.304 -3.416 1.00 0.63 C ATOM 1925 C PHE A 129 -11.756 -7.325 -4.922 1.00 0.58 C ATOM 1926 O PHE A 129 -11.991 -8.385 -5.504 1.00 0.63 O ATOM 1927 CB PHE A 129 -10.096 -6.941 -3.089 1.00 0.72 C ATOM 1928 CG PHE A 129 -9.077 -7.768 -3.830 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.790 -9.063 -3.433 1.00 1.02 C ATOM 1930 CD2 PHE A 129 -8.409 -7.245 -4.927 1.00 0.75 C ATOM 1931 CE1 PHE A 129 -7.859 -9.821 -4.116 1.00 1.21 C ATOM 1932 CE2 PHE A 129 -7.475 -7.998 -5.612 1.00 0.89 C ATOM 1933 CZ PHE A 129 -7.200 -9.289 -5.207 1.00 1.14 C ATOM 0 H PHE A 129 -11.737 -9.385 -3.508 1.00 0.61 H new ATOM 0 HA PHE A 129 -12.205 -6.553 -2.970 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -9.934 -5.889 -3.322 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -9.935 -7.059 -2.017 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -9.300 -9.485 -2.580 1.00 1.02 H new ATOM 0 HD2 PHE A 129 -8.622 -6.237 -5.250 1.00 0.75 H new ATOM 0 HE1 PHE A 129 -7.646 -10.831 -3.797 1.00 1.21 H new ATOM 0 HE2 PHE A 129 -6.961 -7.577 -6.463 1.00 0.89 H new ATOM 0 HZ PHE A 129 -6.472 -9.881 -5.742 1.00 1.14 H new ATOM 1943 N THR A 130 -11.668 -6.167 -5.548 1.00 0.61 N ATOM 1944 CA THR A 130 -11.696 -6.090 -6.998 1.00 0.63 C ATOM 1945 C THR A 130 -10.886 -4.890 -7.472 1.00 0.60 C ATOM 1946 O THR A 130 -10.806 -3.879 -6.772 1.00 0.67 O ATOM 1947 CB THR A 130 -13.145 -5.994 -7.525 1.00 0.73 C ATOM 1948 OG1 THR A 130 -13.159 -5.854 -8.952 1.00 1.47 O ATOM 1949 CG2 THR A 130 -13.867 -4.820 -6.897 1.00 0.90 C ATOM 0 H THR A 130 -11.577 -5.267 -5.077 1.00 0.61 H new ATOM 0 HA THR A 130 -11.252 -7.003 -7.395 1.00 0.63 H new ATOM 0 HB THR A 130 -13.659 -6.916 -7.253 1.00 0.73 H new ATOM 0 HG1 THR A 130 -14.086 -5.797 -9.266 1.00 1.47 H new ATOM 0 HG21 THR A 130 -14.886 -4.771 -7.282 1.00 0.90 H new ATOM 0 HG22 THR A 130 -13.894 -4.946 -5.815 1.00 0.90 H new ATOM 0 HG23 THR A 130 -13.342 -3.897 -7.142 1.00 0.90 H new ATOM 1957 N PRO A 131 -10.223 -5.010 -8.633 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.519 -3.892 -9.260 1.00 0.65 C ATOM 1959 C PRO A 131 -10.494 -2.840 -9.782 1.00 0.63 C ATOM 1960 O PRO A 131 -11.192 -3.056 -10.776 1.00 0.75 O ATOM 1961 CB PRO A 131 -8.744 -4.538 -10.422 1.00 0.80 C ATOM 1962 CG PRO A 131 -8.807 -6.011 -10.178 1.00 0.92 C ATOM 1963 CD PRO A 131 -10.076 -6.248 -9.413 1.00 0.75 C ATOM 0 HA PRO A 131 -8.870 -3.371 -8.556 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -9.191 -4.280 -11.382 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -7.712 -4.189 -10.447 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -8.809 -6.563 -11.118 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -7.940 -6.350 -9.611 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -10.925 -6.410 -10.078 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -10.003 -7.125 -8.770 1.00 0.75 H new ATOM 1971 N SER A 132 -10.558 -1.715 -9.087 1.00 0.55 N ATOM 1972 CA SER A 132 -11.449 -0.629 -9.461 1.00 0.57 C ATOM 1973 C SER A 132 -10.685 0.690 -9.456 1.00 0.56 C ATOM 1974 O SER A 132 -10.114 1.082 -8.435 1.00 0.73 O ATOM 1975 CB SER A 132 -12.628 -0.562 -8.487 1.00 0.64 C ATOM 1976 OG SER A 132 -13.213 -1.842 -8.301 1.00 1.52 O ATOM 0 H SER A 132 -9.998 -1.530 -8.254 1.00 0.55 H new ATOM 0 HA SER A 132 -11.834 -0.810 -10.465 1.00 0.57 H new ATOM 0 HB2 SER A 132 -12.289 -0.171 -7.528 1.00 0.64 H new ATOM 0 HB3 SER A 132 -13.378 0.132 -8.867 1.00 0.64 H new ATOM 0 HG SER A 132 -14.176 -1.790 -8.473 1.00 1.52 H new ATOM 1982 N GLY A 133 -10.672 1.368 -10.590 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.904 2.586 -10.713 1.00 0.57 C ATOM 1984 C GLY A 133 -8.620 2.356 -11.476 1.00 0.62 C ATOM 1985 O GLY A 133 -8.648 2.102 -12.682 1.00 1.17 O ATOM 0 H GLY A 133 -11.181 1.096 -11.431 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -10.500 3.344 -11.222 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -9.674 2.974 -9.721 1.00 0.57 H new ATOM 1989 N THR A 134 -7.495 2.435 -10.776 1.00 0.62 N ATOM 1990 CA THR A 134 -6.193 2.197 -11.386 1.00 0.97 C ATOM 1991 C THR A 134 -5.256 1.493 -10.413 1.00 0.68 C ATOM 1992 O THR A 134 -5.608 1.246 -9.256 1.00 0.95 O ATOM 1993 CB THR A 134 -5.527 3.513 -11.842 1.00 1.77 C ATOM 1994 OG1 THR A 134 -5.524 4.463 -10.768 1.00 2.38 O ATOM 1995 CG2 THR A 134 -6.233 4.104 -13.050 1.00 2.47 C ATOM 0 H THR A 134 -7.458 2.663 -9.782 1.00 0.62 H new ATOM 0 HA THR A 134 -6.368 1.565 -12.256 1.00 0.97 H new ATOM 0 HB THR A 134 -4.500 3.284 -12.128 1.00 1.77 H new ATOM 0 HG1 THR A 134 -4.600 4.657 -10.505 1.00 2.38 H new ATOM 0 HG21 THR A 134 -5.738 5.030 -13.344 1.00 2.47 H new ATOM 0 HG22 THR A 134 -6.196 3.394 -13.876 1.00 2.47 H new ATOM 0 HG23 THR A 134 -7.273 4.313 -12.798 1.00 2.47 H new ATOM 2003 N THR A 135 -4.068 1.157 -10.890 1.00 0.72 N ATOM 2004 CA THR A 135 -3.031 0.617 -10.036 1.00 0.70 C ATOM 2005 C THR A 135 -1.751 1.439 -10.212 1.00 0.64 C ATOM 2006 O THR A 135 -1.322 1.714 -11.336 1.00 0.88 O ATOM 2007 CB THR A 135 -2.778 -0.889 -10.318 1.00 1.08 C ATOM 2008 OG1 THR A 135 -1.890 -1.439 -9.337 1.00 1.82 O ATOM 2009 CG2 THR A 135 -2.200 -1.116 -11.707 1.00 1.27 C ATOM 0 H THR A 135 -3.801 1.251 -11.870 1.00 0.72 H new ATOM 0 HA THR A 135 -3.361 0.687 -9.000 1.00 0.70 H new ATOM 0 HB THR A 135 -3.743 -1.393 -10.264 1.00 1.08 H new ATOM 0 HG1 THR A 135 -1.812 -0.819 -8.582 1.00 1.82 H new ATOM 0 HG21 THR A 135 -2.038 -2.182 -11.864 1.00 1.27 H new ATOM 0 HG22 THR A 135 -2.896 -0.741 -12.457 1.00 1.27 H new ATOM 0 HG23 THR A 135 -1.251 -0.588 -11.797 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.169 1.870 -9.106 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.002 2.728 -9.171 1.00 0.58 C ATOM 2019 C GLY A 136 1.252 2.017 -8.728 1.00 0.45 C ATOM 2020 O GLY A 136 1.232 1.270 -7.751 1.00 0.67 O ATOM 0 H GLY A 136 -1.482 1.642 -8.162 1.00 0.52 H new ATOM 0 HA2 GLY A 136 0.127 3.087 -10.192 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.162 3.605 -8.543 1.00 0.58 H new ATOM 2024 N THR A 137 2.339 2.237 -9.443 1.00 0.38 N ATOM 2025 CA THR A 137 3.600 1.603 -9.115 1.00 0.33 C ATOM 2026 C THR A 137 4.479 2.567 -8.336 1.00 0.33 C ATOM 2027 O THR A 137 5.046 3.503 -8.905 1.00 0.39 O ATOM 2028 CB THR A 137 4.349 1.144 -10.382 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.463 0.401 -11.232 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.545 0.274 -10.021 1.00 0.50 C ATOM 0 H THR A 137 2.373 2.852 -10.256 1.00 0.38 H new ATOM 0 HA THR A 137 3.380 0.725 -8.508 1.00 0.33 H new ATOM 0 HB THR A 137 4.705 2.031 -10.905 1.00 0.42 H new ATOM 0 HG1 THR A 137 3.945 0.114 -12.036 1.00 0.58 H new ATOM 0 HG21 THR A 137 6.057 -0.037 -10.932 1.00 0.50 H new ATOM 0 HG22 THR A 137 6.232 0.842 -9.395 1.00 0.50 H new ATOM 0 HG23 THR A 137 5.203 -0.607 -9.478 1.00 0.50 H new ATOM 2038 N THR A 138 4.569 2.358 -7.036 1.00 0.32 N ATOM 2039 CA THR A 138 5.429 3.172 -6.209 1.00 0.36 C ATOM 2040 C THR A 138 6.856 2.656 -6.305 1.00 0.37 C ATOM 2041 O THR A 138 7.153 1.533 -5.899 1.00 0.38 O ATOM 2042 CB THR A 138 4.963 3.170 -4.740 1.00 0.39 C ATOM 2043 OG1 THR A 138 3.562 3.467 -4.681 1.00 0.40 O ATOM 2044 CG2 THR A 138 5.732 4.194 -3.918 1.00 0.52 C ATOM 0 H THR A 138 4.057 1.632 -6.534 1.00 0.32 H new ATOM 0 HA THR A 138 5.383 4.200 -6.570 1.00 0.36 H new ATOM 0 HB THR A 138 5.153 2.181 -4.323 1.00 0.39 H new ATOM 0 HG1 THR A 138 3.266 3.464 -3.747 1.00 0.40 H new ATOM 0 HG21 THR A 138 5.382 4.170 -2.886 1.00 0.52 H new ATOM 0 HG22 THR A 138 6.796 3.958 -3.946 1.00 0.52 H new ATOM 0 HG23 THR A 138 5.570 5.189 -4.333 1.00 0.52 H new ATOM 2052 N LYS A 139 7.728 3.455 -6.892 1.00 0.41 N ATOM 2053 CA LYS A 139 9.120 3.081 -7.015 1.00 0.44 C ATOM 2054 C LYS A 139 9.927 3.778 -5.942 1.00 0.44 C ATOM 2055 O LYS A 139 10.121 4.997 -5.971 1.00 0.49 O ATOM 2056 CB LYS A 139 9.664 3.415 -8.410 1.00 0.53 C ATOM 2057 CG LYS A 139 11.143 3.083 -8.590 1.00 0.59 C ATOM 2058 CD LYS A 139 11.410 1.580 -8.606 1.00 1.21 C ATOM 2059 CE LYS A 139 10.959 0.950 -9.915 1.00 1.33 C ATOM 2060 NZ LYS A 139 11.384 -0.472 -10.040 1.00 2.18 N ATOM 0 H LYS A 139 7.495 4.365 -7.290 1.00 0.41 H new ATOM 0 HA LYS A 139 9.205 2.002 -6.883 1.00 0.44 H new ATOM 0 HB2 LYS A 139 9.085 2.870 -9.156 1.00 0.53 H new ATOM 0 HB3 LYS A 139 9.513 4.477 -8.604 1.00 0.53 H new ATOM 0 HG2 LYS A 139 11.499 3.521 -9.522 1.00 0.59 H new ATOM 0 HG3 LYS A 139 11.715 3.541 -7.783 1.00 0.59 H new ATOM 0 HD2 LYS A 139 12.474 1.396 -8.460 1.00 1.21 H new ATOM 0 HD3 LYS A 139 10.888 1.107 -7.774 1.00 1.21 H new ATOM 0 HE2 LYS A 139 9.873 1.009 -9.988 1.00 1.33 H new ATOM 0 HE3 LYS A 139 11.366 1.522 -10.749 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 11.413 -0.739 -11.045 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 12.329 -0.590 -9.623 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 10.707 -1.082 -9.539 1.00 2.18 H new ATOM 2074 N LEU A 140 10.371 2.991 -4.992 1.00 0.45 N ATOM 2075 CA LEU A 140 11.172 3.478 -3.902 1.00 0.44 C ATOM 2076 C LEU A 140 12.649 3.340 -4.257 1.00 0.39 C ATOM 2077 O LEU A 140 13.242 2.270 -4.129 1.00 0.40 O ATOM 2078 CB LEU A 140 10.816 2.706 -2.627 1.00 0.46 C ATOM 2079 CG LEU A 140 11.857 2.750 -1.513 1.00 0.53 C ATOM 2080 CD1 LEU A 140 12.026 4.164 -0.988 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.479 1.801 -0.388 1.00 0.62 C ATOM 0 H LEU A 140 10.184 1.989 -4.956 1.00 0.45 H new ATOM 0 HA LEU A 140 10.970 4.534 -3.722 1.00 0.44 H new ATOM 0 HB2 LEU A 140 9.877 3.099 -2.237 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.640 1.664 -2.893 1.00 0.46 H new ATOM 0 HG LEU A 140 12.812 2.426 -1.927 1.00 0.53 H new ATOM 0 HD11 LEU A 140 12.773 4.171 -0.194 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.351 4.816 -1.798 1.00 0.63 H new ATOM 0 HD13 LEU A 140 11.075 4.522 -0.594 1.00 0.63 H new ATOM 0 HD21 LEU A 140 12.234 1.847 0.396 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.511 2.090 0.022 1.00 0.62 H new ATOM 0 HD23 LEU A 140 11.420 0.784 -0.775 1.00 0.62 H new ATOM 2093 N THR A 141 13.221 4.417 -4.757 1.00 0.39 N ATOM 2094 CA THR A 141 14.617 4.424 -5.137 1.00 0.38 C ATOM 2095 C THR A 141 15.458 4.936 -3.978 1.00 0.34 C ATOM 2096 O THR A 141 15.183 6.001 -3.429 1.00 0.40 O ATOM 2097 CB THR A 141 14.846 5.307 -6.377 1.00 0.48 C ATOM 2098 OG1 THR A 141 13.923 4.937 -7.413 1.00 0.58 O ATOM 2099 CG2 THR A 141 16.269 5.165 -6.890 1.00 0.54 C ATOM 0 H THR A 141 12.737 5.302 -4.910 1.00 0.39 H new ATOM 0 HA THR A 141 14.913 3.404 -5.384 1.00 0.38 H new ATOM 0 HB THR A 141 14.683 6.346 -6.092 1.00 0.48 H new ATOM 0 HG1 THR A 141 14.071 5.502 -8.200 1.00 0.58 H new ATOM 0 HG21 THR A 141 16.405 5.799 -7.766 1.00 0.54 H new ATOM 0 HG22 THR A 141 16.969 5.468 -6.111 1.00 0.54 H new ATOM 0 HG23 THR A 141 16.456 4.126 -7.161 1.00 0.54 H new ATOM 2107 N VAL A 142 16.463 4.174 -3.590 1.00 0.44 N ATOM 2108 CA VAL A 142 17.274 4.545 -2.448 1.00 0.57 C ATOM 2109 C VAL A 142 18.649 5.026 -2.882 1.00 0.77 C ATOM 2110 O VAL A 142 19.492 4.234 -3.301 1.00 1.10 O ATOM 2111 CB VAL A 142 17.440 3.373 -1.468 1.00 0.80 C ATOM 2112 CG1 VAL A 142 18.163 3.825 -0.212 1.00 1.69 C ATOM 2113 CG2 VAL A 142 16.092 2.751 -1.135 1.00 1.74 C ATOM 0 H VAL A 142 16.735 3.302 -4.044 1.00 0.44 H new ATOM 0 HA VAL A 142 16.750 5.357 -1.944 1.00 0.57 H new ATOM 0 HB VAL A 142 18.049 2.607 -1.948 1.00 0.80 H new ATOM 0 HG11 VAL A 142 18.271 2.981 0.469 1.00 1.69 H new ATOM 0 HG12 VAL A 142 19.149 4.206 -0.477 1.00 1.69 H new ATOM 0 HG13 VAL A 142 17.589 4.613 0.275 1.00 1.69 H new ATOM 0 HG21 VAL A 142 16.235 1.924 -0.440 1.00 1.74 H new ATOM 0 HG22 VAL A 142 15.448 3.502 -0.678 1.00 1.74 H new ATOM 0 HG23 VAL A 142 15.626 2.381 -2.048 1.00 1.74 H new ATOM 2123 N THR A 143 18.858 6.324 -2.797 1.00 0.85 N ATOM 2124 CA THR A 143 20.160 6.904 -3.049 1.00 1.18 C ATOM 2125 C THR A 143 20.638 7.643 -1.803 1.00 1.82 C ATOM 2126 O THR A 143 21.472 7.080 -1.065 1.00 2.22 O ATOM 2127 CB THR A 143 20.128 7.863 -4.257 1.00 1.54 C ATOM 2128 OG1 THR A 143 19.594 7.183 -5.407 1.00 2.04 O ATOM 2129 CG2 THR A 143 21.523 8.384 -4.576 1.00 1.94 C ATOM 2130 OXT THR A 143 20.135 8.757 -1.540 1.00 2.58 O ATOM 0 H THR A 143 18.136 7.002 -2.553 1.00 0.85 H new ATOM 0 HA THR A 143 20.854 6.098 -3.287 1.00 1.18 H new ATOM 0 HB THR A 143 19.491 8.710 -4.003 1.00 1.54 H new ATOM 0 HG1 THR A 143 19.574 7.797 -6.170 1.00 2.04 H new ATOM 0 HG21 THR A 143 21.473 9.058 -5.431 1.00 1.94 H new ATOM 0 HG22 THR A 143 21.917 8.921 -3.713 1.00 1.94 H new ATOM 0 HG23 THR A 143 22.179 7.546 -4.812 1.00 1.94 H new TER 2138 THR A 143