USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1230 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 95 SER OG : rot -130:sc= 1.16 USER MOD Set 1.2: A 115 HIS : no HD1:sc= -2.18! C(o=-1!,f=-10!) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 76 THR OG1 : rot -90:sc= 0.939 USER MOD Set 3.1: A 33 ASN : amide:sc= -1.1 K(o=-1.8,f=-0.59) USER MOD Set 3.2: A 84 ASN : amide:sc= -0.701 K(o=-1.8,f=-4!) USER MOD Single : A 1 ASN : amide:sc= -0.0513 K(o=-0.051,f=-6.2!) USER MOD Single : A 1 ASN N :NH3+ -159:sc= 0.895 (180deg=0.451) USER MOD Single : A 2 TYR OH : rot 30:sc=-0.00915 USER MOD Single : A 8 HIS : no HE2:sc= -6.3! C(o=-6.3!,f=-9.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.518 USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= 1.25 (180deg=0.481) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -91:sc= -0.0241 USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0336) USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.249 USER MOD Single : A 34 ASN : amide:sc= -0.323 K(o=-0.32,f=-4.3!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 38 THR OG1 : rot 9:sc= 1.06 USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.109 (180deg=-0.59) USER MOD Single : A 48 LYS NZ :NH3+ -144:sc= 0.177 (180deg=-2.86!) USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -0.0663 (180deg=-0.346) USER MOD Single : A 54 TYR OH : rot -172:sc= 1.21 USER MOD Single : A 59 GLN : amide:sc= -3.87! C(o=-3.9!,f=-1.7!) USER MOD Single : A 63 HIS : no HE2:sc= -4.07! C(o=-3.3!,f=-6.3!) USER MOD Single : A 64 THR OG1 : rot 40:sc= -0.2! USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 80:sc= -1.09 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.092) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0.54 (180deg=0.54) USER MOD Single : A 108 LYS NZ :NH3+ 131:sc= 0.391 (180deg=-1.76!) USER MOD Single : A 109 THR OG1 : rot -9:sc= 0.443 USER MOD Single : A 116 THR OG1 : rot 112:sc= -2.43! USER MOD Single : A 117 HIS : no HD1:sc= -0.652 K(o=-0.65,f=-0.075) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -137:sc=-0.00142 USER MOD Single : A 124 LYS NZ :NH3+ 160:sc= -0.0743 (180deg=-0.579) USER MOD Single : A 125 HIS : no HE2:sc= -0.178 K(o=-0.18,f=-1.7) USER MOD Single : A 127 LYS NZ :NH3+ -171:sc= -0.0204 (180deg=-0.187) USER MOD Single : A 131 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 133 MET CE :methyl -170:sc= -0.347 (180deg=-0.625) USER MOD Single : A 135 LYS NZ :NH3+ 173:sc=-0.00386 (180deg=-0.0635) USER MOD Single : A 139 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 142 GLN : amide:sc= -0.0379 X(o=-0.038,f=-0.072) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= 0.278 K(o=0.28,f=-0.29) USER MOD Single : A 147 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1.11) USER MOD Single : A 154 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.635) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 6.092 11.115 -8.135 1.00 1.65 N ATOM 2 CA ASN A 1 5.842 11.268 -6.680 1.00 1.32 C ATOM 3 C ASN A 1 6.950 10.593 -5.866 1.00 1.24 C ATOM 4 O ASN A 1 6.897 9.395 -5.589 1.00 1.61 O ATOM 5 CB ASN A 1 4.451 10.712 -6.303 1.00 1.23 C ATOM 6 CG ASN A 1 4.253 9.249 -6.688 1.00 1.26 C ATOM 7 OD1 ASN A 1 4.834 8.766 -7.659 1.00 1.66 O ATOM 8 ND2 ASN A 1 3.424 8.539 -5.939 1.00 1.42 N ATOM 0 H1 ASN A 1 5.567 11.846 -8.656 1.00 1.65 H new ATOM 0 H2 ASN A 1 7.109 11.217 -8.325 1.00 1.65 H new ATOM 0 H3 ASN A 1 5.775 10.174 -8.445 1.00 1.65 H new ATOM 0 HA ASN A 1 5.852 12.331 -6.439 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.305 10.819 -5.228 1.00 1.23 H new ATOM 0 HB3 ASN A 1 3.684 11.314 -6.790 1.00 1.23 H new ATOM 0 HD21 ASN A 1 3.250 7.559 -6.160 1.00 1.42 H new ATOM 0 HD22 ASN A 1 2.959 8.972 -5.141 1.00 1.42 H new ATOM 17 N TYR A 2 7.964 11.379 -5.499 1.00 1.16 N ATOM 18 CA TYR A 2 9.130 10.868 -4.762 1.00 1.12 C ATOM 19 C TYR A 2 10.080 12.000 -4.405 1.00 1.22 C ATOM 20 O TYR A 2 10.670 12.001 -3.331 1.00 1.20 O ATOM 21 CB TYR A 2 9.874 9.795 -5.581 1.00 1.31 C ATOM 22 CG TYR A 2 10.338 10.254 -6.954 1.00 1.67 C ATOM 23 CD1 TYR A 2 11.559 10.896 -7.120 1.00 2.21 C ATOM 24 CD2 TYR A 2 9.557 10.036 -8.084 1.00 1.84 C ATOM 25 CE1 TYR A 2 11.985 11.314 -8.363 1.00 2.90 C ATOM 26 CE2 TYR A 2 9.979 10.451 -9.334 1.00 2.43 C ATOM 27 CZ TYR A 2 11.193 11.089 -9.466 1.00 2.97 C ATOM 28 OH TYR A 2 11.622 11.502 -10.707 1.00 3.73 O ATOM 0 H TYR A 2 8.004 12.378 -5.700 1.00 1.16 H new ATOM 0 HA TYR A 2 8.767 10.411 -3.841 1.00 1.12 H new ATOM 0 HB2 TYR A 2 10.741 9.460 -5.012 1.00 1.31 H new ATOM 0 HB3 TYR A 2 9.220 8.932 -5.703 1.00 1.31 H new ATOM 0 HD1 TYR A 2 12.187 11.071 -6.259 1.00 2.21 H new ATOM 0 HD2 TYR A 2 8.606 9.535 -7.984 1.00 1.84 H new ATOM 0 HE1 TYR A 2 12.935 11.815 -8.471 1.00 2.90 H new ATOM 0 HE2 TYR A 2 9.360 10.276 -10.202 1.00 2.43 H new ATOM 0 HH TYR A 2 12.601 11.480 -10.739 1.00 3.73 H new ATOM 38 N ASP A 3 10.210 12.972 -5.300 1.00 1.44 N ATOM 39 CA ASP A 3 11.175 14.049 -5.113 1.00 1.65 C ATOM 40 C ASP A 3 10.715 15.016 -4.009 1.00 1.53 C ATOM 41 O ASP A 3 11.373 15.114 -2.973 1.00 1.62 O ATOM 42 CB ASP A 3 11.424 14.782 -6.441 1.00 1.99 C ATOM 43 CG ASP A 3 12.630 15.701 -6.403 1.00 2.44 C ATOM 44 OD1 ASP A 3 13.625 15.401 -7.097 1.00 2.78 O ATOM 45 OD2 ASP A 3 12.585 16.731 -5.705 1.00 2.63 O ATOM 0 H ASP A 3 9.663 13.037 -6.158 1.00 1.44 H new ATOM 0 HA ASP A 3 12.121 13.615 -4.788 1.00 1.65 H new ATOM 0 HB2 ASP A 3 11.561 14.046 -7.234 1.00 1.99 H new ATOM 0 HB3 ASP A 3 10.540 15.365 -6.697 1.00 1.99 H new ATOM 50 N PRO A 4 9.589 15.745 -4.192 1.00 1.46 N ATOM 51 CA PRO A 4 9.070 16.647 -3.179 1.00 1.45 C ATOM 52 C PRO A 4 7.952 16.024 -2.332 1.00 1.27 C ATOM 53 O PRO A 4 8.129 15.772 -1.138 1.00 1.34 O ATOM 54 CB PRO A 4 8.525 17.807 -4.021 1.00 1.61 C ATOM 55 CG PRO A 4 8.313 17.258 -5.406 1.00 1.63 C ATOM 56 CD PRO A 4 8.753 15.813 -5.391 1.00 1.52 C ATOM 0 HA PRO A 4 9.831 16.930 -2.452 1.00 1.45 H new ATOM 0 HB2 PRO A 4 7.591 18.185 -3.605 1.00 1.61 H new ATOM 0 HB3 PRO A 4 9.227 18.640 -4.036 1.00 1.61 H new ATOM 0 HG2 PRO A 4 7.265 17.337 -5.694 1.00 1.63 H new ATOM 0 HG3 PRO A 4 8.888 17.827 -6.137 1.00 1.63 H new ATOM 0 HD2 PRO A 4 7.904 15.132 -5.332 1.00 1.52 H new ATOM 0 HD3 PRO A 4 9.311 15.550 -6.290 1.00 1.52 H new ATOM 64 N PHE A 5 6.804 15.774 -2.958 1.00 1.17 N ATOM 65 CA PHE A 5 5.630 15.273 -2.251 1.00 1.11 C ATOM 66 C PHE A 5 5.122 13.983 -2.880 1.00 0.94 C ATOM 67 O PHE A 5 4.650 13.984 -4.019 1.00 1.01 O ATOM 68 CB PHE A 5 4.495 16.307 -2.280 1.00 1.40 C ATOM 69 CG PHE A 5 4.814 17.629 -1.633 1.00 1.63 C ATOM 70 CD1 PHE A 5 5.539 18.590 -2.315 1.00 1.75 C ATOM 71 CD2 PHE A 5 4.403 17.906 -0.339 1.00 2.34 C ATOM 72 CE1 PHE A 5 5.846 19.801 -1.723 1.00 2.39 C ATOM 73 CE2 PHE A 5 4.705 19.114 0.257 1.00 3.21 C ATOM 74 CZ PHE A 5 5.378 20.078 -0.441 1.00 3.19 C ATOM 0 H PHE A 5 6.663 15.911 -3.959 1.00 1.17 H new ATOM 0 HA PHE A 5 5.931 15.083 -1.221 1.00 1.11 H new ATOM 0 HB2 PHE A 5 4.216 16.487 -3.318 1.00 1.40 H new ATOM 0 HB3 PHE A 5 3.623 15.880 -1.785 1.00 1.40 H new ATOM 0 HD1 PHE A 5 5.870 18.391 -3.324 1.00 1.75 H new ATOM 0 HD2 PHE A 5 3.839 17.167 0.211 1.00 2.34 H new ATOM 0 HE1 PHE A 5 6.445 20.528 -2.252 1.00 2.39 H new ATOM 0 HE2 PHE A 5 4.408 19.298 1.279 1.00 3.21 H new ATOM 0 HZ PHE A 5 5.546 21.050 -0.000 1.00 3.19 H new ATOM 84 N VAL A 6 5.217 12.888 -2.149 1.00 0.85 N ATOM 85 CA VAL A 6 4.613 11.640 -2.578 1.00 0.79 C ATOM 86 C VAL A 6 3.204 11.554 -2.026 1.00 0.69 C ATOM 87 O VAL A 6 3.014 11.437 -0.821 1.00 0.77 O ATOM 88 CB VAL A 6 5.397 10.412 -2.089 1.00 0.92 C ATOM 89 CG1 VAL A 6 4.780 9.134 -2.632 1.00 1.44 C ATOM 90 CG2 VAL A 6 6.861 10.514 -2.460 1.00 1.41 C ATOM 0 H VAL A 6 5.706 12.837 -1.256 1.00 0.85 H new ATOM 0 HA VAL A 6 4.617 11.635 -3.668 1.00 0.79 H new ATOM 0 HB VAL A 6 5.337 10.382 -1.001 1.00 0.92 H new ATOM 0 HG11 VAL A 6 5.349 8.275 -2.275 1.00 1.44 H new ATOM 0 HG12 VAL A 6 3.748 9.054 -2.289 1.00 1.44 H new ATOM 0 HG13 VAL A 6 4.800 9.155 -3.722 1.00 1.44 H new ATOM 0 HG21 VAL A 6 7.390 9.631 -2.101 1.00 1.41 H new ATOM 0 HG22 VAL A 6 6.958 10.579 -3.544 1.00 1.41 H new ATOM 0 HG23 VAL A 6 7.291 11.405 -2.003 1.00 1.41 H new ATOM 100 N ARG A 7 2.216 11.621 -2.890 1.00 0.64 N ATOM 101 CA ARG A 7 0.847 11.572 -2.429 1.00 0.56 C ATOM 102 C ARG A 7 0.026 10.604 -3.255 1.00 0.54 C ATOM 103 O ARG A 7 0.108 10.590 -4.483 1.00 0.64 O ATOM 104 CB ARG A 7 0.217 12.961 -2.485 1.00 0.57 C ATOM 105 CG ARG A 7 -1.196 13.006 -1.914 1.00 0.57 C ATOM 106 CD ARG A 7 -1.773 14.410 -1.951 1.00 0.71 C ATOM 107 NE ARG A 7 -1.909 14.919 -3.314 1.00 1.61 N ATOM 108 CZ ARG A 7 -3.031 15.445 -3.798 1.00 2.25 C ATOM 109 NH1 ARG A 7 -4.134 15.468 -3.057 1.00 2.26 N ATOM 110 NH2 ARG A 7 -3.052 15.931 -5.032 1.00 3.37 N ATOM 0 H ARG A 7 2.331 11.708 -3.900 1.00 0.64 H new ATOM 0 HA ARG A 7 0.856 11.223 -1.397 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.846 13.660 -1.934 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.194 13.300 -3.521 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.839 12.333 -2.481 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.185 12.644 -0.886 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -2.749 14.412 -1.466 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -1.131 15.079 -1.378 1.00 0.71 H new ATOM 0 HE ARG A 7 -1.097 14.868 -3.930 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -4.122 15.081 -2.113 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -4.992 15.872 -3.432 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -2.210 15.901 -5.606 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -3.910 16.335 -5.406 1.00 3.37 H new ATOM 124 N HIS A 8 -0.762 9.792 -2.574 1.00 0.47 N ATOM 125 CA HIS A 8 -1.708 8.923 -3.247 1.00 0.46 C ATOM 126 C HIS A 8 -3.107 9.420 -2.975 1.00 0.39 C ATOM 127 O HIS A 8 -3.472 9.679 -1.833 1.00 0.39 O ATOM 128 CB HIS A 8 -1.494 7.456 -2.803 1.00 0.56 C ATOM 129 CG HIS A 8 -2.719 6.605 -2.559 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.802 5.707 -1.512 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.871 6.459 -3.257 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.946 5.052 -1.580 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.612 5.490 -2.627 1.00 0.76 N ATOM 0 H HIS A 8 -0.765 9.717 -1.557 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.550 8.945 -4.325 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.889 6.961 -3.563 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.906 7.467 -1.885 1.00 0.56 H new ATOM 0 HD1 HIS A 8 -2.088 5.571 -0.796 1.00 0.46 H new ATOM 0 HD2 HIS A 8 -4.154 7.004 -4.145 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.279 4.287 -0.894 1.00 0.41 H new ATOM 142 N SER A 9 -3.885 9.530 -4.028 1.00 0.42 N ATOM 143 CA SER A 9 -5.245 9.985 -3.913 1.00 0.40 C ATOM 144 C SER A 9 -6.164 9.068 -4.701 1.00 0.41 C ATOM 145 O SER A 9 -6.118 9.016 -5.929 1.00 0.53 O ATOM 146 CB SER A 9 -5.352 11.426 -4.409 1.00 0.52 C ATOM 147 OG SER A 9 -4.393 12.257 -3.768 1.00 1.28 O ATOM 0 H SER A 9 -3.593 9.308 -4.980 1.00 0.42 H new ATOM 0 HA SER A 9 -5.551 9.959 -2.867 1.00 0.40 H new ATOM 0 HB2 SER A 9 -5.201 11.455 -5.488 1.00 0.52 H new ATOM 0 HB3 SER A 9 -6.355 11.807 -4.217 1.00 0.52 H new ATOM 0 HG SER A 9 -4.479 13.174 -4.102 1.00 1.28 H new ATOM 153 N VAL A 10 -6.965 8.323 -3.975 1.00 0.35 N ATOM 154 CA VAL A 10 -7.897 7.379 -4.575 1.00 0.36 C ATOM 155 C VAL A 10 -9.318 7.650 -4.108 1.00 0.32 C ATOM 156 O VAL A 10 -9.542 7.961 -2.938 1.00 0.32 O ATOM 157 CB VAL A 10 -7.493 5.921 -4.240 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.696 4.994 -4.171 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.504 5.412 -5.268 1.00 1.18 C ATOM 0 H VAL A 10 -6.994 8.349 -2.956 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.858 7.511 -5.656 1.00 0.36 H new ATOM 0 HB VAL A 10 -7.030 5.927 -3.253 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.363 3.983 -3.934 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.380 5.342 -3.397 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -9.208 4.991 -5.133 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -6.224 4.387 -5.027 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -6.961 5.440 -6.257 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.615 6.042 -5.261 1.00 1.18 H new ATOM 169 N THR A 11 -10.268 7.552 -5.024 1.00 0.35 N ATOM 170 CA THR A 11 -11.661 7.662 -4.664 1.00 0.34 C ATOM 171 C THR A 11 -12.303 6.283 -4.654 1.00 0.33 C ATOM 172 O THR A 11 -12.416 5.614 -5.682 1.00 0.43 O ATOM 173 CB THR A 11 -12.414 8.591 -5.633 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.746 9.856 -5.693 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.852 8.799 -5.185 1.00 0.51 C ATOM 0 H THR A 11 -10.095 7.397 -6.017 1.00 0.35 H new ATOM 0 HA THR A 11 -11.723 8.096 -3.666 1.00 0.34 H new ATOM 0 HB THR A 11 -12.425 8.126 -6.619 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.223 10.449 -6.311 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.360 9.459 -5.888 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.366 7.838 -5.153 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.862 9.249 -4.192 1.00 0.51 H new ATOM 183 N VAL A 12 -12.711 5.866 -3.475 1.00 0.29 N ATOM 184 CA VAL A 12 -13.360 4.591 -3.281 1.00 0.35 C ATOM 185 C VAL A 12 -14.868 4.757 -3.417 1.00 0.32 C ATOM 186 O VAL A 12 -15.435 5.742 -2.946 1.00 0.36 O ATOM 187 CB VAL A 12 -12.993 4.012 -1.896 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.931 2.891 -1.490 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.551 3.525 -1.902 1.00 0.81 C ATOM 0 H VAL A 12 -12.600 6.408 -2.618 1.00 0.29 H new ATOM 0 HA VAL A 12 -13.017 3.891 -4.043 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.100 4.809 -1.160 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.640 2.510 -0.511 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.952 3.270 -1.444 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.875 2.087 -2.223 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.300 3.118 -0.922 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.432 2.749 -2.658 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.886 4.358 -2.130 1.00 0.81 H new ATOM 199 N LYS A 13 -15.503 3.802 -4.075 1.00 0.34 N ATOM 200 CA LYS A 13 -16.931 3.872 -4.354 1.00 0.38 C ATOM 201 C LYS A 13 -17.692 2.816 -3.560 1.00 0.31 C ATOM 202 O LYS A 13 -18.756 2.351 -3.975 1.00 0.37 O ATOM 203 CB LYS A 13 -17.198 3.694 -5.859 1.00 0.58 C ATOM 204 CG LYS A 13 -16.547 2.457 -6.478 1.00 0.68 C ATOM 205 CD LYS A 13 -15.069 2.680 -6.778 1.00 0.97 C ATOM 206 CE LYS A 13 -14.863 3.805 -7.783 1.00 0.88 C ATOM 207 NZ LYS A 13 -15.301 3.420 -9.151 1.00 0.98 N ATOM 0 H LYS A 13 -15.049 2.961 -4.430 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.285 4.857 -4.048 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -18.275 3.641 -6.020 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -16.840 4.579 -6.385 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -16.656 1.612 -5.799 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -17.068 2.195 -7.399 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -14.541 2.916 -5.854 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.634 1.760 -7.167 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -15.418 4.686 -7.460 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -13.809 4.083 -7.805 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -14.473 3.365 -9.778 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -15.771 2.493 -9.117 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -15.965 4.132 -9.516 1.00 0.98 H new ATOM 221 N ALA A 14 -17.157 2.462 -2.399 1.00 0.29 N ATOM 222 CA ALA A 14 -17.753 1.418 -1.578 1.00 0.30 C ATOM 223 C ALA A 14 -17.476 1.642 -0.095 1.00 0.28 C ATOM 224 O ALA A 14 -17.407 0.682 0.679 1.00 0.31 O ATOM 225 CB ALA A 14 -17.235 0.058 -2.014 1.00 0.36 C ATOM 0 H ALA A 14 -16.314 2.881 -2.006 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.833 1.454 -1.719 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -17.685 -0.718 -1.395 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.496 -0.113 -3.058 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.151 0.028 -1.902 1.00 0.36 H new ATOM 231 N ASP A 15 -17.328 2.913 0.290 1.00 0.28 N ATOM 232 CA ASP A 15 -17.133 3.297 1.695 1.00 0.31 C ATOM 233 C ASP A 15 -15.737 2.924 2.216 1.00 0.28 C ATOM 234 O ASP A 15 -15.025 2.105 1.633 1.00 0.29 O ATOM 235 CB ASP A 15 -18.231 2.685 2.581 1.00 0.39 C ATOM 236 CG ASP A 15 -18.086 3.043 4.046 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.877 2.125 4.864 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.158 4.242 4.378 1.00 0.76 O ATOM 0 H ASP A 15 -17.339 3.701 -0.357 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.208 4.383 1.744 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.205 3.022 2.226 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.211 1.600 2.475 1.00 0.39 H new ATOM 243 N ARG A 16 -15.364 3.549 3.324 1.00 0.28 N ATOM 244 CA ARG A 16 -14.040 3.403 3.913 1.00 0.27 C ATOM 245 C ARG A 16 -13.816 1.980 4.409 1.00 0.28 C ATOM 246 O ARG A 16 -12.677 1.524 4.532 1.00 0.28 O ATOM 247 CB ARG A 16 -13.902 4.394 5.065 1.00 0.29 C ATOM 248 CG ARG A 16 -12.481 4.635 5.521 1.00 0.28 C ATOM 249 CD ARG A 16 -12.386 5.923 6.317 1.00 0.40 C ATOM 250 NE ARG A 16 -13.355 5.976 7.410 1.00 0.93 N ATOM 251 CZ ARG A 16 -13.475 7.008 8.242 1.00 1.32 C ATOM 252 NH1 ARG A 16 -12.674 8.057 8.111 1.00 1.37 N ATOM 253 NH2 ARG A 16 -14.397 6.995 9.198 1.00 1.88 N ATOM 0 H ARG A 16 -15.977 4.177 3.844 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.286 3.610 3.154 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.339 5.346 4.763 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.485 4.030 5.911 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.143 3.798 6.132 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.820 4.686 4.656 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.379 6.023 6.723 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.547 6.771 5.651 1.00 0.40 H new ATOM 0 HE ARG A 16 -13.975 5.177 7.543 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.969 8.071 7.374 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -12.763 8.849 8.747 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -15.017 6.191 9.297 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -14.485 7.789 9.833 1.00 1.88 H new ATOM 267 N LYS A 17 -14.913 1.293 4.686 1.00 0.33 N ATOM 268 CA LYS A 17 -14.878 -0.091 5.127 1.00 0.39 C ATOM 269 C LYS A 17 -14.153 -0.963 4.103 1.00 0.35 C ATOM 270 O LYS A 17 -13.300 -1.778 4.459 1.00 0.37 O ATOM 271 CB LYS A 17 -16.311 -0.578 5.328 1.00 0.53 C ATOM 272 CG LYS A 17 -16.444 -1.884 6.093 1.00 1.34 C ATOM 273 CD LYS A 17 -17.891 -2.104 6.499 1.00 1.70 C ATOM 274 CE LYS A 17 -18.360 -1.005 7.440 1.00 2.46 C ATOM 275 NZ LYS A 17 -19.831 -0.823 7.400 1.00 3.05 N ATOM 0 H LYS A 17 -15.854 1.681 4.611 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.332 -0.161 6.068 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.870 0.194 5.857 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.779 -0.698 4.351 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -16.101 -2.714 5.475 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -15.809 -1.863 6.978 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -18.524 -2.124 5.612 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -17.994 -3.074 6.985 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -18.053 -1.245 8.458 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -17.872 -0.068 7.173 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -20.105 -0.064 8.057 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -20.123 -0.568 6.435 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -20.298 -1.709 7.680 1.00 3.05 H new ATOM 289 N THR A 18 -14.475 -0.767 2.828 1.00 0.35 N ATOM 290 CA THR A 18 -13.836 -1.527 1.767 1.00 0.36 C ATOM 291 C THR A 18 -12.472 -0.943 1.441 1.00 0.33 C ATOM 292 O THR A 18 -11.563 -1.668 1.055 1.00 0.37 O ATOM 293 CB THR A 18 -14.682 -1.555 0.484 1.00 0.41 C ATOM 294 OG1 THR A 18 -14.936 -0.220 0.043 1.00 1.11 O ATOM 295 CG2 THR A 18 -15.996 -2.284 0.708 1.00 0.80 C ATOM 0 H THR A 18 -15.170 -0.092 2.509 1.00 0.35 H new ATOM 0 HA THR A 18 -13.730 -2.548 2.133 1.00 0.36 H new ATOM 0 HB THR A 18 -14.122 -2.092 -0.282 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.774 0.101 0.436 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.573 -2.287 -0.217 1.00 0.80 H new ATOM 0 HG22 THR A 18 -15.795 -3.311 1.014 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.565 -1.778 1.488 1.00 0.80 H new ATOM 303 N ALA A 19 -12.338 0.370 1.593 1.00 0.29 N ATOM 304 CA ALA A 19 -11.065 1.039 1.357 1.00 0.29 C ATOM 305 C ALA A 19 -9.974 0.448 2.242 1.00 0.28 C ATOM 306 O ALA A 19 -8.883 0.124 1.771 1.00 0.32 O ATOM 307 CB ALA A 19 -11.195 2.532 1.602 1.00 0.31 C ATOM 0 H ALA A 19 -13.095 0.991 1.878 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.785 0.882 0.315 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.235 3.015 1.421 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.943 2.948 0.927 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.500 2.706 2.634 1.00 0.31 H new ATOM 313 N PHE A 20 -10.284 0.297 3.523 1.00 0.25 N ATOM 314 CA PHE A 20 -9.359 -0.310 4.472 1.00 0.26 C ATOM 315 C PHE A 20 -9.170 -1.790 4.159 1.00 0.31 C ATOM 316 O PHE A 20 -8.048 -2.301 4.171 1.00 0.33 O ATOM 317 CB PHE A 20 -9.882 -0.131 5.896 1.00 0.28 C ATOM 318 CG PHE A 20 -9.073 -0.839 6.944 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.917 -0.270 7.449 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.482 -2.067 7.433 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.180 -0.914 8.424 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.749 -2.718 8.405 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.597 -2.140 8.903 1.00 0.38 C ATOM 0 H PHE A 20 -11.173 0.588 3.930 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.392 0.186 4.386 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.907 0.933 6.130 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.910 -0.492 5.941 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.587 0.689 7.077 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.384 -2.521 7.050 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.280 -0.460 8.811 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.076 -3.678 8.776 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.024 -2.646 9.666 1.00 0.38 H new ATOM 333 N LYS A 21 -10.280 -2.471 3.883 1.00 0.35 N ATOM 334 CA LYS A 21 -10.243 -3.870 3.472 1.00 0.42 C ATOM 335 C LYS A 21 -9.285 -4.057 2.305 1.00 0.44 C ATOM 336 O LYS A 21 -8.418 -4.918 2.339 1.00 0.49 O ATOM 337 CB LYS A 21 -11.647 -4.349 3.079 1.00 0.49 C ATOM 338 CG LYS A 21 -11.652 -5.588 2.188 1.00 0.64 C ATOM 339 CD LYS A 21 -13.051 -5.931 1.701 1.00 1.24 C ATOM 340 CE LYS A 21 -13.035 -7.092 0.712 1.00 1.79 C ATOM 341 NZ LYS A 21 -12.558 -8.358 1.333 1.00 2.39 N ATOM 0 H LYS A 21 -11.218 -2.074 3.937 1.00 0.35 H new ATOM 0 HA LYS A 21 -9.890 -4.465 4.314 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.214 -4.563 3.985 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.165 -3.540 2.563 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -11.000 -5.421 1.331 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.242 -6.434 2.740 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -13.680 -6.188 2.553 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -13.496 -5.056 1.228 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -14.039 -7.241 0.314 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -12.392 -6.839 -0.131 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -12.645 -9.135 0.647 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -11.562 -8.253 1.614 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -13.134 -8.571 2.173 1.00 2.39 H new ATOM 355 N THR A 22 -9.430 -3.226 1.291 1.00 0.43 N ATOM 356 CA THR A 22 -8.642 -3.354 0.082 1.00 0.48 C ATOM 357 C THR A 22 -7.172 -3.029 0.330 1.00 0.49 C ATOM 358 O THR A 22 -6.296 -3.836 0.029 1.00 0.68 O ATOM 359 CB THR A 22 -9.207 -2.445 -1.027 1.00 0.48 C ATOM 360 OG1 THR A 22 -10.606 -2.707 -1.185 1.00 0.48 O ATOM 361 CG2 THR A 22 -8.499 -2.674 -2.354 1.00 0.58 C ATOM 0 H THR A 22 -10.092 -2.450 1.282 1.00 0.43 H new ATOM 0 HA THR A 22 -8.704 -4.393 -0.242 1.00 0.48 H new ATOM 0 HB THR A 22 -9.044 -1.408 -0.732 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.108 -2.232 -0.491 1.00 0.48 H new ATOM 0 HG21 THR A 22 -8.924 -2.016 -3.112 1.00 0.58 H new ATOM 0 HG22 THR A 22 -7.436 -2.459 -2.241 1.00 0.58 H new ATOM 0 HG23 THR A 22 -8.628 -3.712 -2.661 1.00 0.58 H new ATOM 369 N PHE A 23 -6.901 -1.873 0.917 1.00 0.37 N ATOM 370 CA PHE A 23 -5.527 -1.412 1.062 1.00 0.38 C ATOM 371 C PHE A 23 -4.719 -2.321 1.989 1.00 0.38 C ATOM 372 O PHE A 23 -3.513 -2.478 1.809 1.00 0.43 O ATOM 373 CB PHE A 23 -5.496 0.036 1.567 1.00 0.37 C ATOM 374 CG PHE A 23 -4.123 0.651 1.556 1.00 0.39 C ATOM 375 CD1 PHE A 23 -3.612 1.211 0.395 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.346 0.679 2.708 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.356 1.786 0.381 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.088 1.251 2.697 1.00 0.45 C ATOM 379 CZ PHE A 23 -1.577 1.771 1.536 1.00 0.48 C ATOM 0 H PHE A 23 -7.606 -1.242 1.298 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.062 -1.451 0.077 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.160 0.641 0.950 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -5.890 0.066 2.583 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.203 1.197 -0.509 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -3.729 0.249 3.622 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -1.980 2.245 -0.521 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -1.506 1.288 3.606 1.00 0.45 H new ATOM 0 HZ PHE A 23 -0.573 2.168 1.517 1.00 0.48 H new ATOM 389 N LEU A 24 -5.377 -2.932 2.967 1.00 0.35 N ATOM 390 CA LEU A 24 -4.649 -3.686 3.977 1.00 0.37 C ATOM 391 C LEU A 24 -5.043 -5.167 4.030 1.00 0.39 C ATOM 392 O LEU A 24 -4.186 -6.044 3.940 1.00 0.48 O ATOM 393 CB LEU A 24 -4.857 -3.048 5.348 1.00 0.40 C ATOM 394 CG LEU A 24 -3.833 -3.453 6.404 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.452 -2.959 6.009 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.227 -2.909 7.762 1.00 0.44 C ATOM 0 H LEU A 24 -6.391 -2.921 3.081 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.597 -3.651 3.696 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -4.833 -1.964 5.236 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -5.852 -3.310 5.708 1.00 0.40 H new ATOM 0 HG LEU A 24 -3.808 -4.541 6.468 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.729 -3.253 6.770 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.169 -3.396 5.051 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.465 -1.873 5.922 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.485 -3.208 8.503 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.278 -1.821 7.717 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.202 -3.306 8.044 1.00 0.44 H new ATOM 408 N GLU A 25 -6.333 -5.447 4.181 1.00 0.40 N ATOM 409 CA GLU A 25 -6.786 -6.800 4.516 1.00 0.46 C ATOM 410 C GLU A 25 -6.859 -7.713 3.294 1.00 0.54 C ATOM 411 O GLU A 25 -6.783 -8.937 3.410 1.00 1.01 O ATOM 412 CB GLU A 25 -8.147 -6.739 5.209 1.00 0.51 C ATOM 413 CG GLU A 25 -8.172 -5.791 6.396 1.00 0.66 C ATOM 414 CD GLU A 25 -9.348 -6.035 7.314 1.00 0.91 C ATOM 415 OE1 GLU A 25 -9.213 -6.827 8.263 1.00 1.24 O ATOM 416 OE2 GLU A 25 -10.414 -5.429 7.078 1.00 1.18 O ATOM 0 H GLU A 25 -7.082 -4.763 4.078 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.047 -7.229 5.192 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -8.902 -6.427 4.487 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.422 -7.739 5.545 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -7.247 -5.899 6.962 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.206 -4.763 6.034 1.00 0.66 H new ATOM 423 N GLY A 26 -6.996 -7.113 2.133 1.00 0.37 N ATOM 424 CA GLY A 26 -7.099 -7.874 0.902 1.00 0.45 C ATOM 425 C GLY A 26 -5.866 -7.709 0.054 1.00 0.48 C ATOM 426 O GLY A 26 -5.917 -7.829 -1.166 1.00 0.83 O ATOM 0 H GLY A 26 -7.039 -6.101 2.012 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.245 -8.929 1.135 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -7.975 -7.547 0.342 1.00 0.45 H new ATOM 430 N PHE A 27 -4.754 -7.471 0.728 1.00 0.42 N ATOM 431 CA PHE A 27 -3.505 -7.092 0.090 1.00 0.44 C ATOM 432 C PHE A 27 -3.155 -7.999 -1.099 1.00 0.47 C ATOM 433 O PHE A 27 -2.937 -7.503 -2.200 1.00 0.53 O ATOM 434 CB PHE A 27 -2.385 -7.091 1.139 1.00 0.48 C ATOM 435 CG PHE A 27 -1.085 -6.531 0.651 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.006 -5.218 0.227 1.00 0.57 C ATOM 437 CD2 PHE A 27 0.057 -7.317 0.618 1.00 0.63 C ATOM 438 CE1 PHE A 27 0.190 -4.694 -0.224 1.00 0.65 C ATOM 439 CE2 PHE A 27 1.255 -6.798 0.170 1.00 0.74 C ATOM 440 CZ PHE A 27 1.328 -5.500 -0.255 1.00 0.71 C ATOM 0 H PHE A 27 -4.692 -7.536 1.744 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.621 -6.089 -0.321 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.714 -6.515 2.004 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.222 -8.113 1.480 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -1.888 -4.595 0.248 1.00 0.57 H new ATOM 0 HD2 PHE A 27 0.009 -8.345 0.946 1.00 0.63 H new ATOM 0 HE1 PHE A 27 0.244 -3.666 -0.551 1.00 0.65 H new ATOM 0 HE2 PHE A 27 2.138 -7.419 0.155 1.00 0.74 H new ATOM 0 HZ PHE A 27 2.265 -5.100 -0.614 1.00 0.71 H new ATOM 450 N PRO A 28 -3.101 -9.333 -0.919 1.00 0.49 N ATOM 451 CA PRO A 28 -2.704 -10.247 -1.993 1.00 0.57 C ATOM 452 C PRO A 28 -3.862 -10.870 -2.786 1.00 0.59 C ATOM 453 O PRO A 28 -3.787 -12.041 -3.164 1.00 0.76 O ATOM 454 CB PRO A 28 -2.012 -11.322 -1.186 1.00 0.73 C ATOM 455 CG PRO A 28 -2.885 -11.472 0.011 1.00 0.74 C ATOM 456 CD PRO A 28 -3.345 -10.078 0.340 1.00 0.52 C ATOM 0 HA PRO A 28 -2.122 -9.741 -2.763 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -1.932 -12.255 -1.744 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -0.999 -11.028 -0.910 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -3.731 -12.127 -0.198 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -2.338 -11.913 0.844 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.398 -10.058 0.622 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -2.784 -9.655 1.173 1.00 0.52 H new ATOM 464 N GLU A 29 -4.925 -10.120 -3.056 1.00 0.54 N ATOM 465 CA GLU A 29 -6.035 -10.692 -3.820 1.00 0.67 C ATOM 466 C GLU A 29 -6.503 -9.789 -4.963 1.00 0.69 C ATOM 467 O GLU A 29 -7.300 -10.215 -5.801 1.00 0.85 O ATOM 468 CB GLU A 29 -7.221 -11.008 -2.905 1.00 0.85 C ATOM 469 CG GLU A 29 -7.928 -9.778 -2.371 1.00 0.90 C ATOM 470 CD GLU A 29 -9.177 -10.129 -1.587 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.092 -10.225 -0.343 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.249 -10.306 -2.209 1.00 1.49 O ATOM 0 H GLU A 29 -5.044 -9.148 -2.771 1.00 0.54 H new ATOM 0 HA GLU A 29 -5.652 -11.612 -4.262 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -7.938 -11.618 -3.454 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -6.870 -11.607 -2.065 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.246 -9.218 -1.732 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.195 -9.125 -3.202 1.00 0.90 H new ATOM 479 N TRP A 30 -6.039 -8.550 -4.994 1.00 0.64 N ATOM 480 CA TRP A 30 -6.461 -7.614 -6.034 1.00 0.81 C ATOM 481 C TRP A 30 -5.761 -7.892 -7.364 1.00 0.66 C ATOM 482 O TRP A 30 -4.853 -8.716 -7.446 1.00 0.74 O ATOM 483 CB TRP A 30 -6.202 -6.187 -5.575 1.00 1.07 C ATOM 484 CG TRP A 30 -6.708 -5.944 -4.192 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.037 -5.339 -3.178 1.00 0.50 C ATOM 486 CD2 TRP A 30 -7.982 -6.337 -3.654 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.814 -5.316 -2.052 1.00 0.80 N ATOM 488 CE2 TRP A 30 -8.011 -5.922 -2.316 1.00 2.05 C ATOM 489 CE3 TRP A 30 -9.100 -6.992 -4.174 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -9.111 -6.140 -1.488 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -10.191 -7.209 -3.351 1.00 4.62 C ATOM 492 CH2 TRP A 30 -10.188 -6.782 -2.021 1.00 4.29 C ATOM 0 H TRP A 30 -5.376 -8.168 -4.320 1.00 0.64 H new ATOM 0 HA TRP A 30 -7.530 -7.749 -6.201 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -5.132 -5.983 -5.610 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -6.682 -5.492 -6.264 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -5.038 -4.936 -3.250 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -6.543 -4.910 -1.156 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -9.113 -7.324 -5.202 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -9.110 -5.811 -0.459 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -11.059 -7.717 -3.744 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -11.055 -6.964 -1.404 1.00 4.29 H new ATOM 503 N TRP A 31 -6.197 -7.184 -8.397 1.00 0.55 N ATOM 504 CA TRP A 31 -5.713 -7.399 -9.762 1.00 0.57 C ATOM 505 C TRP A 31 -4.290 -6.852 -10.016 1.00 0.60 C ATOM 506 O TRP A 31 -3.451 -7.566 -10.566 1.00 0.74 O ATOM 507 CB TRP A 31 -6.657 -6.730 -10.770 1.00 0.74 C ATOM 508 CG TRP A 31 -8.114 -6.990 -10.532 1.00 0.62 C ATOM 509 CD1 TRP A 31 -9.021 -6.118 -9.999 1.00 0.69 C ATOM 510 CD2 TRP A 31 -8.837 -8.189 -10.832 1.00 1.24 C ATOM 511 NE1 TRP A 31 -10.261 -6.701 -9.950 1.00 1.10 N ATOM 512 CE2 TRP A 31 -10.173 -7.975 -10.449 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.482 -9.425 -11.379 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -11.157 -8.947 -10.606 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -9.459 -10.389 -11.532 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.782 -10.146 -11.144 1.00 2.78 C ATOM 0 H TRP A 31 -6.895 -6.445 -8.317 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.684 -8.481 -9.890 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.486 -5.654 -10.748 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.399 -7.074 -11.772 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -8.794 -5.116 -9.665 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -11.111 -6.259 -9.599 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.463 -9.623 -11.676 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -12.180 -8.760 -10.313 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -9.198 -11.346 -11.958 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -11.522 -10.922 -11.273 1.00 2.78 H new ATOM 527 N PRO A 32 -3.989 -5.593 -9.608 1.00 0.71 N ATOM 528 CA PRO A 32 -2.870 -4.812 -10.182 1.00 0.84 C ATOM 529 C PRO A 32 -1.493 -5.469 -10.066 1.00 0.85 C ATOM 530 O PRO A 32 -1.039 -6.158 -10.978 1.00 1.36 O ATOM 531 CB PRO A 32 -2.897 -3.505 -9.386 1.00 1.01 C ATOM 532 CG PRO A 32 -3.642 -3.826 -8.137 1.00 0.92 C ATOM 533 CD PRO A 32 -4.665 -4.842 -8.531 1.00 0.87 C ATOM 0 HA PRO A 32 -3.008 -4.699 -11.257 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.888 -3.157 -9.165 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.391 -2.712 -9.947 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.973 -4.219 -7.371 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -4.113 -2.935 -7.722 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.934 -5.488 -7.696 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.585 -4.374 -8.881 1.00 0.87 H new ATOM 541 N ASN A 33 -0.822 -5.230 -8.953 1.00 0.53 N ATOM 542 CA ASN A 33 0.500 -5.790 -8.716 1.00 0.57 C ATOM 543 C ASN A 33 0.393 -6.820 -7.606 1.00 0.67 C ATOM 544 O ASN A 33 1.345 -7.526 -7.291 1.00 0.72 O ATOM 545 CB ASN A 33 1.477 -4.672 -8.326 1.00 0.60 C ATOM 546 CG ASN A 33 2.937 -5.101 -8.381 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.581 -5.014 -9.423 1.00 1.51 O ATOM 548 ND2 ASN A 33 3.475 -5.543 -7.255 1.00 0.76 N ATOM 0 H ASN A 33 -1.173 -4.647 -8.193 1.00 0.53 H new ATOM 0 HA ASN A 33 0.877 -6.268 -9.620 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.330 -3.822 -8.992 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.244 -4.331 -7.317 1.00 0.60 H new ATOM 0 HD21 ASN A 33 4.455 -5.825 -7.234 1.00 0.76 H new ATOM 0 HD22 ASN A 33 2.909 -5.602 -6.408 1.00 0.76 H new ATOM 555 N ASN A 34 -0.813 -6.920 -7.065 1.00 0.85 N ATOM 556 CA ASN A 34 -1.071 -7.666 -5.838 1.00 1.03 C ATOM 557 C ASN A 34 -1.509 -9.103 -6.107 1.00 1.40 C ATOM 558 O ASN A 34 -2.139 -9.729 -5.257 1.00 1.74 O ATOM 559 CB ASN A 34 -2.156 -6.944 -5.041 1.00 1.07 C ATOM 560 CG ASN A 34 -1.721 -5.564 -4.593 1.00 1.16 C ATOM 561 OD1 ASN A 34 -1.840 -4.589 -5.339 1.00 1.79 O ATOM 562 ND2 ASN A 34 -1.226 -5.467 -3.370 1.00 1.47 N ATOM 0 H ASN A 34 -1.644 -6.485 -7.465 1.00 0.85 H new ATOM 0 HA ASN A 34 -0.139 -7.714 -5.275 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -3.055 -6.858 -5.651 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -2.419 -7.541 -4.168 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -0.926 -4.560 -3.012 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -1.145 -6.299 -2.785 1.00 1.47 H new ATOM 569 N PHE A 35 -1.172 -9.632 -7.271 1.00 1.51 N ATOM 570 CA PHE A 35 -1.544 -11.002 -7.599 1.00 1.98 C ATOM 571 C PHE A 35 -0.354 -11.748 -8.200 1.00 2.03 C ATOM 572 O PHE A 35 -0.406 -12.235 -9.334 1.00 2.51 O ATOM 573 CB PHE A 35 -2.742 -11.015 -8.558 1.00 2.40 C ATOM 574 CG PHE A 35 -3.479 -12.326 -8.589 1.00 2.92 C ATOM 575 CD1 PHE A 35 -3.360 -13.182 -9.673 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.290 -12.701 -7.530 1.00 3.49 C ATOM 577 CE1 PHE A 35 -4.037 -14.387 -9.700 1.00 3.91 C ATOM 578 CE2 PHE A 35 -4.968 -13.902 -7.552 1.00 4.27 C ATOM 579 CZ PHE A 35 -4.843 -14.747 -8.638 1.00 4.45 C ATOM 0 H PHE A 35 -0.649 -9.143 -7.997 1.00 1.51 H new ATOM 0 HA PHE A 35 -1.837 -11.514 -6.683 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -3.436 -10.225 -8.269 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -2.393 -10.781 -9.564 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -2.731 -12.904 -10.506 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.392 -12.046 -6.678 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -3.936 -15.046 -10.550 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -5.597 -14.182 -6.720 1.00 4.27 H new ATOM 0 HZ PHE A 35 -5.374 -15.687 -8.656 1.00 4.45 H new ATOM 589 N ARG A 36 0.729 -11.811 -7.435 1.00 1.65 N ATOM 590 CA ARG A 36 1.934 -12.525 -7.845 1.00 1.75 C ATOM 591 C ARG A 36 2.472 -13.337 -6.671 1.00 1.59 C ATOM 592 O ARG A 36 2.389 -12.905 -5.522 1.00 1.48 O ATOM 593 CB ARG A 36 3.013 -11.541 -8.321 1.00 1.73 C ATOM 594 CG ARG A 36 2.605 -10.684 -9.508 1.00 1.84 C ATOM 595 CD ARG A 36 2.473 -11.507 -10.776 1.00 2.25 C ATOM 596 NE ARG A 36 1.890 -10.734 -11.869 1.00 2.72 N ATOM 597 CZ ARG A 36 1.558 -11.257 -13.045 1.00 3.34 C ATOM 598 NH1 ARG A 36 1.864 -12.516 -13.330 1.00 3.59 N ATOM 599 NH2 ARG A 36 0.954 -10.509 -13.953 1.00 4.14 N ATOM 0 H ARG A 36 0.798 -11.371 -6.517 1.00 1.65 H new ATOM 0 HA ARG A 36 1.678 -13.190 -8.670 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.281 -10.887 -7.492 1.00 1.73 H new ATOM 0 HB3 ARG A 36 3.908 -12.103 -8.586 1.00 1.73 H new ATOM 0 HG2 ARG A 36 1.656 -10.193 -9.293 1.00 1.84 H new ATOM 0 HG3 ARG A 36 3.344 -9.897 -9.660 1.00 1.84 H new ATOM 0 HD2 ARG A 36 3.455 -11.874 -11.074 1.00 2.25 H new ATOM 0 HD3 ARG A 36 1.853 -12.381 -10.578 1.00 2.25 H new ATOM 0 HE ARG A 36 1.729 -9.738 -11.722 1.00 2.72 H new ATOM 0 HH11 ARG A 36 2.357 -13.089 -12.645 1.00 3.59 H new ATOM 0 HH12 ARG A 36 1.606 -12.911 -14.234 1.00 3.59 H new ATOM 0 HH21 ARG A 36 0.743 -9.532 -13.751 1.00 4.14 H new ATOM 0 HH22 ARG A 36 0.699 -10.909 -14.856 1.00 4.14 H new ATOM 613 N THR A 37 3.042 -14.496 -6.949 1.00 1.75 N ATOM 614 CA THR A 37 3.554 -15.348 -5.887 1.00 1.72 C ATOM 615 C THR A 37 4.867 -14.791 -5.352 1.00 1.37 C ATOM 616 O THR A 37 5.749 -14.414 -6.127 1.00 1.37 O ATOM 617 CB THR A 37 3.744 -16.803 -6.363 1.00 2.19 C ATOM 618 OG1 THR A 37 4.329 -16.828 -7.671 1.00 2.53 O ATOM 619 CG2 THR A 37 2.415 -17.544 -6.383 1.00 2.68 C ATOM 0 H THR A 37 3.162 -14.868 -7.891 1.00 1.75 H new ATOM 0 HA THR A 37 2.816 -15.358 -5.085 1.00 1.72 H new ATOM 0 HB THR A 37 4.413 -17.302 -5.661 1.00 2.19 H new ATOM 0 HG1 THR A 37 4.445 -17.757 -7.960 1.00 2.53 H new ATOM 0 HG21 THR A 37 2.574 -18.568 -6.722 1.00 2.68 H new ATOM 0 HG22 THR A 37 1.990 -17.556 -5.379 1.00 2.68 H new ATOM 0 HG23 THR A 37 1.727 -17.040 -7.062 1.00 2.68 H new ATOM 627 N THR A 38 4.962 -14.718 -4.019 1.00 1.24 N ATOM 628 CA THR A 38 6.072 -14.065 -3.312 1.00 1.07 C ATOM 629 C THR A 38 6.282 -12.624 -3.790 1.00 1.09 C ATOM 630 O THR A 38 7.346 -12.038 -3.607 1.00 1.38 O ATOM 631 CB THR A 38 7.399 -14.858 -3.410 1.00 1.16 C ATOM 632 OG1 THR A 38 7.816 -15.018 -4.773 1.00 1.42 O ATOM 633 CG2 THR A 38 7.260 -16.226 -2.757 1.00 1.37 C ATOM 0 H THR A 38 4.262 -15.115 -3.393 1.00 1.24 H new ATOM 0 HA THR A 38 5.780 -14.045 -2.262 1.00 1.07 H new ATOM 0 HB THR A 38 8.158 -14.282 -2.881 1.00 1.16 H new ATOM 0 HG1 THR A 38 7.252 -14.466 -5.354 1.00 1.42 H new ATOM 0 HG21 THR A 38 8.204 -16.765 -2.838 1.00 1.37 H new ATOM 0 HG22 THR A 38 7.001 -16.103 -1.705 1.00 1.37 H new ATOM 0 HG23 THR A 38 6.475 -16.791 -3.260 1.00 1.37 H new ATOM 641 N LYS A 39 5.243 -12.053 -4.371 1.00 0.96 N ATOM 642 CA LYS A 39 5.286 -10.686 -4.864 1.00 1.09 C ATOM 643 C LYS A 39 3.996 -9.960 -4.536 1.00 1.22 C ATOM 644 O LYS A 39 3.111 -9.830 -5.382 1.00 1.97 O ATOM 645 CB LYS A 39 5.529 -10.676 -6.363 1.00 1.15 C ATOM 646 CG LYS A 39 6.913 -10.213 -6.754 1.00 1.49 C ATOM 647 CD LYS A 39 6.997 -8.698 -6.838 1.00 1.66 C ATOM 648 CE LYS A 39 8.335 -8.243 -7.397 1.00 2.28 C ATOM 649 NZ LYS A 39 8.603 -8.820 -8.743 1.00 2.90 N ATOM 0 H LYS A 39 4.348 -12.521 -4.515 1.00 0.96 H new ATOM 0 HA LYS A 39 6.108 -10.167 -4.371 1.00 1.09 H new ATOM 0 HB2 LYS A 39 5.368 -11.681 -6.754 1.00 1.15 H new ATOM 0 HB3 LYS A 39 4.792 -10.028 -6.837 1.00 1.15 H new ATOM 0 HG2 LYS A 39 7.638 -10.578 -6.026 1.00 1.49 H new ATOM 0 HG3 LYS A 39 7.183 -10.646 -7.717 1.00 1.49 H new ATOM 0 HD2 LYS A 39 6.192 -8.323 -7.469 1.00 1.66 H new ATOM 0 HD3 LYS A 39 6.851 -8.269 -5.847 1.00 1.66 H new ATOM 0 HE2 LYS A 39 8.351 -7.155 -7.459 1.00 2.28 H new ATOM 0 HE3 LYS A 39 9.132 -8.534 -6.713 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 9.311 -8.239 -9.235 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 8.963 -9.790 -8.639 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 7.722 -8.834 -9.296 1.00 2.90 H new ATOM 663 N VAL A 40 3.916 -9.516 -3.286 1.00 1.04 N ATOM 664 CA VAL A 40 2.727 -8.866 -2.699 1.00 1.22 C ATOM 665 C VAL A 40 1.414 -9.561 -3.082 1.00 1.42 C ATOM 666 O VAL A 40 0.347 -8.947 -3.065 1.00 1.83 O ATOM 667 CB VAL A 40 2.649 -7.347 -3.020 1.00 1.30 C ATOM 668 CG1 VAL A 40 3.901 -6.634 -2.540 1.00 1.78 C ATOM 669 CG2 VAL A 40 2.422 -7.075 -4.497 1.00 1.40 C ATOM 0 H VAL A 40 4.691 -9.596 -2.628 1.00 1.04 H new ATOM 0 HA VAL A 40 2.854 -8.972 -1.622 1.00 1.22 H new ATOM 0 HB VAL A 40 1.785 -6.955 -2.484 1.00 1.30 H new ATOM 0 HG11 VAL A 40 3.827 -5.572 -2.774 1.00 1.78 H new ATOM 0 HG12 VAL A 40 4.002 -6.762 -1.462 1.00 1.78 H new ATOM 0 HG13 VAL A 40 4.774 -7.056 -3.039 1.00 1.78 H new ATOM 0 HG21 VAL A 40 2.376 -5.999 -4.666 1.00 1.40 H new ATOM 0 HG22 VAL A 40 3.243 -7.498 -5.075 1.00 1.40 H new ATOM 0 HG23 VAL A 40 1.484 -7.532 -4.811 1.00 1.40 H new ATOM 679 N GLY A 41 1.500 -10.854 -3.377 1.00 1.42 N ATOM 680 CA GLY A 41 0.328 -11.615 -3.755 1.00 1.82 C ATOM 681 C GLY A 41 0.359 -13.018 -3.187 1.00 1.67 C ATOM 682 O GLY A 41 -0.365 -13.903 -3.643 1.00 2.17 O ATOM 0 H GLY A 41 2.368 -11.390 -3.360 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -0.567 -11.101 -3.405 1.00 1.82 H new ATOM 0 HA3 GLY A 41 0.262 -11.665 -4.842 1.00 1.82 H new ATOM 686 N ALA A 42 1.219 -13.224 -2.199 1.00 1.12 N ATOM 687 CA ALA A 42 1.266 -14.490 -1.479 1.00 1.00 C ATOM 688 C ALA A 42 0.131 -14.526 -0.466 1.00 1.01 C ATOM 689 O ALA A 42 -0.408 -13.479 -0.141 1.00 1.09 O ATOM 690 CB ALA A 42 2.606 -14.658 -0.785 1.00 0.80 C ATOM 0 H ALA A 42 1.894 -12.530 -1.877 1.00 1.12 H new ATOM 0 HA ALA A 42 1.149 -15.313 -2.184 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.623 -15.609 -0.252 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.404 -14.643 -1.527 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.754 -13.843 -0.077 1.00 0.80 H new ATOM 696 N PRO A 43 -0.246 -15.713 0.046 1.00 1.05 N ATOM 697 CA PRO A 43 -1.393 -15.872 0.968 1.00 1.15 C ATOM 698 C PRO A 43 -1.230 -15.165 2.323 1.00 1.08 C ATOM 699 O PRO A 43 -1.449 -15.771 3.374 1.00 1.40 O ATOM 700 CB PRO A 43 -1.475 -17.392 1.180 1.00 1.29 C ATOM 701 CG PRO A 43 -0.713 -17.985 0.047 1.00 1.48 C ATOM 702 CD PRO A 43 0.383 -17.009 -0.255 1.00 1.11 C ATOM 0 HA PRO A 43 -2.286 -15.417 0.540 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.043 -17.680 2.139 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -2.510 -17.734 1.181 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -0.307 -18.960 0.315 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -1.355 -18.135 -0.821 1.00 1.48 H new ATOM 0 HD2 PRO A 43 1.264 -17.185 0.363 1.00 1.11 H new ATOM 0 HD3 PRO A 43 0.705 -17.071 -1.294 1.00 1.11 H new ATOM 710 N LEU A 44 -0.874 -13.885 2.298 1.00 0.87 N ATOM 711 CA LEU A 44 -0.823 -13.076 3.502 1.00 0.85 C ATOM 712 C LEU A 44 -0.718 -11.593 3.160 1.00 0.81 C ATOM 713 O LEU A 44 -1.727 -10.896 3.072 1.00 1.24 O ATOM 714 CB LEU A 44 0.342 -13.490 4.396 1.00 0.95 C ATOM 715 CG LEU A 44 0.463 -12.692 5.691 1.00 1.26 C ATOM 716 CD1 LEU A 44 -0.781 -12.866 6.549 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.696 -13.126 6.459 1.00 1.66 C ATOM 0 H LEU A 44 -0.615 -13.386 1.447 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.752 -13.243 4.047 1.00 0.85 H new ATOM 0 HB2 LEU A 44 0.235 -14.546 4.644 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.270 -13.387 3.833 1.00 0.95 H new ATOM 0 HG LEU A 44 0.559 -11.636 5.437 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.673 -12.289 7.467 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.654 -12.514 5.999 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -0.908 -13.920 6.796 1.00 1.75 H new ATOM 0 HD21 LEU A 44 1.772 -12.550 7.381 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.621 -14.187 6.699 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.583 -12.954 5.850 1.00 1.66 H new ATOM 729 N GLY A 45 0.503 -11.108 2.987 1.00 0.61 N ATOM 730 CA GLY A 45 0.704 -9.733 2.601 1.00 0.75 C ATOM 731 C GLY A 45 0.864 -8.812 3.792 1.00 0.61 C ATOM 732 O GLY A 45 1.871 -8.116 3.916 1.00 0.61 O ATOM 0 H GLY A 45 1.360 -11.648 3.109 1.00 0.61 H new ATOM 0 HA2 GLY A 45 1.590 -9.662 1.970 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.143 -9.401 2.000 1.00 0.75 H new ATOM 736 N VAL A 46 -0.121 -8.813 4.677 1.00 0.54 N ATOM 737 CA VAL A 46 -0.113 -7.925 5.828 1.00 0.45 C ATOM 738 C VAL A 46 -0.497 -8.675 7.100 1.00 0.47 C ATOM 739 O VAL A 46 -1.330 -9.582 7.075 1.00 0.60 O ATOM 740 CB VAL A 46 -1.079 -6.733 5.636 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.078 -5.839 6.867 1.00 0.52 C ATOM 742 CG2 VAL A 46 -0.710 -5.933 4.395 1.00 0.49 C ATOM 0 H VAL A 46 -0.938 -9.421 4.619 1.00 0.54 H new ATOM 0 HA VAL A 46 0.903 -7.543 5.923 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.085 -7.130 5.499 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -1.764 -5.006 6.712 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.397 -6.415 7.735 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.072 -5.454 7.036 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.403 -5.100 4.280 1.00 0.49 H new ATOM 0 HG22 VAL A 46 0.305 -5.549 4.498 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -0.767 -6.576 3.517 1.00 0.49 H new ATOM 752 N ASP A 47 0.114 -8.277 8.204 1.00 0.41 N ATOM 753 CA ASP A 47 -0.154 -8.871 9.501 1.00 0.49 C ATOM 754 C ASP A 47 -0.638 -7.788 10.452 1.00 0.52 C ATOM 755 O ASP A 47 0.158 -6.981 10.933 1.00 0.57 O ATOM 756 CB ASP A 47 1.114 -9.513 10.053 1.00 0.58 C ATOM 757 CG ASP A 47 0.860 -10.412 11.241 1.00 0.79 C ATOM 758 OD1 ASP A 47 0.843 -11.645 11.069 1.00 1.11 O ATOM 759 OD2 ASP A 47 0.654 -9.884 12.353 1.00 0.95 O ATOM 0 H ASP A 47 0.810 -7.532 8.225 1.00 0.41 H new ATOM 0 HA ASP A 47 -0.920 -9.640 9.398 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.593 -10.092 9.264 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.814 -8.729 10.342 1.00 0.58 H new ATOM 764 N LYS A 48 -1.941 -7.749 10.695 1.00 0.63 N ATOM 765 CA LYS A 48 -2.531 -6.689 11.507 1.00 0.79 C ATOM 766 C LYS A 48 -2.305 -6.911 12.995 1.00 0.85 C ATOM 767 O LYS A 48 -2.248 -5.957 13.768 1.00 1.06 O ATOM 768 CB LYS A 48 -4.021 -6.560 11.226 1.00 1.01 C ATOM 769 CG LYS A 48 -4.331 -5.673 10.033 1.00 1.38 C ATOM 770 CD LYS A 48 -5.592 -6.121 9.332 1.00 1.34 C ATOM 771 CE LYS A 48 -5.434 -7.543 8.838 1.00 2.06 C ATOM 772 NZ LYS A 48 -6.624 -8.010 8.078 1.00 2.81 N ATOM 0 H LYS A 48 -2.609 -8.435 10.344 1.00 0.63 H new ATOM 0 HA LYS A 48 -2.029 -5.763 11.228 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.438 -7.552 11.051 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.517 -6.157 12.109 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -4.443 -4.640 10.364 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -3.495 -5.695 9.333 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -6.439 -6.057 10.015 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -5.807 -5.458 8.494 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -4.551 -7.609 8.203 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -5.266 -8.204 9.688 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -6.788 -9.018 8.275 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -7.458 -7.460 8.367 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -6.459 -7.879 7.060 1.00 2.81 H new ATOM 786 N LYS A 49 -2.181 -8.168 13.398 1.00 0.80 N ATOM 787 CA LYS A 49 -2.022 -8.490 14.809 1.00 0.97 C ATOM 788 C LYS A 49 -0.629 -8.106 15.306 1.00 1.14 C ATOM 789 O LYS A 49 -0.466 -7.684 16.453 1.00 1.32 O ATOM 790 CB LYS A 49 -2.308 -9.975 15.071 1.00 1.08 C ATOM 791 CG LYS A 49 -1.478 -10.932 14.230 1.00 1.35 C ATOM 792 CD LYS A 49 -1.792 -12.387 14.554 1.00 1.66 C ATOM 793 CE LYS A 49 -3.191 -12.782 14.110 1.00 2.40 C ATOM 794 NZ LYS A 49 -3.364 -12.642 12.640 1.00 3.17 N ATOM 0 H LYS A 49 -2.187 -8.975 12.774 1.00 0.80 H new ATOM 0 HA LYS A 49 -2.751 -7.904 15.369 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -2.128 -10.187 16.125 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -3.364 -10.168 14.883 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -1.668 -10.746 13.173 1.00 1.35 H new ATOM 0 HG3 LYS A 49 -0.419 -10.742 14.402 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -1.061 -13.032 14.066 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -1.694 -12.548 15.627 1.00 1.66 H new ATOM 0 HE2 LYS A 49 -3.387 -13.813 14.402 1.00 2.40 H new ATOM 0 HE3 LYS A 49 -3.924 -12.160 14.623 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 -4.202 -13.177 12.337 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -3.489 -11.638 12.399 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -2.522 -13.013 12.155 1.00 3.17 H new ATOM 808 N GLY A 50 0.366 -8.254 14.442 1.00 1.22 N ATOM 809 CA GLY A 50 1.713 -7.845 14.784 1.00 1.53 C ATOM 810 C GLY A 50 2.007 -6.425 14.343 1.00 1.14 C ATOM 811 O GLY A 50 2.608 -5.649 15.087 1.00 1.29 O ATOM 0 H GLY A 50 0.263 -8.651 13.508 1.00 1.22 H new ATOM 0 HA2 GLY A 50 1.853 -7.926 15.862 1.00 1.53 H new ATOM 0 HA3 GLY A 50 2.427 -8.524 14.318 1.00 1.53 H new ATOM 815 N GLY A 51 1.571 -6.082 13.137 1.00 0.77 N ATOM 816 CA GLY A 51 1.790 -4.743 12.617 1.00 0.65 C ATOM 817 C GLY A 51 2.919 -4.679 11.608 1.00 0.56 C ATOM 818 O GLY A 51 3.764 -3.789 11.670 1.00 0.60 O ATOM 0 H GLY A 51 1.068 -6.708 12.508 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.872 -4.385 12.151 1.00 0.65 H new ATOM 0 HA3 GLY A 51 2.011 -4.069 13.445 1.00 0.65 H new ATOM 822 N ARG A 52 2.944 -5.621 10.674 1.00 0.51 N ATOM 823 CA ARG A 52 3.961 -5.622 9.638 1.00 0.53 C ATOM 824 C ARG A 52 3.405 -6.106 8.308 1.00 0.50 C ATOM 825 O ARG A 52 2.321 -6.685 8.249 1.00 0.60 O ATOM 826 CB ARG A 52 5.113 -6.521 10.055 1.00 0.68 C ATOM 827 CG ARG A 52 4.701 -7.971 10.225 1.00 1.04 C ATOM 828 CD ARG A 52 5.874 -8.821 10.651 1.00 1.42 C ATOM 829 NE ARG A 52 6.910 -8.886 9.612 1.00 2.14 N ATOM 830 CZ ARG A 52 8.045 -9.588 9.718 1.00 2.80 C ATOM 831 NH1 ARG A 52 8.310 -10.278 10.821 1.00 2.98 N ATOM 832 NH2 ARG A 52 8.917 -9.597 8.715 1.00 3.72 N ATOM 0 H ARG A 52 2.275 -6.389 10.615 1.00 0.51 H new ATOM 0 HA ARG A 52 4.308 -4.597 9.510 1.00 0.53 H new ATOM 0 HB2 ARG A 52 5.904 -6.459 9.308 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.531 -6.155 10.993 1.00 0.68 H new ATOM 0 HG2 ARG A 52 3.907 -8.042 10.968 1.00 1.04 H new ATOM 0 HG3 ARG A 52 4.295 -8.350 9.287 1.00 1.04 H new ATOM 0 HD2 ARG A 52 6.303 -8.414 11.567 1.00 1.42 H new ATOM 0 HD3 ARG A 52 5.527 -9.828 10.881 1.00 1.42 H new ATOM 0 HE ARG A 52 6.754 -8.361 8.752 1.00 2.14 H new ATOM 0 HH11 ARG A 52 7.646 -10.276 11.596 1.00 2.98 H new ATOM 0 HH12 ARG A 52 9.177 -10.810 10.894 1.00 2.98 H new ATOM 0 HH21 ARG A 52 8.721 -9.069 7.864 1.00 3.72 H new ATOM 0 HH22 ARG A 52 9.782 -10.132 8.796 1.00 3.72 H new ATOM 846 N TRP A 53 4.154 -5.856 7.244 1.00 0.52 N ATOM 847 CA TRP A 53 3.825 -6.374 5.919 1.00 0.53 C ATOM 848 C TRP A 53 4.809 -7.476 5.541 1.00 0.57 C ATOM 849 O TRP A 53 6.022 -7.253 5.567 1.00 0.73 O ATOM 850 CB TRP A 53 3.885 -5.261 4.862 1.00 0.65 C ATOM 851 CG TRP A 53 2.815 -4.212 4.988 1.00 0.55 C ATOM 852 CD1 TRP A 53 2.161 -3.829 6.122 1.00 0.53 C ATOM 853 CD2 TRP A 53 2.286 -3.402 3.929 1.00 0.73 C ATOM 854 NE1 TRP A 53 1.257 -2.838 5.834 1.00 0.68 N ATOM 855 CE2 TRP A 53 1.313 -2.559 4.495 1.00 0.82 C ATOM 856 CE3 TRP A 53 2.539 -3.311 2.556 1.00 0.95 C ATOM 857 CZ2 TRP A 53 0.595 -1.634 3.739 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.827 -2.393 1.807 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.864 -1.567 2.399 1.00 1.28 C ATOM 0 H TRP A 53 5.003 -5.292 7.271 1.00 0.52 H new ATOM 0 HA TRP A 53 2.811 -6.772 5.951 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.859 -4.775 4.921 1.00 0.65 H new ATOM 0 HB3 TRP A 53 3.815 -5.714 3.873 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.330 -4.245 7.104 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.642 -2.383 6.509 1.00 0.68 H new ATOM 0 HE3 TRP A 53 3.277 -3.947 2.090 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.146 -0.994 4.194 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 2.017 -2.312 0.747 1.00 1.20 H new ATOM 0 HH2 TRP A 53 0.322 -0.862 1.785 1.00 1.28 H new ATOM 870 N TYR A 54 4.296 -8.662 5.220 1.00 0.49 N ATOM 871 CA TYR A 54 5.134 -9.767 4.767 1.00 0.58 C ATOM 872 C TYR A 54 4.291 -10.843 4.088 1.00 0.49 C ATOM 873 O TYR A 54 3.104 -11.005 4.390 1.00 0.52 O ATOM 874 CB TYR A 54 5.957 -10.366 5.923 1.00 0.75 C ATOM 875 CG TYR A 54 5.164 -11.081 7.002 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.336 -12.434 7.258 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.206 -10.399 7.739 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.580 -13.079 8.217 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.450 -11.036 8.706 1.00 0.95 C ATOM 880 CZ TYR A 54 3.778 -12.404 9.024 1.00 1.20 C ATOM 881 OH TYR A 54 2.883 -13.027 9.896 1.00 1.66 O ATOM 0 H TYR A 54 3.301 -8.881 5.266 1.00 0.49 H new ATOM 0 HA TYR A 54 5.837 -9.368 4.036 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.678 -11.068 5.504 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.528 -9.564 6.390 1.00 0.75 H new ATOM 0 HD1 TYR A 54 6.073 -12.991 6.698 1.00 0.73 H new ATOM 0 HD2 TYR A 54 4.047 -9.347 7.553 1.00 0.61 H new ATOM 0 HE1 TYR A 54 4.645 -14.153 8.310 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.640 -10.526 9.207 1.00 0.95 H new ATOM 0 HH TYR A 54 2.298 -12.353 10.301 1.00 1.66 H new ATOM 891 N GLU A 55 4.897 -11.564 3.156 1.00 0.52 N ATOM 892 CA GLU A 55 4.203 -12.620 2.450 1.00 0.56 C ATOM 893 C GLU A 55 4.882 -13.947 2.730 1.00 0.62 C ATOM 894 O GLU A 55 6.045 -13.984 3.136 1.00 0.81 O ATOM 895 CB GLU A 55 4.172 -12.357 0.936 1.00 0.73 C ATOM 896 CG GLU A 55 3.777 -10.939 0.555 1.00 0.81 C ATOM 897 CD GLU A 55 4.981 -10.058 0.272 1.00 1.51 C ATOM 898 OE1 GLU A 55 4.944 -9.293 -0.709 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.971 -10.127 1.024 1.00 2.12 O ATOM 0 H GLU A 55 5.869 -11.434 2.874 1.00 0.52 H new ATOM 0 HA GLU A 55 3.173 -12.649 2.805 1.00 0.56 H new ATOM 0 HB2 GLU A 55 5.157 -12.571 0.522 1.00 0.73 H new ATOM 0 HB3 GLU A 55 3.473 -13.053 0.472 1.00 0.73 H new ATOM 0 HG2 GLU A 55 3.136 -10.968 -0.326 1.00 0.81 H new ATOM 0 HG3 GLU A 55 3.190 -10.499 1.361 1.00 0.81 H new ATOM 906 N ILE A 56 4.163 -15.031 2.507 1.00 0.63 N ATOM 907 CA ILE A 56 4.696 -16.359 2.755 1.00 0.68 C ATOM 908 C ILE A 56 5.623 -16.769 1.619 1.00 0.70 C ATOM 909 O ILE A 56 5.168 -17.089 0.517 1.00 0.80 O ATOM 910 CB ILE A 56 3.563 -17.402 2.890 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.475 -16.897 3.848 1.00 0.90 C ATOM 912 CG2 ILE A 56 4.118 -18.737 3.368 1.00 0.92 C ATOM 913 CD1 ILE A 56 2.964 -16.623 5.255 1.00 0.90 C ATOM 0 H ILE A 56 3.206 -15.019 2.154 1.00 0.63 H new ATOM 0 HA ILE A 56 5.251 -16.326 3.693 1.00 0.68 H new ATOM 0 HB ILE A 56 3.114 -17.549 1.908 1.00 0.83 H new ATOM 0 HG12 ILE A 56 2.044 -15.982 3.441 1.00 0.90 H new ATOM 0 HG13 ILE A 56 1.674 -17.635 3.891 1.00 0.90 H new ATOM 0 HG21 ILE A 56 3.305 -19.458 3.457 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.852 -19.104 2.650 1.00 0.92 H new ATOM 0 HG23 ILE A 56 4.595 -18.606 4.339 1.00 0.92 H new ATOM 0 HD11 ILE A 56 2.134 -16.270 5.867 1.00 0.90 H new ATOM 0 HD12 ILE A 56 3.367 -17.540 5.685 1.00 0.90 H new ATOM 0 HD13 ILE A 56 3.743 -15.862 5.227 1.00 0.90 H new ATOM 925 N ASP A 57 6.924 -16.712 1.870 1.00 0.65 N ATOM 926 CA ASP A 57 7.900 -17.113 0.865 1.00 0.72 C ATOM 927 C ASP A 57 8.107 -18.633 0.911 1.00 0.76 C ATOM 928 O ASP A 57 7.328 -19.348 1.541 1.00 0.96 O ATOM 929 CB ASP A 57 9.216 -16.367 1.090 1.00 0.84 C ATOM 930 CG ASP A 57 10.103 -16.359 -0.139 1.00 1.35 C ATOM 931 OD1 ASP A 57 9.933 -15.473 -1.001 1.00 1.71 O ATOM 932 OD2 ASP A 57 10.975 -17.240 -0.244 1.00 1.97 O ATOM 0 H ASP A 57 7.326 -16.395 2.752 1.00 0.65 H new ATOM 0 HA ASP A 57 7.528 -16.853 -0.126 1.00 0.72 H new ATOM 0 HB2 ASP A 57 9.001 -15.340 1.384 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.754 -16.829 1.918 1.00 0.84 H new ATOM 937 N GLU A 58 9.152 -19.130 0.259 1.00 0.87 N ATOM 938 CA GLU A 58 9.341 -20.569 0.122 1.00 1.01 C ATOM 939 C GLU A 58 10.022 -21.178 1.350 1.00 1.04 C ATOM 940 O GLU A 58 9.664 -22.275 1.778 1.00 1.17 O ATOM 941 CB GLU A 58 10.118 -20.892 -1.165 1.00 1.35 C ATOM 942 CG GLU A 58 11.486 -20.241 -1.260 1.00 1.54 C ATOM 943 CD GLU A 58 12.621 -21.211 -1.001 1.00 2.04 C ATOM 944 OE1 GLU A 58 13.790 -20.822 -1.198 1.00 2.43 O ATOM 945 OE2 GLU A 58 12.353 -22.368 -0.615 1.00 2.21 O ATOM 0 H GLU A 58 9.877 -18.562 -0.180 1.00 0.87 H new ATOM 0 HA GLU A 58 8.354 -21.025 0.051 1.00 1.01 H new ATOM 0 HB2 GLU A 58 10.239 -21.973 -1.239 1.00 1.35 H new ATOM 0 HB3 GLU A 58 9.521 -20.579 -2.022 1.00 1.35 H new ATOM 0 HG2 GLU A 58 11.607 -19.805 -2.252 1.00 1.54 H new ATOM 0 HG3 GLU A 58 11.544 -19.422 -0.543 1.00 1.54 H new ATOM 952 N GLN A 59 10.982 -20.467 1.939 1.00 1.10 N ATOM 953 CA GLN A 59 11.679 -20.986 3.117 1.00 1.36 C ATOM 954 C GLN A 59 11.000 -20.524 4.398 1.00 1.39 C ATOM 955 O GLN A 59 11.616 -20.472 5.462 1.00 1.70 O ATOM 956 CB GLN A 59 13.164 -20.584 3.133 1.00 1.60 C ATOM 957 CG GLN A 59 13.437 -19.106 3.390 1.00 1.69 C ATOM 958 CD GLN A 59 13.083 -18.232 2.213 1.00 1.62 C ATOM 959 OE1 GLN A 59 13.882 -18.054 1.295 1.00 2.39 O ATOM 960 NE2 GLN A 59 11.898 -17.651 2.249 1.00 1.40 N ATOM 0 H GLN A 59 11.292 -19.546 1.628 1.00 1.10 H new ATOM 0 HA GLN A 59 11.628 -22.073 3.061 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.673 -21.169 3.899 1.00 1.60 H new ATOM 0 HB3 GLN A 59 13.608 -20.857 2.176 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.867 -18.782 4.261 1.00 1.69 H new ATOM 0 HG3 GLN A 59 14.492 -18.973 3.631 1.00 1.69 H new ATOM 0 HE21 GLN A 59 11.267 -17.828 3.031 1.00 1.40 H new ATOM 0 HE22 GLN A 59 11.614 -17.026 1.495 1.00 1.40 H new ATOM 969 N GLY A 60 9.726 -20.194 4.296 1.00 1.19 N ATOM 970 CA GLY A 60 8.986 -19.821 5.472 1.00 1.39 C ATOM 971 C GLY A 60 8.040 -18.675 5.233 1.00 1.45 C ATOM 972 O GLY A 60 7.089 -18.795 4.469 1.00 2.29 O ATOM 0 H GLY A 60 9.196 -20.178 3.425 1.00 1.19 H new ATOM 0 HA2 GLY A 60 8.421 -20.683 5.828 1.00 1.39 H new ATOM 0 HA3 GLY A 60 9.685 -19.549 6.263 1.00 1.39 H new ATOM 976 N GLU A 61 8.327 -17.549 5.861 1.00 1.11 N ATOM 977 CA GLU A 61 7.371 -16.446 5.932 1.00 1.15 C ATOM 978 C GLU A 61 8.056 -15.095 5.986 1.00 1.26 C ATOM 979 O GLU A 61 7.397 -14.066 6.059 1.00 1.72 O ATOM 980 CB GLU A 61 6.482 -16.586 7.175 1.00 1.33 C ATOM 981 CG GLU A 61 5.699 -17.887 7.254 1.00 1.38 C ATOM 982 CD GLU A 61 4.979 -18.044 8.574 1.00 1.69 C ATOM 983 OE1 GLU A 61 5.620 -18.436 9.573 1.00 1.77 O ATOM 984 OE2 GLU A 61 3.762 -17.777 8.620 1.00 2.31 O ATOM 0 H GLU A 61 9.214 -17.369 6.331 1.00 1.11 H new ATOM 0 HA GLU A 61 6.771 -16.498 5.024 1.00 1.15 H new ATOM 0 HB2 GLU A 61 7.107 -16.500 8.064 1.00 1.33 H new ATOM 0 HB3 GLU A 61 5.779 -15.753 7.198 1.00 1.33 H new ATOM 0 HG2 GLU A 61 4.974 -17.922 6.441 1.00 1.38 H new ATOM 0 HG3 GLU A 61 6.379 -18.727 7.111 1.00 1.38 H new ATOM 991 N GLU A 62 9.366 -15.074 5.922 1.00 1.06 N ATOM 992 CA GLU A 62 10.074 -13.851 6.220 1.00 1.20 C ATOM 993 C GLU A 62 10.330 -13.061 4.957 1.00 1.00 C ATOM 994 O GLU A 62 11.321 -13.261 4.253 1.00 1.08 O ATOM 995 CB GLU A 62 11.354 -14.139 6.978 1.00 1.54 C ATOM 996 CG GLU A 62 11.930 -12.891 7.633 1.00 1.98 C ATOM 997 CD GLU A 62 13.037 -13.183 8.619 1.00 2.16 C ATOM 998 OE1 GLU A 62 12.736 -13.378 9.817 1.00 2.61 O ATOM 999 OE2 GLU A 62 14.212 -13.241 8.195 1.00 2.56 O ATOM 0 H GLU A 62 9.953 -15.870 5.672 1.00 1.06 H new ATOM 0 HA GLU A 62 9.448 -13.237 6.867 1.00 1.20 H new ATOM 0 HB2 GLU A 62 11.160 -14.891 7.742 1.00 1.54 H new ATOM 0 HB3 GLU A 62 12.091 -14.562 6.295 1.00 1.54 H new ATOM 0 HG2 GLU A 62 12.311 -12.227 6.858 1.00 1.98 H new ATOM 0 HG3 GLU A 62 11.130 -12.357 8.145 1.00 1.98 H new ATOM 1006 N HIS A 63 9.386 -12.196 4.657 1.00 0.90 N ATOM 1007 CA HIS A 63 9.437 -11.385 3.465 1.00 0.85 C ATOM 1008 C HIS A 63 9.407 -9.903 3.811 1.00 0.92 C ATOM 1009 O HIS A 63 8.332 -9.301 3.856 1.00 1.22 O ATOM 1010 CB HIS A 63 8.245 -11.734 2.595 1.00 0.96 C ATOM 1011 CG HIS A 63 8.604 -12.050 1.190 1.00 1.85 C ATOM 1012 ND1 HIS A 63 8.160 -11.329 0.111 1.00 2.82 N ATOM 1013 CD2 HIS A 63 9.365 -13.035 0.696 1.00 2.22 C ATOM 1014 CE1 HIS A 63 8.642 -11.861 -0.994 1.00 3.72 C ATOM 1015 NE2 HIS A 63 9.381 -12.902 -0.666 1.00 3.37 N ATOM 0 H HIS A 63 8.561 -12.037 5.235 1.00 0.90 H new ATOM 0 HA HIS A 63 10.368 -11.586 2.934 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.727 -12.589 3.030 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.544 -10.899 2.603 1.00 0.96 H new ATOM 0 HD1 HIS A 63 7.553 -10.511 0.157 1.00 2.82 H new ATOM 0 HD2 HIS A 63 9.874 -13.796 1.269 1.00 2.22 H new ATOM 0 HE1 HIS A 63 8.462 -11.505 -1.998 1.00 3.72 H new ATOM 1024 N THR A 64 10.586 -9.322 4.050 1.00 0.97 N ATOM 1025 CA THR A 64 10.729 -7.899 4.406 1.00 1.01 C ATOM 1026 C THR A 64 9.872 -7.501 5.618 1.00 1.50 C ATOM 1027 O THR A 64 9.166 -8.324 6.210 1.00 2.27 O ATOM 1028 CB THR A 64 10.435 -6.955 3.211 1.00 1.03 C ATOM 1029 OG1 THR A 64 9.450 -7.513 2.335 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.699 -6.653 2.424 1.00 1.44 C ATOM 0 H THR A 64 11.473 -9.823 4.003 1.00 0.97 H new ATOM 0 HA THR A 64 11.776 -7.778 4.683 1.00 1.01 H new ATOM 0 HB THR A 64 10.048 -6.026 3.629 1.00 1.03 H new ATOM 0 HG1 THR A 64 8.752 -7.952 2.865 1.00 1.77 H new ATOM 0 HG21 THR A 64 11.460 -5.989 1.593 1.00 1.44 H new ATOM 0 HG22 THR A 64 12.427 -6.171 3.076 1.00 1.44 H new ATOM 0 HG23 THR A 64 12.118 -7.582 2.037 1.00 1.44 H new ATOM 1038 N PHE A 65 9.962 -6.240 6.008 1.00 1.66 N ATOM 1039 CA PHE A 65 9.196 -5.740 7.134 1.00 2.32 C ATOM 1040 C PHE A 65 8.539 -4.411 6.782 1.00 1.96 C ATOM 1041 O PHE A 65 9.186 -3.368 6.791 1.00 2.43 O ATOM 1042 CB PHE A 65 10.107 -5.580 8.361 1.00 3.26 C ATOM 1043 CG PHE A 65 9.382 -5.207 9.630 1.00 4.27 C ATOM 1044 CD1 PHE A 65 8.895 -6.187 10.480 1.00 4.99 C ATOM 1045 CD2 PHE A 65 9.191 -3.876 9.973 1.00 4.69 C ATOM 1046 CE1 PHE A 65 8.231 -5.848 11.646 1.00 6.10 C ATOM 1047 CE2 PHE A 65 8.528 -3.532 11.136 1.00 5.77 C ATOM 1048 CZ PHE A 65 8.046 -4.519 11.972 1.00 6.48 C ATOM 0 H PHE A 65 10.559 -5.545 5.560 1.00 1.66 H new ATOM 0 HA PHE A 65 8.411 -6.459 7.371 1.00 2.32 H new ATOM 0 HB2 PHE A 65 10.643 -6.515 8.525 1.00 3.26 H new ATOM 0 HB3 PHE A 65 10.855 -4.817 8.146 1.00 3.26 H new ATOM 0 HD1 PHE A 65 9.035 -7.228 10.230 1.00 4.99 H new ATOM 0 HD2 PHE A 65 9.565 -3.099 9.323 1.00 4.69 H new ATOM 0 HE1 PHE A 65 7.858 -6.622 12.300 1.00 6.10 H new ATOM 0 HE2 PHE A 65 8.387 -2.492 11.390 1.00 5.77 H new ATOM 0 HZ PHE A 65 7.525 -4.252 12.880 1.00 6.48 H new ATOM 1058 N GLY A 66 7.260 -4.460 6.430 1.00 1.23 N ATOM 1059 CA GLY A 66 6.515 -3.238 6.215 1.00 0.93 C ATOM 1060 C GLY A 66 6.302 -2.541 7.529 1.00 0.80 C ATOM 1061 O GLY A 66 5.697 -3.113 8.438 1.00 0.96 O ATOM 0 H GLY A 66 6.729 -5.320 6.291 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.056 -2.586 5.529 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.555 -3.462 5.751 1.00 0.93 H new ATOM 1065 N LEU A 67 6.806 -1.326 7.652 1.00 0.64 N ATOM 1066 CA LEU A 67 6.840 -0.677 8.948 1.00 0.65 C ATOM 1067 C LEU A 67 5.488 -0.091 9.287 1.00 0.51 C ATOM 1068 O LEU A 67 5.248 1.084 9.033 1.00 0.54 O ATOM 1069 CB LEU A 67 7.865 0.462 8.983 1.00 0.76 C ATOM 1070 CG LEU A 67 9.290 0.135 8.532 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.449 0.349 7.031 1.00 1.17 C ATOM 1072 CD2 LEU A 67 10.279 0.992 9.300 1.00 1.14 C ATOM 0 H LEU A 67 7.191 -0.777 6.883 1.00 0.64 H new ATOM 0 HA LEU A 67 7.119 -1.442 9.673 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.491 1.273 8.358 1.00 0.76 H new ATOM 0 HB3 LEU A 67 7.913 0.842 10.003 1.00 0.76 H new ATOM 0 HG LEU A 67 9.490 -0.916 8.742 1.00 0.64 H new ATOM 0 HD11 LEU A 67 10.471 0.110 6.736 1.00 1.17 H new ATOM 0 HD12 LEU A 67 8.755 -0.299 6.496 1.00 1.17 H new ATOM 0 HD13 LEU A 67 9.235 1.390 6.787 1.00 1.17 H new ATOM 0 HD21 LEU A 67 11.293 0.756 8.976 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.073 2.045 9.109 1.00 1.14 H new ATOM 0 HD23 LEU A 67 10.183 0.791 10.367 1.00 1.14 H new ATOM 1084 N ILE A 68 4.598 -0.869 9.869 1.00 0.43 N ATOM 1085 CA ILE A 68 3.335 -0.300 10.264 1.00 0.38 C ATOM 1086 C ILE A 68 3.526 0.518 11.528 1.00 0.45 C ATOM 1087 O ILE A 68 3.869 -0.001 12.588 1.00 0.61 O ATOM 1088 CB ILE A 68 2.225 -1.343 10.463 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.932 -2.072 9.147 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.974 -0.655 10.975 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.698 -2.953 9.194 1.00 0.44 C ATOM 0 H ILE A 68 4.721 -1.861 10.072 1.00 0.43 H new ATOM 0 HA ILE A 68 3.002 0.337 9.445 1.00 0.38 H new ATOM 0 HB ILE A 68 2.555 -2.081 11.194 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.810 -1.334 8.354 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.794 -2.685 8.883 1.00 0.38 H new ATOM 0 HG21 ILE A 68 0.185 -1.393 11.117 1.00 0.46 H new ATOM 0 HG22 ILE A 68 1.190 -0.167 11.926 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.647 0.091 10.251 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.558 -3.434 8.226 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.824 -3.715 9.963 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.175 -2.344 9.426 1.00 0.44 H new ATOM 1103 N ARG A 69 3.316 1.808 11.386 1.00 0.43 N ATOM 1104 CA ARG A 69 3.523 2.758 12.454 1.00 0.55 C ATOM 1105 C ARG A 69 2.200 3.019 13.162 1.00 0.51 C ATOM 1106 O ARG A 69 2.173 3.388 14.335 1.00 0.67 O ATOM 1107 CB ARG A 69 4.067 4.066 11.869 1.00 0.70 C ATOM 1108 CG ARG A 69 5.125 3.870 10.780 1.00 1.19 C ATOM 1109 CD ARG A 69 6.489 3.545 11.356 1.00 0.74 C ATOM 1110 NE ARG A 69 7.033 4.673 12.109 1.00 1.08 N ATOM 1111 CZ ARG A 69 7.961 4.579 13.058 1.00 1.35 C ATOM 1112 NH1 ARG A 69 8.400 3.390 13.455 1.00 2.00 N ATOM 1113 NH2 ARG A 69 8.422 5.684 13.634 1.00 1.83 N ATOM 0 H ARG A 69 2.993 2.231 10.516 1.00 0.43 H new ATOM 0 HA ARG A 69 4.240 2.357 13.170 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.237 4.640 11.456 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.496 4.661 12.675 1.00 0.70 H new ATOM 0 HG2 ARG A 69 4.813 3.066 10.114 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.194 4.775 10.176 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.412 2.674 12.007 1.00 0.74 H new ATOM 0 HD3 ARG A 69 7.173 3.281 10.549 1.00 0.74 H new ATOM 0 HE ARG A 69 6.674 5.603 11.891 1.00 1.08 H new ATOM 0 HH11 ARG A 69 8.026 2.541 13.032 1.00 2.00 H new ATOM 0 HH12 ARG A 69 9.112 3.326 14.183 1.00 2.00 H new ATOM 0 HH21 ARG A 69 8.065 6.595 13.348 1.00 1.83 H new ATOM 0 HH22 ARG A 69 9.133 5.621 14.362 1.00 1.83 H new ATOM 1127 N LYS A 70 1.105 2.815 12.435 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.227 3.106 12.948 1.00 0.41 C ATOM 1129 C LYS A 70 -1.308 2.376 12.149 1.00 0.35 C ATOM 1130 O LYS A 70 -1.479 2.623 10.954 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.481 4.618 12.900 1.00 0.53 C ATOM 1132 CG LYS A 70 -1.910 5.021 13.236 1.00 0.62 C ATOM 1133 CD LYS A 70 -2.132 6.506 12.997 1.00 0.99 C ATOM 1134 CE LYS A 70 -3.570 6.911 13.270 1.00 1.08 C ATOM 1135 NZ LYS A 70 -3.794 8.363 13.039 1.00 1.53 N ATOM 0 H LYS A 70 1.116 2.447 11.484 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.275 2.755 13.979 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.197 5.111 13.596 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.237 4.985 11.903 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.606 4.444 12.628 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.123 4.782 14.278 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.464 7.081 13.638 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -1.874 6.751 11.967 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -4.237 6.335 12.628 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -3.827 6.664 14.300 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -4.788 8.597 13.237 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -3.177 8.914 13.669 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -3.574 8.595 12.049 1.00 1.53 H new ATOM 1149 N VAL A 71 -2.016 1.463 12.805 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.226 0.872 12.237 1.00 0.36 C ATOM 1151 C VAL A 71 -4.432 1.434 12.975 1.00 0.37 C ATOM 1152 O VAL A 71 -4.720 1.034 14.105 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.261 -0.677 12.335 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.593 -1.218 11.833 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -2.124 -1.308 11.551 1.00 0.77 C ATOM 0 H VAL A 71 -1.774 1.114 13.732 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.240 1.125 11.177 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.141 -0.939 13.386 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.597 -2.305 11.910 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.403 -0.809 12.437 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.734 -0.928 10.792 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -2.178 -2.393 11.641 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -2.206 -1.026 10.501 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -1.171 -0.958 11.947 1.00 0.77 H new ATOM 1165 N ASP A 72 -5.118 2.382 12.363 1.00 0.33 N ATOM 1166 CA ASP A 72 -6.245 3.013 13.022 1.00 0.36 C ATOM 1167 C ASP A 72 -7.537 2.658 12.317 1.00 0.35 C ATOM 1168 O ASP A 72 -8.136 3.515 11.658 1.00 0.40 O ATOM 1169 CB ASP A 72 -6.084 4.530 13.066 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.752 5.132 14.286 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -7.030 6.351 14.274 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -7.018 4.392 15.254 1.00 1.42 O ATOM 0 H ASP A 72 -4.918 2.728 11.424 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.279 2.640 14.046 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -5.024 4.783 13.070 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.512 4.967 12.164 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.924 1.375 12.437 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.176 0.835 11.881 1.00 0.39 C ATOM 1179 C GLU A 73 -9.395 1.295 10.424 1.00 0.38 C ATOM 1180 O GLU A 73 -8.458 1.772 9.780 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.358 1.207 12.805 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.636 2.697 12.931 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.725 2.995 13.933 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.402 3.207 15.121 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.910 3.012 13.541 1.00 0.92 O ATOM 0 H GLU A 73 -7.368 0.676 12.929 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.108 -0.252 11.843 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.257 0.716 12.434 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -10.162 0.805 13.799 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.722 3.211 13.228 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.923 3.094 11.957 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.588 1.083 9.831 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.929 1.730 8.564 1.00 0.32 C ATOM 1194 C PRO A 74 -11.009 3.250 8.717 1.00 0.31 C ATOM 1195 O PRO A 74 -12.095 3.814 8.848 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.297 1.140 8.198 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.416 -0.105 9.011 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.648 0.157 10.272 1.00 0.38 C ATOM 0 HA PRO A 74 -10.177 1.554 7.795 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.101 1.839 8.428 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.359 0.922 7.132 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.460 -0.332 9.229 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.008 -0.962 8.476 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.278 0.602 11.042 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.234 -0.761 10.690 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.844 3.889 8.744 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.736 5.338 8.880 1.00 0.31 C ATOM 1208 C ASP A 75 -8.352 5.814 8.439 1.00 0.30 C ATOM 1209 O ASP A 75 -8.222 6.502 7.424 1.00 0.33 O ATOM 1210 CB ASP A 75 -10.005 5.769 10.327 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.806 7.259 10.546 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.703 7.663 10.970 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.754 8.038 10.302 1.00 0.50 O ATOM 0 H ASP A 75 -8.944 3.415 8.672 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.487 5.796 8.237 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -11.026 5.500 10.597 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -9.343 5.217 10.994 1.00 0.34 H new ATOM 1218 N THR A 76 -7.314 5.432 9.184 1.00 0.28 N ATOM 1219 CA THR A 76 -5.957 5.870 8.868 1.00 0.29 C ATOM 1220 C THR A 76 -4.925 4.760 9.077 1.00 0.29 C ATOM 1221 O THR A 76 -5.019 3.972 10.019 1.00 0.35 O ATOM 1222 CB THR A 76 -5.555 7.101 9.708 1.00 0.32 C ATOM 1223 OG1 THR A 76 -6.099 7.003 11.029 1.00 0.34 O ATOM 1224 CG2 THR A 76 -6.026 8.389 9.049 1.00 0.35 C ATOM 0 H THR A 76 -7.386 4.827 10.002 1.00 0.28 H new ATOM 0 HA THR A 76 -5.964 6.138 7.812 1.00 0.29 H new ATOM 0 HB THR A 76 -4.467 7.123 9.771 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.985 7.422 11.050 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.730 9.241 9.662 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.575 8.478 8.061 1.00 0.35 H new ATOM 0 HG23 THR A 76 -7.112 8.372 8.952 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.946 4.698 8.180 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.849 3.740 8.296 1.00 0.31 C ATOM 1234 C LEU A 77 -1.527 4.435 8.002 1.00 0.33 C ATOM 1235 O LEU A 77 -1.348 5.009 6.933 1.00 0.41 O ATOM 1236 CB LEU A 77 -3.000 2.559 7.321 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.352 1.846 7.306 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.342 2.592 6.434 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -4.184 0.421 6.816 1.00 0.69 C ATOM 0 H LEU A 77 -3.889 5.303 7.360 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.871 3.352 9.315 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.796 2.922 6.314 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.231 1.824 7.557 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.743 1.824 8.323 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.297 2.067 6.437 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.481 3.601 6.822 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.961 2.645 5.414 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -5.153 -0.078 6.809 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.773 0.429 5.806 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.505 -0.114 7.480 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.607 4.394 8.947 1.00 0.32 N ATOM 1252 CA VAL A 78 0.720 4.959 8.736 1.00 0.36 C ATOM 1253 C VAL A 78 1.741 3.835 8.654 1.00 0.34 C ATOM 1254 O VAL A 78 2.023 3.188 9.650 1.00 0.36 O ATOM 1255 CB VAL A 78 1.120 5.933 9.868 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.460 6.590 9.570 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.044 6.986 10.083 1.00 0.67 C ATOM 0 H VAL A 78 -0.750 3.977 9.867 1.00 0.32 H new ATOM 0 HA VAL A 78 0.698 5.522 7.803 1.00 0.36 H new ATOM 0 HB VAL A 78 1.220 5.356 10.787 1.00 0.43 H new ATOM 0 HG11 VAL A 78 2.720 7.271 10.381 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.229 5.823 9.480 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.392 7.148 8.636 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.349 7.659 10.884 1.00 0.67 H new ATOM 0 HG22 VAL A 78 -0.096 7.556 9.164 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.893 6.499 10.355 1.00 0.67 H new ATOM 1267 N ILE A 79 2.242 3.559 7.463 1.00 0.35 N ATOM 1268 CA ILE A 79 3.209 2.483 7.278 1.00 0.39 C ATOM 1269 C ILE A 79 4.434 2.938 6.469 1.00 0.40 C ATOM 1270 O ILE A 79 4.306 3.633 5.459 1.00 0.43 O ATOM 1271 CB ILE A 79 2.522 1.224 6.668 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.535 0.231 6.071 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.464 1.619 5.646 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.742 0.366 4.573 1.00 0.67 C ATOM 0 H ILE A 79 1.998 4.061 6.609 1.00 0.35 H new ATOM 0 HA ILE A 79 3.590 2.202 8.260 1.00 0.39 H new ATOM 0 HB ILE A 79 2.025 0.706 7.488 1.00 0.48 H new ATOM 0 HG12 ILE A 79 4.494 0.366 6.571 1.00 0.75 H new ATOM 0 HG13 ILE A 79 3.201 -0.784 6.289 1.00 0.75 H new ATOM 0 HG21 ILE A 79 1.001 0.721 5.236 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.703 2.232 6.129 1.00 0.52 H new ATOM 0 HG23 ILE A 79 1.930 2.187 4.841 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.471 -0.372 4.238 1.00 0.67 H new ATOM 0 HD12 ILE A 79 2.795 0.200 4.058 1.00 0.67 H new ATOM 0 HD13 ILE A 79 4.108 1.367 4.345 1.00 0.67 H new ATOM 1286 N GLY A 80 5.622 2.580 6.958 1.00 0.42 N ATOM 1287 CA GLY A 80 6.857 2.872 6.250 1.00 0.46 C ATOM 1288 C GLY A 80 7.138 1.879 5.133 1.00 0.46 C ATOM 1289 O GLY A 80 6.693 0.729 5.191 1.00 0.50 O ATOM 0 H GLY A 80 5.749 2.088 7.842 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.803 3.877 5.833 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.687 2.864 6.956 1.00 0.46 H new ATOM 1293 N TRP A 81 7.940 2.310 4.157 1.00 0.50 N ATOM 1294 CA TRP A 81 8.120 1.585 2.902 1.00 0.51 C ATOM 1295 C TRP A 81 8.830 0.246 3.101 1.00 0.53 C ATOM 1296 O TRP A 81 9.731 0.119 3.927 1.00 0.81 O ATOM 1297 CB TRP A 81 8.903 2.454 1.905 1.00 0.74 C ATOM 1298 CG TRP A 81 8.937 1.895 0.516 1.00 0.80 C ATOM 1299 CD1 TRP A 81 10.018 1.390 -0.150 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.826 1.782 -0.375 1.00 1.40 C ATOM 1301 NE1 TRP A 81 9.644 0.973 -1.405 1.00 0.88 N ATOM 1302 CE2 TRP A 81 8.301 1.205 -1.566 1.00 1.44 C ATOM 1303 CE3 TRP A 81 6.473 2.117 -0.278 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 7.466 0.954 -2.651 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 5.647 1.868 -1.354 1.00 2.78 C ATOM 1306 CH2 TRP A 81 6.145 1.292 -2.526 1.00 2.79 C ATOM 0 H TRP A 81 8.482 3.172 4.217 1.00 0.50 H new ATOM 0 HA TRP A 81 7.128 1.368 2.505 1.00 0.51 H new ATOM 0 HB2 TRP A 81 8.458 3.449 1.876 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.925 2.572 2.265 1.00 0.74 H new ATOM 0 HD1 TRP A 81 11.019 1.328 0.251 1.00 0.74 H new ATOM 0 HE1 TRP A 81 10.263 0.559 -2.102 1.00 0.88 H new ATOM 0 HE3 TRP A 81 6.081 2.563 0.624 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 7.846 0.509 -3.559 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 4.599 2.122 -1.290 1.00 2.78 H new ATOM 0 HH2 TRP A 81 5.473 1.109 -3.351 1.00 2.79 H new ATOM 1317 N ARG A 82 8.412 -0.732 2.310 1.00 0.54 N ATOM 1318 CA ARG A 82 8.943 -2.086 2.358 1.00 0.74 C ATOM 1319 C ARG A 82 9.176 -2.598 0.938 1.00 0.81 C ATOM 1320 O ARG A 82 9.887 -3.579 0.729 1.00 1.47 O ATOM 1321 CB ARG A 82 7.958 -3.012 3.069 1.00 1.06 C ATOM 1322 CG ARG A 82 8.433 -4.451 3.161 1.00 1.64 C ATOM 1323 CD ARG A 82 7.270 -5.418 3.282 1.00 2.68 C ATOM 1324 NE ARG A 82 6.547 -5.567 2.020 1.00 3.63 N ATOM 1325 CZ ARG A 82 6.149 -6.743 1.533 1.00 4.53 C ATOM 1326 NH1 ARG A 82 6.367 -7.851 2.224 1.00 4.80 N ATOM 1327 NH2 ARG A 82 5.525 -6.808 0.362 1.00 5.46 N ATOM 0 H ARG A 82 7.684 -0.605 1.607 1.00 0.54 H new ATOM 0 HA ARG A 82 9.886 -2.074 2.905 1.00 0.74 H new ATOM 0 HB2 ARG A 82 7.778 -2.633 4.075 1.00 1.06 H new ATOM 0 HB3 ARG A 82 7.004 -2.986 2.543 1.00 1.06 H new ATOM 0 HG2 ARG A 82 9.021 -4.698 2.277 1.00 1.64 H new ATOM 0 HG3 ARG A 82 9.091 -4.563 4.023 1.00 1.64 H new ATOM 0 HD2 ARG A 82 7.640 -6.391 3.605 1.00 2.68 H new ATOM 0 HD3 ARG A 82 6.585 -5.066 4.053 1.00 2.68 H new ATOM 0 HE ARG A 82 6.336 -4.726 1.483 1.00 3.63 H new ATOM 0 HH11 ARG A 82 6.839 -7.804 3.127 1.00 4.80 H new ATOM 0 HH12 ARG A 82 6.063 -8.751 1.853 1.00 4.80 H new ATOM 0 HH21 ARG A 82 5.348 -5.956 -0.170 1.00 5.46 H new ATOM 0 HH22 ARG A 82 5.223 -7.710 -0.006 1.00 5.46 H new ATOM 1341 N LEU A 83 8.529 -1.929 -0.024 1.00 0.79 N ATOM 1342 CA LEU A 83 8.663 -2.239 -1.446 1.00 0.86 C ATOM 1343 C LEU A 83 7.795 -3.445 -1.839 1.00 0.81 C ATOM 1344 O LEU A 83 7.335 -4.212 -0.986 1.00 1.21 O ATOM 1345 CB LEU A 83 10.144 -2.433 -1.812 1.00 1.23 C ATOM 1346 CG LEU A 83 10.454 -2.634 -3.291 1.00 1.13 C ATOM 1347 CD1 LEU A 83 11.736 -1.909 -3.654 1.00 1.55 C ATOM 1348 CD2 LEU A 83 10.578 -4.116 -3.598 1.00 1.28 C ATOM 0 H LEU A 83 7.895 -1.153 0.167 1.00 0.79 H new ATOM 0 HA LEU A 83 8.292 -1.394 -2.026 1.00 0.86 H new ATOM 0 HB2 LEU A 83 10.700 -1.563 -1.461 1.00 1.23 H new ATOM 0 HB3 LEU A 83 10.522 -3.296 -1.263 1.00 1.23 H new ATOM 0 HG LEU A 83 9.639 -2.222 -3.886 1.00 1.13 H new ATOM 0 HD11 LEU A 83 11.951 -2.057 -4.712 1.00 1.55 H new ATOM 0 HD12 LEU A 83 11.621 -0.844 -3.453 1.00 1.55 H new ATOM 0 HD13 LEU A 83 12.559 -2.304 -3.058 1.00 1.55 H new ATOM 0 HD21 LEU A 83 10.800 -4.251 -4.657 1.00 1.28 H new ATOM 0 HD22 LEU A 83 11.383 -4.545 -3.001 1.00 1.28 H new ATOM 0 HD23 LEU A 83 9.641 -4.617 -3.357 1.00 1.28 H new ATOM 1360 N ASN A 84 7.551 -3.583 -3.139 1.00 0.76 N ATOM 1361 CA ASN A 84 6.650 -4.597 -3.662 1.00 1.00 C ATOM 1362 C ASN A 84 7.395 -5.892 -3.935 1.00 1.25 C ATOM 1363 O ASN A 84 8.053 -6.022 -4.967 1.00 1.93 O ATOM 1364 CB ASN A 84 6.002 -4.150 -4.989 1.00 1.26 C ATOM 1365 CG ASN A 84 5.364 -2.769 -4.959 1.00 1.08 C ATOM 1366 OD1 ASN A 84 5.799 -1.878 -4.234 1.00 1.81 O ATOM 1367 ND2 ASN A 84 4.340 -2.572 -5.781 1.00 0.94 N ATOM 0 H ASN A 84 7.974 -2.994 -3.857 1.00 0.76 H new ATOM 0 HA ASN A 84 5.881 -4.747 -2.904 1.00 1.00 H new ATOM 0 HB2 ASN A 84 6.762 -4.166 -5.771 1.00 1.26 H new ATOM 0 HB3 ASN A 84 5.242 -4.879 -5.269 1.00 1.26 H new ATOM 0 HD21 ASN A 84 3.889 -1.658 -5.824 1.00 0.94 H new ATOM 0 HD22 ASN A 84 4.004 -3.335 -6.369 1.00 0.94 H new ATOM 1374 N GLY A 85 7.333 -6.830 -3.010 1.00 1.69 N ATOM 1375 CA GLY A 85 7.747 -8.173 -3.338 1.00 2.21 C ATOM 1376 C GLY A 85 9.112 -8.570 -2.812 1.00 1.96 C ATOM 1377 O GLY A 85 9.485 -9.733 -2.933 1.00 2.40 O ATOM 0 H GLY A 85 7.009 -6.691 -2.053 1.00 1.69 H new ATOM 0 HA2 GLY A 85 7.007 -8.871 -2.947 1.00 2.21 H new ATOM 0 HA3 GLY A 85 7.746 -8.282 -4.422 1.00 2.21 H new ATOM 1381 N PHE A 86 9.879 -7.611 -2.277 1.00 1.79 N ATOM 1382 CA PHE A 86 11.181 -7.908 -1.645 1.00 2.29 C ATOM 1383 C PHE A 86 12.265 -8.254 -2.683 1.00 2.14 C ATOM 1384 O PHE A 86 13.460 -8.170 -2.399 1.00 2.77 O ATOM 1385 CB PHE A 86 11.017 -9.040 -0.610 1.00 3.16 C ATOM 1386 CG PHE A 86 12.296 -9.690 -0.164 1.00 3.79 C ATOM 1387 CD1 PHE A 86 13.188 -9.018 0.652 1.00 4.45 C ATOM 1388 CD2 PHE A 86 12.597 -10.983 -0.558 1.00 4.03 C ATOM 1389 CE1 PHE A 86 14.356 -9.622 1.068 1.00 5.26 C ATOM 1390 CE2 PHE A 86 13.765 -11.592 -0.147 1.00 4.80 C ATOM 1391 CZ PHE A 86 14.647 -10.910 0.668 1.00 5.38 C ATOM 0 H PHE A 86 9.625 -6.623 -2.267 1.00 1.79 H new ATOM 0 HA PHE A 86 11.519 -7.007 -1.133 1.00 2.29 H new ATOM 0 HB2 PHE A 86 10.508 -8.638 0.266 1.00 3.16 H new ATOM 0 HB3 PHE A 86 10.367 -9.806 -1.033 1.00 3.16 H new ATOM 0 HD1 PHE A 86 12.967 -8.009 0.967 1.00 4.45 H new ATOM 0 HD2 PHE A 86 11.910 -11.521 -1.194 1.00 4.03 H new ATOM 0 HE1 PHE A 86 15.043 -9.087 1.707 1.00 5.26 H new ATOM 0 HE2 PHE A 86 13.989 -12.600 -0.462 1.00 4.80 H new ATOM 0 HZ PHE A 86 15.562 -11.384 0.991 1.00 5.38 H new ATOM 1401 N GLY A 87 11.843 -8.626 -3.890 1.00 1.90 N ATOM 1402 CA GLY A 87 12.781 -8.923 -4.962 1.00 2.08 C ATOM 1403 C GLY A 87 13.597 -7.711 -5.369 1.00 1.87 C ATOM 1404 O GLY A 87 14.631 -7.836 -6.027 1.00 2.30 O ATOM 0 H GLY A 87 10.861 -8.728 -4.146 1.00 1.90 H new ATOM 0 HA2 GLY A 87 13.453 -9.719 -4.643 1.00 2.08 H new ATOM 0 HA3 GLY A 87 12.233 -9.296 -5.827 1.00 2.08 H new ATOM 1408 N ARG A 88 13.115 -6.535 -4.992 1.00 1.33 N ATOM 1409 CA ARG A 88 13.829 -5.297 -5.215 1.00 1.18 C ATOM 1410 C ARG A 88 14.353 -4.746 -3.896 1.00 1.09 C ATOM 1411 O ARG A 88 14.028 -5.263 -2.829 1.00 1.21 O ATOM 1412 CB ARG A 88 12.922 -4.280 -5.889 1.00 0.98 C ATOM 1413 CG ARG A 88 12.814 -4.464 -7.389 1.00 1.64 C ATOM 1414 CD ARG A 88 12.008 -3.345 -8.005 1.00 2.32 C ATOM 1415 NE ARG A 88 10.571 -3.487 -7.762 1.00 3.00 N ATOM 1416 CZ ARG A 88 9.832 -2.596 -7.104 1.00 3.96 C ATOM 1417 NH1 ARG A 88 10.403 -1.523 -6.566 1.00 4.44 N ATOM 1418 NH2 ARG A 88 8.520 -2.776 -6.991 1.00 4.77 N ATOM 0 H ARG A 88 12.217 -6.418 -4.523 1.00 1.33 H new ATOM 0 HA ARG A 88 14.677 -5.496 -5.871 1.00 1.18 H new ATOM 0 HB2 ARG A 88 11.926 -4.347 -5.451 1.00 0.98 H new ATOM 0 HB3 ARG A 88 13.296 -3.278 -5.680 1.00 0.98 H new ATOM 0 HG2 ARG A 88 13.810 -4.488 -7.831 1.00 1.64 H new ATOM 0 HG3 ARG A 88 12.344 -5.422 -7.610 1.00 1.64 H new ATOM 0 HD2 ARG A 88 12.349 -2.392 -7.601 1.00 2.32 H new ATOM 0 HD3 ARG A 88 12.190 -3.319 -9.079 1.00 2.32 H new ATOM 0 HE ARG A 88 10.106 -4.322 -8.120 1.00 3.00 H new ATOM 0 HH11 ARG A 88 11.409 -1.381 -6.657 1.00 4.44 H new ATOM 0 HH12 ARG A 88 9.835 -0.842 -6.062 1.00 4.44 H new ATOM 0 HH21 ARG A 88 8.080 -3.596 -7.408 1.00 4.77 H new ATOM 0 HH22 ARG A 88 7.953 -2.094 -6.487 1.00 4.77 H new ATOM 1432 N ILE A 89 15.137 -3.684 -3.976 1.00 1.08 N ATOM 1433 CA ILE A 89 15.842 -3.162 -2.810 1.00 1.08 C ATOM 1434 C ILE A 89 14.917 -2.340 -1.912 1.00 1.04 C ATOM 1435 O ILE A 89 14.393 -1.295 -2.310 1.00 1.15 O ATOM 1436 CB ILE A 89 17.098 -2.348 -3.240 1.00 1.29 C ATOM 1437 CG1 ILE A 89 17.868 -1.788 -2.027 1.00 1.86 C ATOM 1438 CG2 ILE A 89 16.729 -1.233 -4.212 1.00 1.11 C ATOM 1439 CD1 ILE A 89 17.364 -0.454 -1.501 1.00 1.70 C ATOM 0 H ILE A 89 15.304 -3.163 -4.837 1.00 1.08 H new ATOM 0 HA ILE A 89 16.183 -4.012 -2.219 1.00 1.08 H new ATOM 0 HB ILE A 89 17.763 -3.041 -3.755 1.00 1.29 H new ATOM 0 HG12 ILE A 89 17.824 -2.519 -1.220 1.00 1.86 H new ATOM 0 HG13 ILE A 89 18.917 -1.679 -2.301 1.00 1.86 H new ATOM 0 HG21 ILE A 89 17.627 -0.683 -4.493 1.00 1.11 H new ATOM 0 HG22 ILE A 89 16.273 -1.664 -5.104 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.022 -0.554 -3.735 1.00 1.11 H new ATOM 0 HD11 ILE A 89 17.970 -0.146 -0.649 1.00 1.70 H new ATOM 0 HD12 ILE A 89 17.435 0.297 -2.287 1.00 1.70 H new ATOM 0 HD13 ILE A 89 16.325 -0.555 -1.189 1.00 1.70 H new ATOM 1451 N ASP A 90 14.707 -2.836 -0.699 1.00 1.05 N ATOM 1452 CA ASP A 90 13.919 -2.127 0.298 1.00 1.15 C ATOM 1453 C ASP A 90 14.830 -1.326 1.216 1.00 1.01 C ATOM 1454 O ASP A 90 15.913 -1.783 1.591 1.00 1.14 O ATOM 1455 CB ASP A 90 13.042 -3.098 1.104 1.00 1.54 C ATOM 1456 CG ASP A 90 13.018 -2.807 2.593 1.00 2.36 C ATOM 1457 OD1 ASP A 90 13.654 -3.558 3.365 1.00 2.64 O ATOM 1458 OD2 ASP A 90 12.382 -1.809 2.998 1.00 3.18 O ATOM 0 H ASP A 90 15.075 -3.733 -0.382 1.00 1.05 H new ATOM 0 HA ASP A 90 13.254 -1.435 -0.219 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.023 -3.058 0.719 1.00 1.54 H new ATOM 0 HB3 ASP A 90 13.403 -4.115 0.947 1.00 1.54 H new ATOM 1463 N PRO A 91 14.414 -0.099 1.554 1.00 1.32 N ATOM 1464 CA PRO A 91 15.190 0.794 2.413 1.00 1.52 C ATOM 1465 C PRO A 91 15.350 0.278 3.839 1.00 1.24 C ATOM 1466 O PRO A 91 16.414 0.453 4.442 1.00 1.58 O ATOM 1467 CB PRO A 91 14.373 2.086 2.418 1.00 2.16 C ATOM 1468 CG PRO A 91 12.992 1.677 2.046 1.00 2.36 C ATOM 1469 CD PRO A 91 13.155 0.520 1.106 1.00 1.92 C ATOM 0 HA PRO A 91 16.209 0.904 2.041 1.00 1.52 H new ATOM 0 HB2 PRO A 91 14.392 2.560 3.399 1.00 2.16 H new ATOM 0 HB3 PRO A 91 14.774 2.808 1.707 1.00 2.16 H new ATOM 0 HG2 PRO A 91 12.418 1.389 2.927 1.00 2.36 H new ATOM 0 HG3 PRO A 91 12.455 2.497 1.569 1.00 2.36 H new ATOM 0 HD2 PRO A 91 12.318 -0.175 1.173 1.00 1.92 H new ATOM 0 HD3 PRO A 91 13.214 0.849 0.068 1.00 1.92 H new ATOM 1477 N ASP A 92 14.285 -0.332 4.379 1.00 1.06 N ATOM 1478 CA ASP A 92 14.248 -0.796 5.782 1.00 1.34 C ATOM 1479 C ASP A 92 14.142 0.387 6.754 1.00 1.18 C ATOM 1480 O ASP A 92 13.642 0.258 7.873 1.00 1.61 O ATOM 1481 CB ASP A 92 15.481 -1.656 6.098 1.00 1.93 C ATOM 1482 CG ASP A 92 15.516 -2.163 7.527 1.00 2.60 C ATOM 1483 OD1 ASP A 92 14.834 -3.165 7.824 1.00 2.98 O ATOM 1484 OD2 ASP A 92 16.195 -1.537 8.368 1.00 2.99 O ATOM 0 H ASP A 92 13.426 -0.519 3.862 1.00 1.06 H new ATOM 0 HA ASP A 92 13.358 -1.412 5.911 1.00 1.34 H new ATOM 0 HB2 ASP A 92 15.504 -2.508 5.418 1.00 1.93 H new ATOM 0 HB3 ASP A 92 16.381 -1.071 5.906 1.00 1.93 H new ATOM 1489 N ASN A 93 14.594 1.542 6.292 1.00 1.06 N ATOM 1490 CA ASN A 93 14.561 2.777 7.049 1.00 1.26 C ATOM 1491 C ASN A 93 13.963 3.829 6.148 1.00 1.04 C ATOM 1492 O ASN A 93 14.680 4.577 5.494 1.00 1.49 O ATOM 1493 CB ASN A 93 15.978 3.185 7.440 1.00 1.65 C ATOM 1494 CG ASN A 93 16.669 2.169 8.321 1.00 2.22 C ATOM 1495 OD1 ASN A 93 16.569 2.218 9.548 1.00 3.06 O ATOM 1496 ND2 ASN A 93 17.386 1.246 7.701 1.00 2.21 N ATOM 0 H ASN A 93 15.001 1.646 5.363 1.00 1.06 H new ATOM 0 HA ASN A 93 13.975 2.658 7.960 1.00 1.26 H new ATOM 0 HB2 ASN A 93 16.569 3.334 6.536 1.00 1.65 H new ATOM 0 HB3 ASN A 93 15.943 4.143 7.959 1.00 1.65 H new ATOM 0 HD21 ASN A 93 17.883 0.538 8.241 1.00 2.21 H new ATOM 0 HD22 ASN A 93 17.442 1.242 6.683 1.00 2.21 H new ATOM 1503 N SER A 94 12.654 3.857 6.070 1.00 0.68 N ATOM 1504 CA SER A 94 12.004 4.503 4.956 1.00 0.77 C ATOM 1505 C SER A 94 11.346 5.819 5.288 1.00 0.72 C ATOM 1506 O SER A 94 11.598 6.452 6.312 1.00 1.22 O ATOM 1507 CB SER A 94 10.955 3.579 4.384 1.00 1.19 C ATOM 1508 OG SER A 94 10.297 2.869 5.412 1.00 1.85 O ATOM 0 H SER A 94 12.024 3.444 6.757 1.00 0.68 H new ATOM 0 HA SER A 94 12.797 4.721 4.241 1.00 0.77 H new ATOM 0 HB2 SER A 94 10.228 4.156 3.812 1.00 1.19 H new ATOM 0 HB3 SER A 94 11.421 2.877 3.692 1.00 1.19 H new ATOM 0 HG SER A 94 9.618 3.443 5.823 1.00 1.85 H new ATOM 1514 N SER A 95 10.501 6.206 4.353 1.00 0.60 N ATOM 1515 CA SER A 95 9.787 7.445 4.395 1.00 0.67 C ATOM 1516 C SER A 95 8.680 7.427 5.432 1.00 0.70 C ATOM 1517 O SER A 95 8.518 8.392 6.169 1.00 1.27 O ATOM 1518 CB SER A 95 9.184 7.691 3.030 1.00 0.93 C ATOM 1519 OG SER A 95 10.189 7.695 2.037 1.00 1.44 O ATOM 0 H SER A 95 10.294 5.646 3.526 1.00 0.60 H new ATOM 0 HA SER A 95 10.484 8.237 4.670 1.00 0.67 H new ATOM 0 HB2 SER A 95 8.448 6.919 2.807 1.00 0.93 H new ATOM 0 HB3 SER A 95 8.657 8.645 3.026 1.00 0.93 H new ATOM 0 HG SER A 95 10.098 8.498 1.483 1.00 1.44 H new ATOM 1525 N GLU A 96 7.913 6.330 5.454 1.00 0.48 N ATOM 1526 CA GLU A 96 6.743 6.218 6.322 1.00 0.45 C ATOM 1527 C GLU A 96 5.628 7.139 5.812 1.00 0.45 C ATOM 1528 O GLU A 96 5.757 8.363 5.834 1.00 0.60 O ATOM 1529 CB GLU A 96 7.145 6.537 7.770 1.00 0.56 C ATOM 1530 CG GLU A 96 6.008 6.986 8.670 1.00 1.11 C ATOM 1531 CD GLU A 96 6.507 7.540 9.991 1.00 1.30 C ATOM 1532 OE1 GLU A 96 7.197 8.581 9.981 1.00 1.81 O ATOM 1533 OE2 GLU A 96 6.196 6.954 11.048 1.00 1.33 O ATOM 0 H GLU A 96 8.086 5.507 4.877 1.00 0.48 H new ATOM 0 HA GLU A 96 6.357 5.199 6.304 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.605 5.651 8.207 1.00 0.56 H new ATOM 0 HB3 GLU A 96 7.906 7.317 7.756 1.00 0.56 H new ATOM 0 HG2 GLU A 96 5.420 7.748 8.157 1.00 1.11 H new ATOM 0 HG3 GLU A 96 5.343 6.144 8.859 1.00 1.11 H new ATOM 1540 N PHE A 97 4.549 6.549 5.308 1.00 0.39 N ATOM 1541 CA PHE A 97 3.469 7.341 4.734 1.00 0.40 C ATOM 1542 C PHE A 97 2.187 7.201 5.535 1.00 0.41 C ATOM 1543 O PHE A 97 1.938 6.174 6.165 1.00 0.53 O ATOM 1544 CB PHE A 97 3.222 6.986 3.259 1.00 0.51 C ATOM 1545 CG PHE A 97 2.936 5.534 2.973 1.00 0.42 C ATOM 1546 CD1 PHE A 97 3.947 4.670 2.574 1.00 0.46 C ATOM 1547 CD2 PHE A 97 1.656 5.025 3.137 1.00 0.50 C ATOM 1548 CE1 PHE A 97 3.684 3.332 2.346 1.00 0.53 C ATOM 1549 CE2 PHE A 97 1.388 3.692 2.905 1.00 0.64 C ATOM 1550 CZ PHE A 97 2.414 2.868 2.380 1.00 0.63 C ATOM 0 H PHE A 97 4.400 5.540 5.285 1.00 0.39 H new ATOM 0 HA PHE A 97 3.786 8.383 4.780 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.383 7.580 2.897 1.00 0.51 H new ATOM 0 HB3 PHE A 97 4.097 7.285 2.681 1.00 0.51 H new ATOM 0 HD1 PHE A 97 4.950 5.047 2.440 1.00 0.46 H new ATOM 0 HD2 PHE A 97 0.858 5.682 3.451 1.00 0.50 H new ATOM 0 HE1 PHE A 97 4.498 2.653 2.139 1.00 0.53 H new ATOM 0 HE2 PHE A 97 0.412 3.283 3.120 1.00 0.64 H new ATOM 0 HZ PHE A 97 2.184 1.879 2.011 1.00 0.63 H new ATOM 1560 N THR A 98 1.383 8.249 5.505 1.00 0.35 N ATOM 1561 CA THR A 98 0.126 8.277 6.226 1.00 0.36 C ATOM 1562 C THR A 98 -1.049 8.184 5.260 1.00 0.33 C ATOM 1563 O THR A 98 -1.259 9.071 4.431 1.00 0.36 O ATOM 1564 CB THR A 98 0.003 9.563 7.064 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.131 9.675 7.943 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.285 9.566 7.878 1.00 0.40 C ATOM 0 H THR A 98 1.583 9.101 4.982 1.00 0.35 H new ATOM 0 HA THR A 98 0.107 7.417 6.895 1.00 0.36 H new ATOM 0 HB THR A 98 -0.021 10.415 6.384 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.052 10.495 8.474 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.345 10.486 8.460 1.00 0.40 H new ATOM 0 HG22 THR A 98 -2.141 9.505 7.205 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.292 8.709 8.552 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.786 7.091 5.353 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.977 6.892 4.550 1.00 0.35 C ATOM 1576 C VAL A 99 -4.192 7.469 5.258 1.00 0.31 C ATOM 1577 O VAL A 99 -4.627 6.946 6.285 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.216 5.389 4.271 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.500 5.176 3.492 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -2.044 4.785 3.515 1.00 0.87 C ATOM 0 H VAL A 99 -1.576 6.319 5.986 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.827 7.406 3.601 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.308 4.886 5.234 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.643 4.111 3.310 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.342 5.562 4.066 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.439 5.702 2.539 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.236 3.728 3.331 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.919 5.302 2.564 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.135 4.891 4.108 1.00 0.87 H new ATOM 1590 N THR A 100 -4.726 8.549 4.714 1.00 0.31 N ATOM 1591 CA THR A 100 -5.906 9.170 5.278 1.00 0.30 C ATOM 1592 C THR A 100 -7.134 8.848 4.435 1.00 0.26 C ATOM 1593 O THR A 100 -7.299 9.371 3.334 1.00 0.28 O ATOM 1594 CB THR A 100 -5.734 10.700 5.381 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.507 11.008 6.059 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.901 11.331 6.129 1.00 0.36 C ATOM 0 H THR A 100 -4.359 9.012 3.882 1.00 0.31 H new ATOM 0 HA THR A 100 -6.044 8.768 6.282 1.00 0.30 H new ATOM 0 HB THR A 100 -5.708 11.109 4.371 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.402 11.980 6.120 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.755 12.410 6.188 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.830 11.119 5.600 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.954 10.917 7.136 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.980 7.965 4.948 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.219 7.624 4.271 1.00 0.24 C ATOM 1606 C PHE A 101 -10.335 8.558 4.712 1.00 0.25 C ATOM 1607 O PHE A 101 -10.799 8.488 5.851 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.629 6.177 4.555 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.835 5.135 3.822 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.818 5.106 2.439 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.126 4.171 4.517 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.105 4.136 1.760 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.409 3.200 3.843 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.398 3.183 2.464 1.00 0.29 C ATOM 0 H PHE A 101 -7.829 7.474 5.829 1.00 0.25 H new ATOM 0 HA PHE A 101 -9.050 7.734 3.200 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.539 5.994 5.626 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.682 6.057 4.298 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.369 5.850 1.883 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -8.133 4.177 5.597 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.101 4.124 0.680 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.857 2.455 4.396 1.00 0.31 H new ATOM 0 HZ PHE A 101 -6.837 2.426 1.936 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.755 9.434 3.817 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.852 10.342 4.103 1.00 0.31 C ATOM 1626 C VAL A 102 -13.173 9.696 3.708 1.00 0.30 C ATOM 1627 O VAL A 102 -13.468 9.538 2.522 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.686 11.683 3.359 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.840 12.626 3.675 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.352 12.327 3.711 1.00 0.54 C ATOM 0 H VAL A 102 -10.353 9.536 2.885 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.847 10.547 5.173 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.699 11.482 2.288 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.700 13.565 3.139 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.779 12.168 3.366 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.867 12.821 4.747 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -10.252 13.272 3.177 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -10.309 12.510 4.785 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.539 11.660 3.424 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.951 9.307 4.705 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.216 8.635 4.470 1.00 0.35 C ATOM 1642 C ALA A 103 -16.257 9.629 3.978 1.00 0.39 C ATOM 1643 O ALA A 103 -16.480 10.668 4.604 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.692 7.943 5.735 1.00 0.44 C ATOM 0 H ALA A 103 -13.726 9.447 5.690 1.00 0.31 H new ATOM 0 HA ALA A 103 -15.071 7.877 3.700 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.642 7.444 5.542 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.952 7.206 6.047 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.825 8.681 6.526 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.892 9.313 2.865 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.829 10.229 2.240 1.00 0.57 C ATOM 1652 C ASP A 104 -19.179 9.557 2.034 1.00 0.64 C ATOM 1653 O ASP A 104 -19.303 8.607 1.253 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.274 10.710 0.899 1.00 0.58 C ATOM 1655 CG ASP A 104 -18.088 11.835 0.300 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -17.718 13.008 0.489 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -19.118 11.547 -0.343 1.00 2.03 O ATOM 0 H ASP A 104 -16.776 8.427 2.374 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.966 11.087 2.899 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -16.245 11.044 1.035 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.248 9.874 0.200 1.00 0.58 H new ATOM 1662 N GLY A 105 -20.182 10.035 2.754 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.516 9.508 2.606 1.00 0.83 C ATOM 1664 C GLY A 105 -21.627 8.091 3.110 1.00 1.06 C ATOM 1665 O GLY A 105 -21.496 7.829 4.307 1.00 1.97 O ATOM 0 H GLY A 105 -20.092 10.783 3.441 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -22.217 10.141 3.149 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.804 9.542 1.555 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.859 7.179 2.188 1.00 1.24 N ATOM 1670 CA GLN A 106 -22.007 5.776 2.517 1.00 2.07 C ATOM 1671 C GLN A 106 -21.335 4.914 1.454 1.00 1.73 C ATOM 1672 O GLN A 106 -21.050 3.741 1.678 1.00 2.51 O ATOM 1673 CB GLN A 106 -23.493 5.430 2.616 1.00 2.98 C ATOM 1674 CG GLN A 106 -23.772 4.016 3.101 1.00 3.83 C ATOM 1675 CD GLN A 106 -25.225 3.613 2.933 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -25.761 2.827 3.718 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -25.872 4.134 1.902 1.00 4.93 N ATOM 0 H GLN A 106 -21.950 7.388 1.194 1.00 1.24 H new ATOM 0 HA GLN A 106 -21.528 5.579 3.476 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -23.975 6.136 3.292 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -23.952 5.563 1.636 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -23.140 3.317 2.553 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -23.497 3.937 4.153 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -25.395 4.781 1.274 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -26.848 3.888 1.735 1.00 4.93 H new ATOM 1686 N LYS A 107 -21.084 5.505 0.290 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.502 4.772 -0.823 1.00 0.48 C ATOM 1688 C LYS A 107 -19.332 5.525 -1.447 1.00 0.38 C ATOM 1689 O LYS A 107 -19.021 5.320 -2.617 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.562 4.507 -1.896 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.671 3.570 -1.449 1.00 1.55 C ATOM 1692 CD LYS A 107 -23.696 3.343 -2.554 1.00 2.23 C ATOM 1693 CE LYS A 107 -23.066 2.750 -3.811 1.00 2.95 C ATOM 1694 NZ LYS A 107 -22.597 1.352 -3.610 1.00 3.53 N ATOM 0 H LYS A 107 -21.275 6.488 0.096 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.129 3.827 -0.428 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -22.003 5.457 -2.199 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -21.076 4.085 -2.776 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -22.241 2.614 -1.149 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -23.167 3.986 -0.572 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -24.477 2.675 -2.191 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -24.176 4.290 -2.802 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -23.793 2.772 -4.623 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -22.225 3.371 -4.119 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -22.178 0.996 -4.493 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -21.883 1.331 -2.854 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -23.402 0.751 -3.342 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.679 6.393 -0.688 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.498 7.074 -1.201 1.00 0.29 C ATOM 1710 C LYS A 108 -16.433 7.203 -0.121 1.00 0.27 C ATOM 1711 O LYS A 108 -16.742 7.249 1.068 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.858 8.465 -1.733 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.795 9.059 -2.649 1.00 0.50 C ATOM 1714 CD LYS A 108 -16.998 10.550 -2.910 1.00 1.09 C ATOM 1715 CE LYS A 108 -18.287 10.857 -3.669 1.00 1.62 C ATOM 1716 NZ LYS A 108 -19.495 10.780 -2.802 1.00 2.44 N ATOM 0 H LYS A 108 -18.939 6.640 0.267 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.102 6.473 -2.019 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.801 8.405 -2.276 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.017 9.138 -0.890 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -15.812 8.904 -2.204 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.802 8.525 -3.599 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -17.009 11.081 -1.958 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -16.150 10.932 -3.478 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -18.219 11.854 -4.104 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -18.393 10.155 -4.496 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -20.074 11.633 -2.937 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -20.052 9.940 -3.057 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -19.204 10.713 -1.806 1.00 2.44 H new ATOM 1730 N THR A 109 -15.179 7.229 -0.546 1.00 0.26 N ATOM 1731 CA THR A 109 -14.056 7.470 0.348 1.00 0.25 C ATOM 1732 C THR A 109 -12.845 7.953 -0.440 1.00 0.26 C ATOM 1733 O THR A 109 -12.271 7.213 -1.234 1.00 0.35 O ATOM 1734 CB THR A 109 -13.680 6.209 1.154 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.757 5.857 2.024 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.417 6.430 1.977 1.00 0.42 C ATOM 0 H THR A 109 -14.911 7.084 -1.519 1.00 0.26 H new ATOM 0 HA THR A 109 -14.365 8.241 1.054 1.00 0.25 H new ATOM 0 HB THR A 109 -13.490 5.402 0.447 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.428 6.571 2.019 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.181 5.522 2.532 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.588 6.675 1.313 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.577 7.251 2.676 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.473 9.202 -0.228 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.322 9.780 -0.899 1.00 0.27 C ATOM 1746 C ARG A 110 -10.101 9.677 0.003 1.00 0.26 C ATOM 1747 O ARG A 110 -10.032 10.331 1.041 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.603 11.246 -1.257 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.454 11.954 -1.965 1.00 0.68 C ATOM 1750 CD ARG A 110 -10.220 11.412 -3.368 1.00 0.62 C ATOM 1751 NE ARG A 110 -9.251 12.230 -4.099 1.00 1.27 N ATOM 1752 CZ ARG A 110 -8.810 11.967 -5.332 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -9.272 10.920 -6.000 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -7.926 12.778 -5.903 1.00 2.59 N ATOM 0 H ARG A 110 -12.954 9.839 0.407 1.00 0.25 H new ATOM 0 HA ARG A 110 -11.128 9.231 -1.821 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.487 11.289 -1.893 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.841 11.791 -0.344 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.667 13.022 -2.021 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.543 11.841 -1.377 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -9.860 10.385 -3.308 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -11.164 11.388 -3.913 1.00 0.62 H new ATOM 0 HE ARG A 110 -8.886 13.061 -3.633 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -9.969 10.309 -5.573 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -8.931 10.725 -6.941 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -7.587 13.598 -5.400 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -7.587 12.581 -6.844 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.151 8.837 -0.372 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.945 8.681 0.422 1.00 0.27 C ATOM 1770 C VAL A 111 -6.878 9.653 -0.044 1.00 0.29 C ATOM 1771 O VAL A 111 -6.690 9.856 -1.249 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.375 7.248 0.359 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.996 6.885 -1.056 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.167 7.110 1.270 1.00 0.33 C ATOM 0 H VAL A 111 -9.190 8.259 -1.211 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.225 8.889 1.455 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.151 6.563 0.700 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.597 5.871 -1.077 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.878 6.941 -1.695 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.240 7.580 -1.420 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.781 6.092 1.211 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.393 7.811 0.957 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.459 7.328 2.297 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.192 10.248 0.912 1.00 0.31 N ATOM 1785 CA ASP A 112 -5.072 11.112 0.614 1.00 0.37 C ATOM 1786 C ASP A 112 -3.875 10.664 1.431 1.00 0.37 C ATOM 1787 O ASP A 112 -3.896 10.691 2.663 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.421 12.569 0.907 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.382 13.536 0.371 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.291 13.633 0.963 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.666 14.220 -0.642 1.00 1.38 O ATOM 0 H ASP A 112 -6.394 10.147 1.907 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.829 11.043 -0.446 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.391 12.802 0.467 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.518 12.706 1.984 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.860 10.199 0.734 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.678 9.645 1.365 1.00 0.41 C ATOM 1798 C VAL A 113 -0.516 10.610 1.300 1.00 0.43 C ATOM 1799 O VAL A 113 -0.088 10.994 0.218 1.00 0.47 O ATOM 1800 CB VAL A 113 -1.274 8.320 0.692 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.149 7.923 1.062 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -2.251 7.231 1.076 1.00 0.77 C ATOM 0 H VAL A 113 -2.830 10.194 -0.286 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.924 9.462 2.411 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.304 8.459 -0.389 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.404 6.984 0.571 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.840 8.701 0.738 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.223 7.800 2.142 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.960 6.296 0.597 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -2.245 7.102 2.158 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -3.253 7.510 0.750 1.00 0.77 H new ATOM 1812 N GLU A 114 -0.002 10.976 2.460 1.00 0.47 N ATOM 1813 CA GLU A 114 1.162 11.832 2.536 1.00 0.55 C ATOM 1814 C GLU A 114 2.410 10.982 2.740 1.00 0.60 C ATOM 1815 O GLU A 114 2.435 10.084 3.584 1.00 0.62 O ATOM 1816 CB GLU A 114 1.016 12.837 3.670 1.00 0.67 C ATOM 1817 CG GLU A 114 2.069 13.929 3.640 1.00 1.31 C ATOM 1818 CD GLU A 114 1.901 14.857 2.454 1.00 1.75 C ATOM 1819 OE1 GLU A 114 0.865 15.556 2.380 1.00 2.31 O ATOM 1820 OE2 GLU A 114 2.815 14.914 1.608 1.00 2.05 O ATOM 0 H GLU A 114 -0.376 10.691 3.365 1.00 0.47 H new ATOM 0 HA GLU A 114 1.254 12.385 1.601 1.00 0.55 H new ATOM 0 HB2 GLU A 114 0.027 13.293 3.618 1.00 0.67 H new ATOM 0 HB3 GLU A 114 1.074 12.311 4.623 1.00 0.67 H new ATOM 0 HG2 GLU A 114 2.015 14.508 4.562 1.00 1.31 H new ATOM 0 HG3 GLU A 114 3.059 13.475 3.606 1.00 1.31 H new ATOM 1827 N HIS A 115 3.432 11.270 1.960 1.00 0.70 N ATOM 1828 CA HIS A 115 4.649 10.476 1.941 1.00 0.80 C ATOM 1829 C HIS A 115 5.824 11.372 1.565 1.00 0.89 C ATOM 1830 O HIS A 115 5.920 11.827 0.430 1.00 1.17 O ATOM 1831 CB HIS A 115 4.471 9.354 0.908 1.00 0.92 C ATOM 1832 CG HIS A 115 5.593 8.368 0.784 1.00 0.87 C ATOM 1833 ND1 HIS A 115 5.397 7.004 0.834 1.00 1.59 N ATOM 1834 CD2 HIS A 115 6.901 8.542 0.502 1.00 1.36 C ATOM 1835 CE1 HIS A 115 6.535 6.387 0.585 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.465 7.296 0.378 1.00 1.47 N ATOM 0 H HIS A 115 3.444 12.063 1.319 1.00 0.70 H new ATOM 0 HA HIS A 115 4.846 10.040 2.920 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.562 8.806 1.155 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.312 9.812 -0.068 1.00 0.92 H new ATOM 0 HD2 HIS A 115 7.411 9.488 0.394 1.00 1.36 H new ATOM 0 HE1 HIS A 115 6.680 5.317 0.556 1.00 1.64 H new ATOM 0 HE2 HIS A 115 8.443 7.106 0.161 1.00 1.47 H new ATOM 1845 N THR A 116 6.706 11.640 2.508 1.00 0.90 N ATOM 1846 CA THR A 116 7.827 12.520 2.236 1.00 1.08 C ATOM 1847 C THR A 116 8.911 12.360 3.303 1.00 0.83 C ATOM 1848 O THR A 116 8.822 12.907 4.403 1.00 1.67 O ATOM 1849 CB THR A 116 7.361 13.998 2.116 1.00 1.92 C ATOM 1850 OG1 THR A 116 8.472 14.863 1.853 1.00 2.67 O ATOM 1851 CG2 THR A 116 6.630 14.466 3.371 1.00 2.51 C ATOM 0 H THR A 116 6.671 11.267 3.457 1.00 0.90 H new ATOM 0 HA THR A 116 8.259 12.235 1.277 1.00 1.08 H new ATOM 0 HB THR A 116 6.664 14.045 1.279 1.00 1.92 H new ATOM 0 HG1 THR A 116 8.400 15.221 0.944 1.00 2.67 H new ATOM 0 HG21 THR A 116 6.321 15.504 3.246 1.00 2.51 H new ATOM 0 HG22 THR A 116 5.751 13.843 3.534 1.00 2.51 H new ATOM 0 HG23 THR A 116 7.295 14.386 4.231 1.00 2.51 H new ATOM 1859 N HIS A 117 9.917 11.556 2.988 1.00 0.72 N ATOM 1860 CA HIS A 117 11.013 11.329 3.927 1.00 1.13 C ATOM 1861 C HIS A 117 12.226 10.709 3.232 1.00 0.90 C ATOM 1862 O HIS A 117 13.195 11.403 2.941 1.00 0.97 O ATOM 1863 CB HIS A 117 10.533 10.440 5.087 1.00 1.98 C ATOM 1864 CG HIS A 117 11.498 10.270 6.230 1.00 2.07 C ATOM 1865 ND1 HIS A 117 11.096 10.275 7.549 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.831 10.034 6.251 1.00 2.33 C ATOM 1867 CE1 HIS A 117 12.139 10.054 8.327 1.00 2.60 C ATOM 1868 NE2 HIS A 117 13.206 9.901 7.564 1.00 2.63 N ATOM 0 H HIS A 117 10.000 11.055 2.103 1.00 0.72 H new ATOM 0 HA HIS A 117 11.326 12.293 4.327 1.00 1.13 H new ATOM 0 HB2 HIS A 117 9.606 10.858 5.479 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.295 9.454 4.689 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.481 9.963 5.391 1.00 2.33 H new ATOM 0 HE1 HIS A 117 12.123 10.006 9.406 1.00 2.60 H new ATOM 0 HE2 HIS A 117 14.152 9.715 7.896 1.00 2.63 H new ATOM 1877 N PHE A 118 12.178 9.408 2.953 1.00 0.76 N ATOM 1878 CA PHE A 118 13.369 8.704 2.506 1.00 0.76 C ATOM 1879 C PHE A 118 13.585 8.823 0.991 1.00 0.65 C ATOM 1880 O PHE A 118 14.716 8.983 0.540 1.00 0.74 O ATOM 1881 CB PHE A 118 13.302 7.237 2.934 1.00 0.97 C ATOM 1882 CG PHE A 118 14.649 6.612 3.075 1.00 1.74 C ATOM 1883 CD1 PHE A 118 15.665 7.269 3.732 1.00 2.35 C ATOM 1884 CD2 PHE A 118 14.890 5.358 2.548 1.00 2.32 C ATOM 1885 CE1 PHE A 118 16.910 6.683 3.867 1.00 3.18 C ATOM 1886 CE2 PHE A 118 16.130 4.766 2.674 1.00 3.21 C ATOM 1887 CZ PHE A 118 17.163 5.473 3.338 1.00 3.54 C ATOM 0 H PHE A 118 11.340 8.831 3.028 1.00 0.76 H new ATOM 0 HA PHE A 118 14.228 9.177 2.982 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.772 7.165 3.884 1.00 0.97 H new ATOM 0 HB3 PHE A 118 12.722 6.676 2.202 1.00 0.97 H new ATOM 0 HD1 PHE A 118 15.488 8.251 4.146 1.00 2.35 H new ATOM 0 HD2 PHE A 118 14.099 4.835 2.031 1.00 2.32 H new ATOM 0 HE1 PHE A 118 17.689 7.204 4.404 1.00 3.18 H new ATOM 0 HE2 PHE A 118 16.310 3.780 2.273 1.00 3.21 H new ATOM 0 HZ PHE A 118 18.150 5.042 3.419 1.00 3.54 H new ATOM 1897 N ASP A 119 12.511 8.754 0.211 1.00 0.66 N ATOM 1898 CA ASP A 119 12.599 8.872 -1.244 1.00 0.75 C ATOM 1899 C ASP A 119 12.824 10.320 -1.623 1.00 0.74 C ATOM 1900 O ASP A 119 13.519 10.628 -2.591 1.00 0.83 O ATOM 1901 CB ASP A 119 11.323 8.348 -1.904 1.00 0.94 C ATOM 1902 CG ASP A 119 10.219 8.084 -0.899 1.00 1.34 C ATOM 1903 OD1 ASP A 119 9.740 6.930 -0.811 1.00 1.75 O ATOM 1904 OD2 ASP A 119 9.787 9.033 -0.211 1.00 1.81 O ATOM 0 H ASP A 119 11.564 8.616 0.563 1.00 0.66 H new ATOM 0 HA ASP A 119 13.438 8.272 -1.596 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.975 9.072 -2.641 1.00 0.94 H new ATOM 0 HB3 ASP A 119 11.548 7.428 -2.443 1.00 0.94 H new ATOM 1909 N ARG A 120 12.221 11.196 -0.828 1.00 0.76 N ATOM 1910 CA ARG A 120 12.447 12.641 -0.890 1.00 0.89 C ATOM 1911 C ARG A 120 13.940 12.990 -0.922 1.00 0.83 C ATOM 1912 O ARG A 120 14.329 14.066 -1.377 1.00 1.00 O ATOM 1913 CB ARG A 120 11.774 13.287 0.325 1.00 1.07 C ATOM 1914 CG ARG A 120 12.117 14.752 0.550 1.00 1.50 C ATOM 1915 CD ARG A 120 11.454 15.264 1.817 1.00 1.71 C ATOM 1916 NE ARG A 120 11.920 16.591 2.206 1.00 2.15 N ATOM 1917 CZ ARG A 120 11.176 17.464 2.882 1.00 2.66 C ATOM 1918 NH1 ARG A 120 9.903 17.187 3.154 1.00 2.90 N ATOM 1919 NH2 ARG A 120 11.699 18.617 3.278 1.00 3.38 N ATOM 0 H ARG A 120 11.550 10.921 -0.110 1.00 0.76 H new ATOM 0 HA ARG A 120 12.016 13.024 -1.815 1.00 0.89 H new ATOM 0 HB2 ARG A 120 10.694 13.196 0.213 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.051 12.724 1.216 1.00 1.07 H new ATOM 0 HG2 ARG A 120 13.198 14.871 0.624 1.00 1.50 H new ATOM 0 HG3 ARG A 120 11.789 15.344 -0.304 1.00 1.50 H new ATOM 0 HD2 ARG A 120 10.374 15.292 1.670 1.00 1.71 H new ATOM 0 HD3 ARG A 120 11.647 14.564 2.630 1.00 1.71 H new ATOM 0 HE ARG A 120 12.868 16.865 1.946 1.00 2.15 H new ATOM 0 HH11 ARG A 120 9.496 16.305 2.844 1.00 2.90 H new ATOM 0 HH12 ARG A 120 9.335 17.857 3.672 1.00 2.90 H new ATOM 0 HH21 ARG A 120 12.672 18.836 3.065 1.00 3.38 H new ATOM 0 HH22 ARG A 120 11.128 19.285 3.796 1.00 3.38 H new ATOM 1933 N MET A 121 14.779 12.068 -0.458 1.00 0.73 N ATOM 1934 CA MET A 121 16.218 12.299 -0.414 1.00 0.91 C ATOM 1935 C MET A 121 16.865 12.027 -1.774 1.00 1.12 C ATOM 1936 O MET A 121 18.084 11.883 -1.871 1.00 1.41 O ATOM 1937 CB MET A 121 16.869 11.439 0.669 1.00 1.05 C ATOM 1938 CG MET A 121 16.413 11.784 2.076 1.00 1.28 C ATOM 1939 SD MET A 121 16.686 13.520 2.485 1.00 2.15 S ATOM 1940 CE MET A 121 16.034 13.582 4.153 1.00 2.43 C ATOM 0 H MET A 121 14.487 11.156 -0.108 1.00 0.73 H new ATOM 0 HA MET A 121 16.379 13.349 -0.168 1.00 0.91 H new ATOM 0 HB2 MET A 121 16.647 10.390 0.471 1.00 1.05 H new ATOM 0 HB3 MET A 121 17.951 11.552 0.609 1.00 1.05 H new ATOM 0 HG2 MET A 121 15.353 11.553 2.178 1.00 1.28 H new ATOM 0 HG3 MET A 121 16.946 11.157 2.791 1.00 1.28 H new ATOM 0 HE1 MET A 121 16.132 14.595 4.545 1.00 2.43 H new ATOM 0 HE2 MET A 121 14.982 13.297 4.143 1.00 2.43 H new ATOM 0 HE3 MET A 121 16.591 12.892 4.787 1.00 2.43 H new ATOM 1950 N GLY A 122 16.025 11.925 -2.806 1.00 1.18 N ATOM 1951 CA GLY A 122 16.490 11.881 -4.185 1.00 1.61 C ATOM 1952 C GLY A 122 17.548 10.829 -4.450 1.00 1.21 C ATOM 1953 O GLY A 122 17.635 9.833 -3.728 1.00 1.30 O ATOM 0 H GLY A 122 15.011 11.871 -2.706 1.00 1.18 H new ATOM 0 HA2 GLY A 122 15.638 11.696 -4.838 1.00 1.61 H new ATOM 0 HA3 GLY A 122 16.890 12.859 -4.453 1.00 1.61 H new ATOM 1957 N THR A 123 18.343 11.073 -5.495 1.00 1.27 N ATOM 1958 CA THR A 123 19.443 10.200 -5.912 1.00 1.42 C ATOM 1959 C THR A 123 19.091 8.708 -5.757 1.00 1.27 C ATOM 1960 O THR A 123 18.030 8.277 -6.215 1.00 1.24 O ATOM 1961 CB THR A 123 20.776 10.577 -5.190 1.00 1.94 C ATOM 1962 OG1 THR A 123 21.855 9.771 -5.680 1.00 2.44 O ATOM 1963 CG2 THR A 123 20.688 10.440 -3.672 1.00 2.58 C ATOM 0 H THR A 123 18.238 11.898 -6.086 1.00 1.27 H new ATOM 0 HA THR A 123 19.601 10.365 -6.978 1.00 1.42 H new ATOM 0 HB THR A 123 20.962 11.627 -5.414 1.00 1.94 H new ATOM 0 HG1 THR A 123 22.409 9.474 -4.928 1.00 2.44 H new ATOM 0 HG21 THR A 123 21.644 10.715 -3.226 1.00 2.58 H new ATOM 0 HG22 THR A 123 19.907 11.098 -3.292 1.00 2.58 H new ATOM 0 HG23 THR A 123 20.451 9.408 -3.413 1.00 2.58 H new ATOM 1971 N LYS A 124 19.973 7.932 -5.127 1.00 1.28 N ATOM 1972 CA LYS A 124 19.774 6.499 -4.933 1.00 1.24 C ATOM 1973 C LYS A 124 18.405 6.186 -4.331 1.00 1.05 C ATOM 1974 O LYS A 124 17.734 5.256 -4.765 1.00 1.04 O ATOM 1975 CB LYS A 124 20.878 5.943 -4.033 1.00 1.43 C ATOM 1976 CG LYS A 124 20.802 4.443 -3.833 1.00 2.04 C ATOM 1977 CD LYS A 124 21.940 3.937 -2.968 1.00 2.45 C ATOM 1978 CE LYS A 124 21.968 2.420 -2.936 1.00 3.14 C ATOM 1979 NZ LYS A 124 22.163 1.843 -4.293 1.00 3.80 N ATOM 0 H LYS A 124 20.848 8.282 -4.736 1.00 1.28 H new ATOM 0 HA LYS A 124 19.817 6.023 -5.912 1.00 1.24 H new ATOM 0 HB2 LYS A 124 21.847 6.195 -4.464 1.00 1.43 H new ATOM 0 HB3 LYS A 124 20.824 6.434 -3.061 1.00 1.43 H new ATOM 0 HG2 LYS A 124 19.850 4.185 -3.370 1.00 2.04 H new ATOM 0 HG3 LYS A 124 20.831 3.944 -4.802 1.00 2.04 H new ATOM 0 HD2 LYS A 124 22.888 4.313 -3.352 1.00 2.45 H new ATOM 0 HD3 LYS A 124 21.831 4.323 -1.955 1.00 2.45 H new ATOM 0 HE2 LYS A 124 22.771 2.085 -2.280 1.00 3.14 H new ATOM 0 HE3 LYS A 124 21.035 2.048 -2.513 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 22.511 0.867 -4.208 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 21.257 1.845 -4.804 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 22.857 2.414 -4.816 1.00 3.80 H new ATOM 1993 N HIS A 125 18.003 6.967 -3.334 1.00 0.96 N ATOM 1994 CA HIS A 125 16.711 6.798 -2.670 1.00 0.85 C ATOM 1995 C HIS A 125 15.567 6.800 -3.687 1.00 0.76 C ATOM 1996 O HIS A 125 14.741 5.890 -3.722 1.00 0.76 O ATOM 1997 CB HIS A 125 16.484 7.925 -1.654 1.00 0.85 C ATOM 1998 CG HIS A 125 17.627 8.156 -0.703 1.00 1.23 C ATOM 1999 ND1 HIS A 125 18.602 9.110 -0.916 1.00 1.80 N ATOM 2000 CD2 HIS A 125 17.934 7.570 0.479 1.00 1.80 C ATOM 2001 CE1 HIS A 125 19.457 9.097 0.093 1.00 2.14 C ATOM 2002 NE2 HIS A 125 19.073 8.174 0.949 1.00 2.12 N ATOM 0 H HIS A 125 18.562 7.735 -2.962 1.00 0.96 H new ATOM 0 HA HIS A 125 16.724 5.837 -2.155 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.288 8.850 -2.196 1.00 0.85 H new ATOM 0 HB3 HIS A 125 15.588 7.699 -1.075 1.00 0.85 H new ATOM 0 HD1 HIS A 125 18.655 9.728 -1.725 1.00 1.80 H new ATOM 0 HD2 HIS A 125 17.385 6.775 0.962 1.00 1.80 H new ATOM 0 HE1 HIS A 125 20.322 9.735 0.197 1.00 2.14 H new ATOM 2011 N ALA A 126 15.530 7.817 -4.526 1.00 0.77 N ATOM 2012 CA ALA A 126 14.458 7.949 -5.499 1.00 0.80 C ATOM 2013 C ALA A 126 14.665 6.994 -6.673 1.00 0.86 C ATOM 2014 O ALA A 126 13.702 6.527 -7.284 1.00 0.92 O ATOM 2015 CB ALA A 126 14.357 9.388 -5.968 1.00 0.92 C ATOM 0 H ALA A 126 16.226 8.562 -4.555 1.00 0.77 H new ATOM 0 HA ALA A 126 13.516 7.677 -5.022 1.00 0.80 H new ATOM 0 HB1 ALA A 126 13.551 9.477 -6.697 1.00 0.92 H new ATOM 0 HB2 ALA A 126 14.149 10.035 -5.116 1.00 0.92 H new ATOM 0 HB3 ALA A 126 15.298 9.687 -6.429 1.00 0.92 H new ATOM 2021 N LYS A 127 15.925 6.696 -6.970 1.00 0.92 N ATOM 2022 CA LYS A 127 16.268 5.744 -8.020 1.00 1.05 C ATOM 2023 C LYS A 127 15.740 4.354 -7.674 1.00 0.97 C ATOM 2024 O LYS A 127 15.030 3.737 -8.467 1.00 1.04 O ATOM 2025 CB LYS A 127 17.790 5.689 -8.212 1.00 1.26 C ATOM 2026 CG LYS A 127 18.248 4.629 -9.203 1.00 1.55 C ATOM 2027 CD LYS A 127 17.804 4.946 -10.621 1.00 1.93 C ATOM 2028 CE LYS A 127 18.133 3.810 -11.576 1.00 2.38 C ATOM 2029 NZ LYS A 127 19.579 3.459 -11.557 1.00 2.83 N ATOM 0 H LYS A 127 16.731 7.103 -6.495 1.00 0.92 H new ATOM 0 HA LYS A 127 15.804 6.076 -8.949 1.00 1.05 H new ATOM 0 HB2 LYS A 127 18.139 6.664 -8.551 1.00 1.26 H new ATOM 0 HB3 LYS A 127 18.261 5.499 -7.248 1.00 1.26 H new ATOM 0 HG2 LYS A 127 19.335 4.550 -9.173 1.00 1.55 H new ATOM 0 HG3 LYS A 127 17.849 3.659 -8.906 1.00 1.55 H new ATOM 0 HD2 LYS A 127 16.730 5.134 -10.634 1.00 1.93 H new ATOM 0 HD3 LYS A 127 18.291 5.860 -10.960 1.00 1.93 H new ATOM 0 HE2 LYS A 127 17.544 2.932 -11.310 1.00 2.38 H new ATOM 0 HE3 LYS A 127 17.843 4.093 -12.588 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 19.784 2.790 -12.327 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 20.147 4.321 -11.686 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 19.818 3.020 -10.645 1.00 2.83 H new ATOM 2043 N ARG A 128 16.081 3.880 -6.479 1.00 0.94 N ATOM 2044 CA ARG A 128 15.662 2.560 -6.014 1.00 1.00 C ATOM 2045 C ARG A 128 14.135 2.467 -5.942 1.00 0.97 C ATOM 2046 O ARG A 128 13.557 1.396 -6.132 1.00 1.09 O ATOM 2047 CB ARG A 128 16.266 2.276 -4.637 1.00 1.14 C ATOM 2048 CG ARG A 128 15.797 3.269 -3.601 1.00 1.11 C ATOM 2049 CD ARG A 128 16.372 3.027 -2.222 1.00 1.34 C ATOM 2050 NE ARG A 128 15.747 3.911 -1.238 1.00 1.59 N ATOM 2051 CZ ARG A 128 14.428 3.964 -1.013 1.00 1.95 C ATOM 2052 NH1 ARG A 128 13.620 3.036 -1.521 1.00 2.14 N ATOM 2053 NH2 ARG A 128 13.919 4.918 -0.241 1.00 2.59 N ATOM 0 H ARG A 128 16.652 4.396 -5.809 1.00 0.94 H new ATOM 0 HA ARG A 128 16.019 1.816 -6.726 1.00 1.00 H new ATOM 0 HB2 ARG A 128 15.995 1.268 -4.323 1.00 1.14 H new ATOM 0 HB3 ARG A 128 17.353 2.308 -4.704 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.066 4.274 -3.926 1.00 1.11 H new ATOM 0 HG3 ARG A 128 14.709 3.233 -3.543 1.00 1.11 H new ATOM 0 HD2 ARG A 128 16.216 1.987 -1.935 1.00 1.34 H new ATOM 0 HD3 ARG A 128 17.449 3.195 -2.237 1.00 1.34 H new ATOM 0 HE ARG A 128 16.352 4.523 -0.691 1.00 1.59 H new ATOM 0 HH11 ARG A 128 14.005 2.279 -2.086 1.00 2.14 H new ATOM 0 HH12 ARG A 128 12.616 3.082 -1.346 1.00 2.14 H new ATOM 0 HH21 ARG A 128 14.533 5.613 0.183 1.00 2.59 H new ATOM 0 HH22 ARG A 128 12.914 4.955 -0.072 1.00 2.59 H new ATOM 2067 N VAL A 129 13.482 3.590 -5.646 1.00 0.91 N ATOM 2068 CA VAL A 129 12.023 3.638 -5.655 1.00 1.04 C ATOM 2069 C VAL A 129 11.481 3.434 -7.074 1.00 1.04 C ATOM 2070 O VAL A 129 10.521 2.681 -7.281 1.00 1.19 O ATOM 2071 CB VAL A 129 11.498 4.969 -5.068 1.00 1.16 C ATOM 2072 CG1 VAL A 129 9.995 5.103 -5.261 1.00 1.43 C ATOM 2073 CG2 VAL A 129 11.846 5.064 -3.593 1.00 1.48 C ATOM 0 H VAL A 129 13.936 4.470 -5.400 1.00 0.91 H new ATOM 0 HA VAL A 129 11.665 2.825 -5.023 1.00 1.04 H new ATOM 0 HB VAL A 129 11.981 5.787 -5.603 1.00 1.16 H new ATOM 0 HG11 VAL A 129 9.657 6.049 -4.838 1.00 1.43 H new ATOM 0 HG12 VAL A 129 9.761 5.077 -6.325 1.00 1.43 H new ATOM 0 HG13 VAL A 129 9.489 4.279 -4.758 1.00 1.43 H new ATOM 0 HG21 VAL A 129 11.471 6.005 -3.191 1.00 1.48 H new ATOM 0 HG22 VAL A 129 11.388 4.232 -3.057 1.00 1.48 H new ATOM 0 HG23 VAL A 129 12.928 5.023 -3.471 1.00 1.48 H new ATOM 2083 N ARG A 130 12.127 4.067 -8.050 1.00 0.99 N ATOM 2084 CA ARG A 130 11.691 3.993 -9.448 1.00 1.14 C ATOM 2085 C ARG A 130 11.808 2.567 -10.000 1.00 1.05 C ATOM 2086 O ARG A 130 11.215 2.242 -11.031 1.00 1.24 O ATOM 2087 CB ARG A 130 12.496 4.962 -10.323 1.00 1.30 C ATOM 2088 CG ARG A 130 12.064 4.961 -11.784 1.00 1.75 C ATOM 2089 CD ARG A 130 12.891 5.912 -12.636 1.00 1.86 C ATOM 2090 NE ARG A 130 12.655 7.316 -12.301 1.00 2.36 N ATOM 2091 CZ ARG A 130 11.651 8.042 -12.799 1.00 2.92 C ATOM 2092 NH1 ARG A 130 10.721 7.480 -13.563 1.00 3.04 N ATOM 2093 NH2 ARG A 130 11.565 9.331 -12.524 1.00 3.83 N ATOM 0 H ARG A 130 12.958 4.640 -7.901 1.00 0.99 H new ATOM 0 HA ARG A 130 10.641 4.283 -9.475 1.00 1.14 H new ATOM 0 HB2 ARG A 130 12.395 5.971 -9.923 1.00 1.30 H new ATOM 0 HB3 ARG A 130 13.553 4.700 -10.264 1.00 1.30 H new ATOM 0 HG2 ARG A 130 12.150 3.951 -12.184 1.00 1.75 H new ATOM 0 HG3 ARG A 130 11.013 5.241 -11.849 1.00 1.75 H new ATOM 0 HD2 ARG A 130 13.949 5.684 -12.506 1.00 1.86 H new ATOM 0 HD3 ARG A 130 12.657 5.749 -13.688 1.00 1.86 H new ATOM 0 HE ARG A 130 13.295 7.767 -11.648 1.00 2.36 H new ATOM 0 HH11 ARG A 130 10.769 6.483 -13.775 1.00 3.04 H new ATOM 0 HH12 ARG A 130 9.959 8.045 -13.938 1.00 3.04 H new ATOM 0 HH21 ARG A 130 12.266 9.774 -11.930 1.00 3.83 H new ATOM 0 HH22 ARG A 130 10.797 9.884 -12.905 1.00 3.83 H new ATOM 2107 N ASN A 131 12.561 1.719 -9.300 1.00 0.85 N ATOM 2108 CA ASN A 131 12.772 0.323 -9.707 1.00 0.88 C ATOM 2109 C ASN A 131 11.458 -0.415 -9.971 1.00 1.08 C ATOM 2110 O ASN A 131 11.447 -1.429 -10.667 1.00 1.24 O ATOM 2111 CB ASN A 131 13.579 -0.443 -8.647 1.00 0.88 C ATOM 2112 CG ASN A 131 15.065 -0.152 -8.709 1.00 1.70 C ATOM 2113 OD1 ASN A 131 15.485 0.928 -9.114 1.00 2.48 O ATOM 2114 ND2 ASN A 131 15.875 -1.118 -8.300 1.00 2.04 N ATOM 0 H ASN A 131 13.042 1.975 -8.438 1.00 0.85 H new ATOM 0 HA ASN A 131 13.333 0.359 -10.641 1.00 0.88 H new ATOM 0 HB2 ASN A 131 13.205 -0.184 -7.656 1.00 0.88 H new ATOM 0 HB3 ASN A 131 13.418 -1.513 -8.779 1.00 0.88 H new ATOM 0 HD21 ASN A 131 16.885 -0.977 -8.315 1.00 2.04 H new ATOM 0 HD22 ASN A 131 15.488 -2.002 -7.970 1.00 2.04 H new ATOM 2121 N GLY A 132 10.358 0.077 -9.410 1.00 1.23 N ATOM 2122 CA GLY A 132 9.081 -0.583 -9.614 1.00 1.61 C ATOM 2123 C GLY A 132 7.881 0.215 -9.131 1.00 1.21 C ATOM 2124 O GLY A 132 6.785 0.061 -9.666 1.00 1.24 O ATOM 0 H GLY A 132 10.327 0.911 -8.824 1.00 1.23 H new ATOM 0 HA2 GLY A 132 8.959 -0.793 -10.677 1.00 1.61 H new ATOM 0 HA3 GLY A 132 9.095 -1.544 -9.099 1.00 1.61 H new ATOM 2128 N MET A 133 8.075 1.065 -8.122 1.00 1.24 N ATOM 2129 CA MET A 133 6.967 1.826 -7.541 1.00 1.38 C ATOM 2130 C MET A 133 6.333 2.727 -8.597 1.00 1.35 C ATOM 2131 O MET A 133 5.114 2.812 -8.688 1.00 1.56 O ATOM 2132 CB MET A 133 7.463 2.664 -6.349 1.00 2.06 C ATOM 2133 CG MET A 133 6.359 3.314 -5.509 1.00 2.92 C ATOM 2134 SD MET A 133 5.512 4.686 -6.330 1.00 3.99 S ATOM 2135 CE MET A 133 6.852 5.851 -6.575 1.00 4.83 C ATOM 0 H MET A 133 8.983 1.244 -7.692 1.00 1.24 H new ATOM 0 HA MET A 133 6.212 1.126 -7.183 1.00 1.38 H new ATOM 0 HB2 MET A 133 8.064 2.026 -5.701 1.00 2.06 H new ATOM 0 HB3 MET A 133 8.122 3.447 -6.724 1.00 2.06 H new ATOM 0 HG2 MET A 133 5.624 2.554 -5.245 1.00 2.92 H new ATOM 0 HG3 MET A 133 6.793 3.675 -4.577 1.00 2.92 H new ATOM 0 HE1 MET A 133 6.447 6.807 -6.906 1.00 4.83 H new ATOM 0 HE2 MET A 133 7.390 5.990 -5.637 1.00 4.83 H new ATOM 0 HE3 MET A 133 7.536 5.465 -7.331 1.00 4.83 H new ATOM 2145 N ASP A 134 7.180 3.345 -9.423 1.00 1.38 N ATOM 2146 CA ASP A 134 6.740 4.340 -10.412 1.00 1.84 C ATOM 2147 C ASP A 134 5.654 3.795 -11.346 1.00 1.95 C ATOM 2148 O ASP A 134 4.833 4.551 -11.866 1.00 2.41 O ATOM 2149 CB ASP A 134 7.943 4.819 -11.229 1.00 2.05 C ATOM 2150 CG ASP A 134 7.577 5.886 -12.245 1.00 2.29 C ATOM 2151 OD1 ASP A 134 7.199 7.004 -11.834 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.684 5.614 -13.461 1.00 2.28 O ATOM 0 H ASP A 134 8.185 3.173 -9.428 1.00 1.38 H new ATOM 0 HA ASP A 134 6.303 5.176 -9.866 1.00 1.84 H new ATOM 0 HB2 ASP A 134 8.702 5.213 -10.553 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.387 3.968 -11.746 1.00 2.05 H new ATOM 2157 N LYS A 135 5.642 2.487 -11.554 1.00 1.70 N ATOM 2158 CA LYS A 135 4.631 1.866 -12.402 1.00 2.03 C ATOM 2159 C LYS A 135 3.610 1.092 -11.577 1.00 1.70 C ATOM 2160 O LYS A 135 2.403 1.232 -11.769 1.00 2.17 O ATOM 2161 CB LYS A 135 5.283 0.921 -13.410 1.00 2.40 C ATOM 2162 CG LYS A 135 6.108 1.621 -14.476 1.00 3.08 C ATOM 2163 CD LYS A 135 6.680 0.626 -15.474 1.00 3.44 C ATOM 2164 CE LYS A 135 5.582 -0.161 -16.180 1.00 3.61 C ATOM 2165 NZ LYS A 135 4.699 0.710 -16.999 1.00 4.15 N ATOM 0 H LYS A 135 6.316 1.836 -11.151 1.00 1.70 H new ATOM 0 HA LYS A 135 4.116 2.668 -12.932 1.00 2.03 H new ATOM 0 HB2 LYS A 135 5.923 0.220 -12.873 1.00 2.40 H new ATOM 0 HB3 LYS A 135 4.504 0.333 -13.897 1.00 2.40 H new ATOM 0 HG2 LYS A 135 5.488 2.349 -14.999 1.00 3.08 H new ATOM 0 HG3 LYS A 135 6.920 2.175 -14.005 1.00 3.08 H new ATOM 0 HD2 LYS A 135 7.280 1.157 -16.213 1.00 3.44 H new ATOM 0 HD3 LYS A 135 7.347 -0.064 -14.958 1.00 3.44 H new ATOM 0 HE2 LYS A 135 6.035 -0.918 -16.819 1.00 3.61 H new ATOM 0 HE3 LYS A 135 4.982 -0.688 -15.438 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 4.045 0.120 -17.551 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 4.155 1.339 -16.374 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 5.279 1.282 -17.646 1.00 4.15 H new ATOM 2179 N GLY A 136 4.103 0.288 -10.649 1.00 1.04 N ATOM 2180 CA GLY A 136 3.252 -0.621 -9.910 1.00 0.79 C ATOM 2181 C GLY A 136 2.251 0.085 -9.028 1.00 0.65 C ATOM 2182 O GLY A 136 1.056 -0.140 -9.161 1.00 0.57 O ATOM 0 H GLY A 136 5.089 0.249 -10.392 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.719 -1.262 -10.613 1.00 0.79 H new ATOM 0 HA3 GLY A 136 3.874 -1.271 -9.295 1.00 0.79 H new ATOM 2186 N TRP A 137 2.731 0.961 -8.156 1.00 0.68 N ATOM 2187 CA TRP A 137 1.886 1.569 -7.129 1.00 0.67 C ATOM 2188 C TRP A 137 0.726 2.376 -7.739 1.00 0.57 C ATOM 2189 O TRP A 137 -0.426 2.170 -7.356 1.00 0.56 O ATOM 2190 CB TRP A 137 2.732 2.433 -6.188 1.00 0.81 C ATOM 2191 CG TRP A 137 2.097 2.663 -4.851 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.493 1.726 -4.064 1.00 1.62 C ATOM 2193 CD2 TRP A 137 2.024 3.899 -4.133 1.00 0.93 C ATOM 2194 NE1 TRP A 137 1.039 2.305 -2.906 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.354 3.638 -2.922 1.00 0.98 C ATOM 2196 CE3 TRP A 137 2.458 5.203 -4.394 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 1.110 4.633 -1.977 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 2.215 6.188 -3.454 1.00 2.78 C ATOM 2199 CH2 TRP A 137 1.547 5.898 -2.259 1.00 2.32 C ATOM 0 H TRP A 137 3.703 1.269 -8.137 1.00 0.68 H new ATOM 0 HA TRP A 137 1.435 0.764 -6.549 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.701 1.956 -6.043 1.00 0.81 H new ATOM 0 HB3 TRP A 137 2.919 3.396 -6.663 1.00 0.81 H new ATOM 0 HD1 TRP A 137 1.388 0.681 -4.316 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.547 1.821 -2.155 1.00 1.62 H new ATOM 0 HE3 TRP A 137 2.974 5.437 -5.314 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 0.594 4.413 -1.054 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 2.546 7.198 -3.645 1.00 2.78 H new ATOM 0 HH2 TRP A 137 1.373 6.689 -1.545 1.00 2.32 H new ATOM 2210 N PRO A 138 0.988 3.299 -8.694 1.00 0.58 N ATOM 2211 CA PRO A 138 -0.083 4.009 -9.397 1.00 0.61 C ATOM 2212 C PRO A 138 -1.036 3.052 -10.109 1.00 0.58 C ATOM 2213 O PRO A 138 -2.254 3.226 -10.046 1.00 0.64 O ATOM 2214 CB PRO A 138 0.648 4.895 -10.412 1.00 0.68 C ATOM 2215 CG PRO A 138 2.032 4.354 -10.483 1.00 0.66 C ATOM 2216 CD PRO A 138 2.313 3.754 -9.139 1.00 0.63 C ATOM 0 HA PRO A 138 -0.705 4.578 -8.706 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.162 4.859 -11.387 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.649 5.938 -10.094 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.118 3.605 -11.270 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.747 5.143 -10.715 1.00 0.66 H new ATOM 0 HD2 PRO A 138 3.021 2.928 -9.206 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.740 4.485 -8.452 1.00 0.63 H new ATOM 2224 N THR A 139 -0.487 2.025 -10.760 1.00 0.57 N ATOM 2225 CA THR A 139 -1.317 1.058 -11.468 1.00 0.62 C ATOM 2226 C THR A 139 -2.180 0.281 -10.475 1.00 0.54 C ATOM 2227 O THR A 139 -3.342 -0.048 -10.751 1.00 0.55 O ATOM 2228 CB THR A 139 -0.455 0.094 -12.311 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.266 0.837 -13.304 1.00 0.81 O ATOM 2230 CG2 THR A 139 -1.309 -0.964 -12.995 1.00 0.87 C ATOM 0 H THR A 139 0.516 1.845 -10.810 1.00 0.57 H new ATOM 0 HA THR A 139 -1.969 1.602 -12.151 1.00 0.62 H new ATOM 0 HB THR A 139 0.240 -0.410 -11.640 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.006 1.319 -12.879 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.670 -1.625 -13.580 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.840 -1.546 -12.242 1.00 0.87 H new ATOM 0 HG23 THR A 139 -2.030 -0.480 -13.654 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.611 0.031 -9.300 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.331 -0.603 -8.209 1.00 0.47 C ATOM 2240 C ILE A 140 -3.574 0.198 -7.861 1.00 0.42 C ATOM 2241 O ILE A 140 -4.657 -0.359 -7.748 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.444 -0.770 -6.949 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.350 -1.815 -7.202 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.282 -1.162 -5.738 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.547 -2.073 -6.009 1.00 0.72 C ATOM 0 H ILE A 140 -0.642 0.262 -9.081 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.621 -1.598 -8.547 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.972 0.189 -6.737 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.820 -2.753 -7.499 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.264 -1.487 -8.040 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.635 -1.273 -4.868 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -3.024 -0.387 -5.543 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.788 -2.107 -5.936 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.293 -2.824 -6.270 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.048 -1.148 -5.723 1.00 0.72 H new ATOM 0 HD13 ILE A 140 -0.053 -2.434 -5.174 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.413 1.509 -7.753 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.492 2.392 -7.320 1.00 0.36 C ATOM 2259 C LEU A 141 -5.681 2.367 -8.282 1.00 0.38 C ATOM 2260 O LEU A 141 -6.829 2.547 -7.869 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.972 3.822 -7.175 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.802 3.994 -6.207 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.444 5.467 -6.069 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.129 3.380 -4.848 1.00 0.56 C ATOM 0 H LEU A 141 -2.538 1.990 -7.961 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.843 2.027 -6.355 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.666 4.182 -8.157 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.793 4.458 -6.844 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.937 3.468 -6.611 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.609 5.575 -5.377 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.161 5.866 -7.043 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.305 6.017 -5.688 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.282 3.514 -4.175 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.007 3.871 -4.429 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.332 2.316 -4.969 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.412 2.151 -9.562 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.479 2.099 -10.556 1.00 0.48 C ATOM 2278 C GLN A 142 -7.255 0.792 -10.459 1.00 0.47 C ATOM 2279 O GLN A 142 -8.479 0.797 -10.308 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.929 2.297 -11.970 1.00 0.58 C ATOM 2281 CG GLN A 142 -5.836 3.758 -12.383 1.00 0.88 C ATOM 2282 CD GLN A 142 -4.736 4.512 -11.665 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -3.612 4.609 -12.160 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -5.041 5.029 -10.483 1.00 0.77 N ATOM 0 H GLN A 142 -4.474 2.010 -9.936 1.00 0.43 H new ATOM 0 HA GLN A 142 -7.166 2.918 -10.344 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.939 1.846 -12.033 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.567 1.767 -12.677 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -5.665 3.815 -13.458 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -6.791 4.246 -12.186 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -5.984 4.926 -10.109 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -4.332 5.530 -9.947 1.00 0.77 H new ATOM 2293 N SER A 143 -6.541 -0.324 -10.518 1.00 0.49 N ATOM 2294 CA SER A 143 -7.166 -1.634 -10.373 1.00 0.53 C ATOM 2295 C SER A 143 -7.751 -1.788 -8.968 1.00 0.45 C ATOM 2296 O SER A 143 -8.665 -2.585 -8.742 1.00 0.46 O ATOM 2297 CB SER A 143 -6.143 -2.728 -10.664 1.00 0.64 C ATOM 2298 OG SER A 143 -5.652 -2.621 -11.990 1.00 1.15 O ATOM 0 H SER A 143 -5.532 -0.350 -10.665 1.00 0.49 H new ATOM 0 HA SER A 143 -7.983 -1.726 -11.089 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.315 -2.655 -9.958 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.600 -3.707 -10.519 1.00 0.64 H new ATOM 0 HG SER A 143 -4.997 -3.331 -12.154 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.205 -1.012 -8.039 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.713 -0.926 -6.676 1.00 0.36 C ATOM 2306 C PHE A 144 -9.161 -0.459 -6.687 1.00 0.32 C ATOM 2307 O PHE A 144 -10.054 -1.164 -6.227 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.863 0.085 -5.901 1.00 0.35 C ATOM 2309 CG PHE A 144 -6.308 -0.417 -4.606 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -5.559 -1.581 -4.565 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -6.505 0.292 -3.435 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -5.017 -2.030 -3.377 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -5.970 -0.154 -2.244 1.00 0.68 C ATOM 2314 CZ PHE A 144 -5.223 -1.317 -2.215 1.00 0.78 C ATOM 0 H PHE A 144 -6.392 -0.421 -8.212 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.661 -1.907 -6.204 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -6.035 0.403 -6.535 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -7.469 0.969 -5.701 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -5.397 -2.144 -5.472 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.083 1.204 -3.453 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -4.433 -2.938 -3.358 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -6.135 0.405 -1.335 1.00 0.68 H new ATOM 0 HZ PHE A 144 -4.802 -1.666 -1.284 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.383 0.710 -7.282 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.718 1.295 -7.378 1.00 0.31 C ATOM 2326 C GLN A 145 -11.642 0.415 -8.215 1.00 0.35 C ATOM 2327 O GLN A 145 -12.861 0.445 -8.044 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.628 2.694 -7.984 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.931 3.689 -7.072 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.555 4.976 -7.777 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -10.321 5.937 -7.797 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -8.369 5.006 -8.361 1.00 0.66 N ATOM 0 H GLN A 145 -8.649 1.275 -7.708 1.00 0.29 H new ATOM 0 HA GLN A 145 -11.137 1.365 -6.374 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -10.092 2.640 -8.932 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.633 3.054 -8.206 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.583 3.920 -6.230 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -9.031 3.230 -6.662 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.761 4.188 -8.323 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -8.062 5.847 -8.850 1.00 0.66 H new ATOM 2341 N ASP A 146 -11.055 -0.374 -9.108 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.827 -1.264 -9.970 1.00 0.43 C ATOM 2343 C ASP A 146 -12.400 -2.437 -9.180 1.00 0.40 C ATOM 2344 O ASP A 146 -13.599 -2.712 -9.266 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.971 -1.772 -11.130 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.766 -2.613 -12.105 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -12.764 -2.103 -12.663 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -11.392 -3.779 -12.336 1.00 1.46 O ATOM 0 H ASP A 146 -10.046 -0.416 -9.255 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.659 -0.690 -10.378 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.536 -0.923 -11.657 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -10.143 -2.361 -10.737 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.563 -3.119 -8.398 1.00 0.42 N ATOM 2354 CA LYS A 147 -12.044 -4.226 -7.585 1.00 0.51 C ATOM 2355 C LYS A 147 -12.964 -3.713 -6.477 1.00 0.48 C ATOM 2356 O LYS A 147 -13.936 -4.374 -6.105 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.882 -5.018 -6.982 1.00 0.64 C ATOM 2358 CG LYS A 147 -11.334 -6.300 -6.306 1.00 0.92 C ATOM 2359 CD LYS A 147 -11.896 -7.283 -7.313 1.00 1.03 C ATOM 2360 CE LYS A 147 -12.474 -8.517 -6.648 1.00 1.25 C ATOM 2361 NZ LYS A 147 -12.992 -9.476 -7.657 1.00 1.74 N ATOM 0 H LYS A 147 -10.565 -2.926 -8.313 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.609 -4.896 -8.233 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -10.166 -5.259 -7.768 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -10.360 -4.394 -6.256 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -10.493 -6.754 -5.782 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -12.091 -6.071 -5.556 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -12.671 -6.793 -7.903 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -11.109 -7.581 -8.006 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -11.707 -9.000 -6.043 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -13.278 -8.226 -5.972 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -13.487 -10.254 -7.175 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -13.653 -8.987 -8.294 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -12.199 -9.860 -8.210 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.662 -2.525 -5.960 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.508 -1.898 -4.952 1.00 0.40 C ATOM 2377 C ILE A 148 -14.853 -1.502 -5.558 1.00 0.42 C ATOM 2378 O ILE A 148 -15.874 -1.485 -4.876 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.838 -0.652 -4.336 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.513 -1.023 -3.673 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -13.758 0.003 -3.323 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -10.752 0.168 -3.126 1.00 0.37 C ATOM 0 H ILE A 148 -11.841 -1.980 -6.222 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.662 -2.630 -4.159 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.640 0.056 -5.140 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -11.707 -1.724 -2.861 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -10.886 -1.542 -4.399 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.268 0.880 -2.900 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.683 0.306 -3.814 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -13.985 -0.705 -2.526 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -9.822 -0.172 -2.670 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.526 0.860 -3.938 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.359 0.675 -2.376 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.849 -1.202 -6.851 1.00 0.41 N ATOM 2395 CA ASP A 149 -16.077 -0.862 -7.560 1.00 0.49 C ATOM 2396 C ASP A 149 -17.012 -2.065 -7.566 1.00 0.55 C ATOM 2397 O ASP A 149 -18.230 -1.922 -7.525 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.763 -0.420 -8.991 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.931 0.275 -9.666 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -17.101 1.492 -9.472 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -17.709 -0.410 -10.362 1.00 0.77 O ATOM 0 H ASP A 149 -14.009 -1.187 -7.430 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.567 -0.033 -7.049 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.905 0.253 -8.978 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.476 -1.291 -9.580 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.416 -3.257 -7.576 1.00 0.57 N ATOM 2407 CA GLU A 150 -17.163 -4.507 -7.498 1.00 0.68 C ATOM 2408 C GLU A 150 -17.749 -4.677 -6.097 1.00 0.75 C ATOM 2409 O GLU A 150 -18.801 -5.290 -5.912 1.00 0.89 O ATOM 2410 CB GLU A 150 -16.246 -5.686 -7.826 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.629 -5.622 -9.214 1.00 0.78 C ATOM 2412 CD GLU A 150 -14.507 -6.624 -9.400 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -13.391 -6.213 -9.791 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -14.734 -7.826 -9.160 1.00 1.50 O ATOM 0 H GLU A 150 -15.405 -3.381 -7.638 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.977 -4.479 -8.223 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -15.447 -5.728 -7.086 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.814 -6.612 -7.735 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -16.402 -5.805 -9.960 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -15.247 -4.617 -9.392 1.00 0.78 H new ATOM 2421 N GLU A 151 -17.051 -4.121 -5.118 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.505 -4.138 -3.730 1.00 0.84 C ATOM 2423 C GLU A 151 -18.562 -3.062 -3.514 1.00 0.88 C ATOM 2424 O GLU A 151 -19.380 -3.145 -2.601 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.327 -3.921 -2.771 1.00 0.86 C ATOM 2426 CG GLU A 151 -15.330 -5.070 -2.759 1.00 0.95 C ATOM 2427 CD GLU A 151 -15.955 -6.370 -2.292 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -16.383 -7.171 -3.152 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -16.028 -6.593 -1.067 1.00 1.63 O ATOM 0 H GLU A 151 -16.159 -3.647 -5.259 1.00 0.72 H new ATOM 0 HA GLU A 151 -17.942 -5.114 -3.521 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -15.808 -3.004 -3.049 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -16.713 -3.776 -1.762 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -14.922 -5.205 -3.761 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -14.495 -4.816 -2.107 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.534 -2.052 -4.369 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.532 -1.003 -4.322 1.00 0.96 C ATOM 2438 C GLY A 152 -20.633 -1.244 -5.326 1.00 1.04 C ATOM 2439 O GLY A 152 -21.320 -0.304 -5.740 1.00 1.32 O ATOM 0 H GLY A 152 -17.832 -1.939 -5.101 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -19.957 -0.948 -3.320 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.060 -0.041 -4.521 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.779 -2.516 -5.706 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.766 -2.962 -6.686 1.00 1.47 C ATOM 2445 C ALA A 153 -21.350 -2.551 -8.091 1.00 1.29 C ATOM 2446 O ALA A 153 -21.761 -1.507 -8.597 1.00 1.70 O ATOM 2447 CB ALA A 153 -23.167 -2.457 -6.350 1.00 1.92 C ATOM 0 H ALA A 153 -20.206 -3.274 -5.335 1.00 1.14 H new ATOM 0 HA ALA A 153 -21.804 -4.051 -6.647 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -23.871 -2.811 -7.103 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -23.464 -2.832 -5.371 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -23.167 -1.367 -6.336 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.518 -3.382 -8.706 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.985 -3.113 -10.034 1.00 1.02 C ATOM 2455 C LYS A 154 -21.070 -3.322 -11.087 1.00 1.38 C ATOM 2456 O LYS A 154 -21.440 -4.458 -11.397 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.768 -4.019 -10.296 1.00 0.91 C ATOM 2458 CG LYS A 154 -18.345 -4.117 -11.755 1.00 1.02 C ATOM 2459 CD LYS A 154 -17.574 -2.891 -12.215 1.00 0.95 C ATOM 2460 CE LYS A 154 -16.147 -2.882 -11.681 1.00 0.73 C ATOM 2461 NZ LYS A 154 -15.367 -1.736 -12.217 1.00 1.32 N ATOM 0 H LYS A 154 -20.195 -4.259 -8.299 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.658 -2.075 -10.093 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.925 -3.649 -9.712 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.993 -5.021 -9.930 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -17.728 -5.005 -11.893 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -19.229 -4.243 -12.380 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -17.554 -2.863 -13.304 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -18.091 -1.991 -11.882 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -16.166 -2.832 -10.592 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -15.652 -3.816 -11.948 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -14.350 -1.941 -12.138 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -15.613 -1.586 -13.216 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -15.591 -0.879 -11.673 1.00 1.32 H new ATOM 2475 N LYS A 155 -21.587 -2.221 -11.610 1.00 1.82 N ATOM 2476 CA LYS A 155 -22.679 -2.261 -12.568 1.00 2.44 C ATOM 2477 C LYS A 155 -22.510 -1.162 -13.615 1.00 3.14 C ATOM 2478 O LYS A 155 -23.362 -0.251 -13.692 1.00 3.71 O ATOM 2479 CB LYS A 155 -24.015 -2.114 -11.826 1.00 2.82 C ATOM 2480 CG LYS A 155 -24.070 -0.901 -10.903 1.00 2.95 C ATOM 2481 CD LYS A 155 -25.358 -0.858 -10.097 1.00 3.46 C ATOM 2482 CE LYS A 155 -25.447 -2.021 -9.121 1.00 3.45 C ATOM 2483 NZ LYS A 155 -26.652 -1.927 -8.257 1.00 4.22 N ATOM 2484 OXT LYS A 155 -21.505 -1.201 -14.352 1.00 3.60 O ATOM 0 H LYS A 155 -21.263 -1.281 -11.384 1.00 1.82 H new ATOM 0 HA LYS A 155 -22.670 -3.219 -13.088 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -24.821 -2.041 -12.556 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -24.197 -3.015 -11.240 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -23.218 -0.923 -10.224 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -23.982 0.010 -11.495 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -25.414 0.083 -9.549 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -26.212 -0.884 -10.774 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -25.470 -2.959 -9.675 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -24.553 -2.041 -8.497 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -26.676 -2.738 -7.606 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -26.618 -1.044 -7.709 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -27.506 -1.934 -8.850 1.00 4.22 H new