USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 851 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 34 TYR OH : rot 26:sc= -3.66! USER MOD Set 1.2: A 88 ASN : amide:sc= -0.0508 X(o=-3.7,f=-3.9) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -106:sc= -1.43 (180deg=-5.15!) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ARG N :NH3+ -166:sc=-0.00446 (180deg=-0.204) USER MOD Single : A 5 HIS : no HD1:sc= -0.0838 X(o=-0.084,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-3.5!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 8 HIS : no HD1:sc= 0.00256 X(o=0.0026,f=-0.41) USER MOD Single : A 9 HIS : no HE2:sc= -0.627 K(o=-0.63,f=-5.1!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 16 THR OG1 : rot -161:sc= -1.61! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -3.07! C(o=-3.1!,f=-9.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -69:sc= -3.62! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -27:sc= 0.447 USER MOD Single : A 48 GLN : amide:sc= -6.05! C(o=-6!,f=-5.4!) USER MOD Single : A 49 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=-0.11) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.4!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc=-0.00297 K(o=-0.003,f=-1.3) USER MOD Single : A 81 MET CE :methyl -133:sc= -1.06 (180deg=-2.74!) USER MOD Single : A 82 SER OG : rot 107:sc= -5.11! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 155:sc= -0.233 (180deg=-1.67!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -1.99 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 30:sc= 0.262 USER MOD Single : A 105 LYS NZ :NH3+ -153:sc= -0.392 (180deg=-1.98!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -12.828 -4.789 -25.589 1.00 0.00 N ATOM 2 CA ARG A 1 -14.198 -4.279 -25.303 1.00 0.00 C ATOM 3 C ARG A 1 -14.103 -2.883 -24.683 1.00 0.00 C ATOM 4 O ARG A 1 -14.129 -1.883 -25.373 1.00 0.00 O ATOM 5 CB ARG A 1 -14.902 -5.224 -24.328 1.00 0.00 C ATOM 6 CG ARG A 1 -15.191 -6.554 -25.027 1.00 0.00 C ATOM 7 CD ARG A 1 -15.993 -7.459 -24.089 1.00 0.00 C ATOM 8 NE ARG A 1 -16.106 -8.819 -24.689 1.00 0.00 N ATOM 9 CZ ARG A 1 -15.250 -9.749 -24.364 1.00 0.00 C ATOM 10 NH1 ARG A 1 -14.148 -9.889 -25.046 1.00 0.00 N ATOM 11 NH2 ARG A 1 -15.498 -10.538 -23.354 1.00 0.00 N ATOM 0 H1 ARG A 1 -12.889 -5.616 -26.216 1.00 0.00 H new ATOM 0 H2 ARG A 1 -12.270 -4.044 -26.052 1.00 0.00 H new ATOM 0 H3 ARG A 1 -12.367 -5.064 -24.698 1.00 0.00 H new ATOM 0 HA ARG A 1 -14.767 -4.227 -26.231 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -14.277 -5.390 -23.450 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -15.831 -4.776 -23.977 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -15.749 -6.380 -25.947 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -14.257 -7.040 -25.308 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -15.504 -7.518 -23.117 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -16.985 -7.040 -23.922 1.00 0.00 H new ATOM 0 HE ARG A 1 -16.852 -9.023 -25.354 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -13.954 -9.271 -25.834 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -13.480 -10.616 -24.791 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -16.360 -10.427 -22.820 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -14.830 -11.265 -23.099 1.00 0.00 H new ATOM 27 N GLY A 2 -13.992 -2.807 -23.384 1.00 0.00 N ATOM 28 CA GLY A 2 -13.894 -1.476 -22.722 1.00 0.00 C ATOM 29 C GLY A 2 -15.173 -1.205 -21.928 1.00 0.00 C ATOM 30 O GLY A 2 -15.626 -0.082 -21.825 1.00 0.00 O ATOM 0 H GLY A 2 -13.965 -3.609 -22.754 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.029 -1.451 -22.059 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.745 -0.697 -23.469 1.00 0.00 H new ATOM 34 N SER A 3 -15.760 -2.226 -21.364 1.00 0.00 N ATOM 35 CA SER A 3 -17.009 -2.024 -20.577 1.00 0.00 C ATOM 36 C SER A 3 -16.668 -1.361 -19.242 1.00 0.00 C ATOM 37 O SER A 3 -17.540 -0.958 -18.497 1.00 0.00 O ATOM 38 CB SER A 3 -17.674 -3.378 -20.319 1.00 0.00 C ATOM 39 OG SER A 3 -16.922 -4.098 -19.354 1.00 0.00 O ATOM 0 H SER A 3 -15.429 -3.189 -21.414 1.00 0.00 H new ATOM 0 HA SER A 3 -17.692 -1.385 -21.137 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.695 -3.232 -19.966 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.736 -3.947 -21.246 1.00 0.00 H new ATOM 0 HG SER A 3 -17.348 -4.965 -19.187 1.00 0.00 H new ATOM 45 N HIS A 4 -15.406 -1.242 -18.932 1.00 0.00 N ATOM 46 CA HIS A 4 -15.010 -0.602 -17.646 1.00 0.00 C ATOM 47 C HIS A 4 -14.375 0.760 -17.931 1.00 0.00 C ATOM 48 O HIS A 4 -13.473 0.879 -18.736 1.00 0.00 O ATOM 49 CB HIS A 4 -13.999 -1.495 -16.921 1.00 0.00 C ATOM 50 CG HIS A 4 -14.628 -2.833 -16.637 1.00 0.00 C ATOM 51 ND1 HIS A 4 -15.620 -2.994 -15.683 1.00 0.00 N ATOM 52 CD2 HIS A 4 -14.416 -4.078 -17.172 1.00 0.00 C ATOM 53 CE1 HIS A 4 -15.966 -4.294 -15.674 1.00 0.00 C ATOM 54 NE2 HIS A 4 -15.262 -5.001 -16.563 1.00 0.00 N ATOM 0 H HIS A 4 -14.632 -1.561 -19.514 1.00 0.00 H new ATOM 0 HA HIS A 4 -15.892 -0.469 -17.019 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.106 -1.623 -17.533 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.683 -1.024 -15.990 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.701 -4.308 -17.948 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.721 -4.715 -15.027 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -15.330 -6.001 -16.754 1.00 0.00 H new ATOM 62 N HIS A 5 -14.841 1.791 -17.280 1.00 0.00 N ATOM 63 CA HIS A 5 -14.264 3.145 -17.518 1.00 0.00 C ATOM 64 C HIS A 5 -13.732 3.715 -16.202 1.00 0.00 C ATOM 65 O HIS A 5 -14.451 3.831 -15.229 1.00 0.00 O ATOM 66 CB HIS A 5 -15.349 4.070 -18.073 1.00 0.00 C ATOM 67 CG HIS A 5 -15.961 3.448 -19.297 1.00 0.00 C ATOM 68 ND1 HIS A 5 -15.347 3.501 -20.540 1.00 0.00 N ATOM 69 CD2 HIS A 5 -17.131 2.754 -19.487 1.00 0.00 C ATOM 70 CE1 HIS A 5 -16.144 2.858 -21.412 1.00 0.00 C ATOM 71 NE2 HIS A 5 -17.244 2.382 -20.823 1.00 0.00 N ATOM 0 H HIS A 5 -15.595 1.755 -16.594 1.00 0.00 H new ATOM 0 HA HIS A 5 -13.447 3.070 -18.236 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -16.116 4.243 -17.318 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -14.922 5.042 -18.321 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -17.854 2.531 -18.716 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -15.921 2.741 -22.462 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -18.003 1.859 -21.259 1.00 0.00 H new ATOM 79 N HIS A 6 -12.479 4.074 -16.165 1.00 0.00 N ATOM 80 CA HIS A 6 -11.901 4.640 -14.914 1.00 0.00 C ATOM 81 C HIS A 6 -11.097 5.897 -15.249 1.00 0.00 C ATOM 82 O HIS A 6 -10.818 6.177 -16.398 1.00 0.00 O ATOM 83 CB HIS A 6 -10.982 3.604 -14.262 1.00 0.00 C ATOM 84 CG HIS A 6 -11.739 2.321 -14.057 1.00 0.00 C ATOM 85 ND1 HIS A 6 -12.264 1.960 -12.826 1.00 0.00 N ATOM 86 CD2 HIS A 6 -12.067 1.302 -14.918 1.00 0.00 C ATOM 87 CE1 HIS A 6 -12.875 0.770 -12.978 1.00 0.00 C ATOM 88 NE2 HIS A 6 -12.784 0.325 -14.234 1.00 0.00 N ATOM 0 H HIS A 6 -11.829 4.000 -16.948 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.705 4.896 -14.224 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.110 3.428 -14.892 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.614 3.978 -13.307 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -12.199 2.498 -11.962 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -11.808 1.265 -15.966 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -13.377 0.240 -12.182 1.00 0.00 H new ATOM 96 N HIS A 7 -10.723 6.657 -14.257 1.00 0.00 N ATOM 97 CA HIS A 7 -9.939 7.896 -14.524 1.00 0.00 C ATOM 98 C HIS A 7 -8.621 7.842 -13.747 1.00 0.00 C ATOM 99 O HIS A 7 -8.538 8.277 -12.615 1.00 0.00 O ATOM 100 CB HIS A 7 -10.746 9.117 -14.078 1.00 0.00 C ATOM 101 CG HIS A 7 -11.858 9.366 -15.059 1.00 0.00 C ATOM 102 ND1 HIS A 7 -11.616 9.760 -16.366 1.00 0.00 N ATOM 103 CD2 HIS A 7 -13.223 9.279 -14.939 1.00 0.00 C ATOM 104 CE1 HIS A 7 -12.808 9.896 -16.975 1.00 0.00 C ATOM 105 NE2 HIS A 7 -13.822 9.615 -16.151 1.00 0.00 N ATOM 0 H HIS A 7 -10.926 6.474 -13.274 1.00 0.00 H new ATOM 0 HA HIS A 7 -9.729 7.971 -15.591 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.156 8.952 -13.081 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.099 9.992 -14.016 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.752 8.994 -14.042 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.931 10.196 -18.005 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -14.819 9.641 -16.364 1.00 0.00 H new ATOM 113 N HIS A 8 -7.590 7.312 -14.346 1.00 0.00 N ATOM 114 CA HIS A 8 -6.280 7.230 -13.641 1.00 0.00 C ATOM 115 C HIS A 8 -5.902 8.612 -13.106 1.00 0.00 C ATOM 116 O HIS A 8 -5.156 8.739 -12.154 1.00 0.00 O ATOM 117 CB HIS A 8 -5.204 6.752 -14.618 1.00 0.00 C ATOM 118 CG HIS A 8 -5.361 5.274 -14.854 1.00 0.00 C ATOM 119 ND1 HIS A 8 -6.369 4.757 -15.653 1.00 0.00 N ATOM 120 CD2 HIS A 8 -4.646 4.192 -14.405 1.00 0.00 C ATOM 121 CE1 HIS A 8 -6.233 3.418 -15.660 1.00 0.00 C ATOM 122 NE2 HIS A 8 -5.198 3.021 -14.915 1.00 0.00 N ATOM 0 H HIS A 8 -7.598 6.932 -15.293 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.357 6.527 -12.812 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.288 7.292 -15.561 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.213 6.964 -14.216 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.785 4.242 -13.754 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.882 2.746 -16.202 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.881 2.065 -14.754 1.00 0.00 H new ATOM 130 N HIS A 9 -6.410 9.651 -13.710 1.00 0.00 N ATOM 131 CA HIS A 9 -6.079 11.025 -13.237 1.00 0.00 C ATOM 132 C HIS A 9 -7.366 11.835 -13.077 1.00 0.00 C ATOM 133 O HIS A 9 -8.300 11.692 -13.843 1.00 0.00 O ATOM 134 CB HIS A 9 -5.167 11.710 -14.257 1.00 0.00 C ATOM 135 CG HIS A 9 -3.807 11.068 -14.223 1.00 0.00 C ATOM 136 ND1 HIS A 9 -3.379 10.301 -13.151 1.00 0.00 N ATOM 137 CD2 HIS A 9 -2.769 11.068 -15.122 1.00 0.00 C ATOM 138 CE1 HIS A 9 -2.133 9.876 -13.428 1.00 0.00 C ATOM 139 NE2 HIS A 9 -1.713 10.316 -14.618 1.00 0.00 N ATOM 0 H HIS A 9 -7.040 9.608 -14.511 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.568 10.964 -12.276 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.595 11.628 -15.256 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.085 12.773 -14.031 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -3.912 10.096 -12.306 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -2.772 11.575 -16.076 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.544 9.255 -12.769 1.00 0.00 H new ATOM 147 N GLY A 10 -7.425 12.686 -12.090 1.00 0.00 N ATOM 148 CA GLY A 10 -8.653 13.504 -11.882 1.00 0.00 C ATOM 149 C GLY A 10 -9.236 13.203 -10.501 1.00 0.00 C ATOM 150 O GLY A 10 -10.042 13.948 -9.980 1.00 0.00 O ATOM 0 H GLY A 10 -6.675 12.850 -11.418 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.415 14.564 -11.965 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.388 13.280 -12.656 1.00 0.00 H new ATOM 154 N SER A 11 -8.834 12.115 -9.901 1.00 0.00 N ATOM 155 CA SER A 11 -9.365 11.767 -8.554 1.00 0.00 C ATOM 156 C SER A 11 -8.945 12.841 -7.548 1.00 0.00 C ATOM 157 O SER A 11 -9.428 12.884 -6.434 1.00 0.00 O ATOM 158 CB SER A 11 -8.802 10.412 -8.118 1.00 0.00 C ATOM 159 OG SER A 11 -9.014 9.457 -9.148 1.00 0.00 O ATOM 0 H SER A 11 -8.161 11.453 -10.286 1.00 0.00 H new ATOM 0 HA SER A 11 -10.453 11.712 -8.595 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.737 10.501 -7.903 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.286 10.084 -7.198 1.00 0.00 H new ATOM 0 HG SER A 11 -8.652 8.590 -8.870 1.00 0.00 H new ATOM 165 N ALA A 12 -8.049 13.708 -7.932 1.00 0.00 N ATOM 166 CA ALA A 12 -7.598 14.778 -6.998 1.00 0.00 C ATOM 167 C ALA A 12 -7.977 16.147 -7.568 1.00 0.00 C ATOM 168 O ALA A 12 -8.986 16.298 -8.228 1.00 0.00 O ATOM 169 CB ALA A 12 -6.079 14.698 -6.830 1.00 0.00 C ATOM 0 H ALA A 12 -7.610 13.722 -8.852 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.080 14.643 -6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.747 15.480 -6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.809 13.723 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.598 14.834 -7.799 1.00 0.00 H new ATOM 175 N VAL A 13 -7.175 17.146 -7.319 1.00 0.00 N ATOM 176 CA VAL A 13 -7.485 18.504 -7.848 1.00 0.00 C ATOM 177 C VAL A 13 -6.316 18.990 -8.706 1.00 0.00 C ATOM 178 O VAL A 13 -5.176 18.969 -8.285 1.00 0.00 O ATOM 179 CB VAL A 13 -7.694 19.472 -6.681 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.362 20.750 -7.192 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.588 18.816 -5.626 1.00 0.00 C ATOM 0 H VAL A 13 -6.317 17.080 -6.771 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.392 18.462 -8.452 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.730 19.718 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.511 21.440 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.725 21.218 -7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.326 20.504 -7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.737 19.506 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.553 18.569 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.112 17.906 -5.261 1.00 0.00 H new ATOM 191 N GLN A 14 -6.582 19.425 -9.907 1.00 0.00 N ATOM 192 CA GLN A 14 -5.476 19.906 -10.782 1.00 0.00 C ATOM 193 C GLN A 14 -5.610 21.414 -10.997 1.00 0.00 C ATOM 194 O GLN A 14 -6.613 21.895 -11.487 1.00 0.00 O ATOM 195 CB GLN A 14 -5.546 19.188 -12.131 1.00 0.00 C ATOM 196 CG GLN A 14 -5.065 17.745 -11.966 1.00 0.00 C ATOM 197 CD GLN A 14 -5.247 16.993 -13.285 1.00 0.00 C ATOM 198 OE1 GLN A 14 -5.071 17.555 -14.348 1.00 0.00 O ATOM 199 NE2 GLN A 14 -5.595 15.736 -13.261 1.00 0.00 N ATOM 0 H GLN A 14 -7.514 19.468 -10.319 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.519 19.694 -10.306 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.568 19.201 -12.509 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.928 19.707 -12.864 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.016 17.732 -11.669 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.627 17.251 -11.173 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.743 15.265 -12.369 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.719 15.225 -14.135 1.00 0.00 H new ATOM 208 N VAL A 15 -4.607 22.165 -10.633 1.00 0.00 N ATOM 209 CA VAL A 15 -4.679 23.643 -10.813 1.00 0.00 C ATOM 210 C VAL A 15 -3.434 24.131 -11.560 1.00 0.00 C ATOM 211 O VAL A 15 -2.332 23.686 -11.307 1.00 0.00 O ATOM 212 CB VAL A 15 -4.752 24.314 -9.442 1.00 0.00 C ATOM 213 CG1 VAL A 15 -5.091 25.796 -9.612 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.833 23.637 -8.599 1.00 0.00 C ATOM 0 H VAL A 15 -3.741 21.820 -10.219 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.567 23.898 -11.392 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.788 24.219 -8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.142 26.272 -8.633 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.319 26.280 -10.210 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.054 25.894 -10.114 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.885 24.116 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.797 23.730 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.589 22.582 -8.474 1.00 0.00 H new ATOM 224 N THR A 16 -3.601 25.042 -12.485 1.00 0.00 N ATOM 225 CA THR A 16 -2.425 25.552 -13.250 1.00 0.00 C ATOM 226 C THR A 16 -2.580 27.056 -13.497 1.00 0.00 C ATOM 227 O THR A 16 -3.673 27.557 -13.672 1.00 0.00 O ATOM 228 CB THR A 16 -2.338 24.824 -14.595 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.480 25.143 -15.377 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.283 23.315 -14.360 1.00 0.00 C ATOM 0 H THR A 16 -4.498 25.453 -12.742 1.00 0.00 H new ATOM 0 HA THR A 16 -1.517 25.372 -12.675 1.00 0.00 H new ATOM 0 HB THR A 16 -1.437 25.138 -15.121 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.589 24.474 -16.084 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.221 22.800 -15.318 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.406 23.072 -13.760 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.183 22.996 -13.834 1.00 0.00 H new ATOM 238 N PHE A 17 -1.492 27.778 -13.515 1.00 0.00 N ATOM 239 CA PHE A 17 -1.568 29.249 -13.750 1.00 0.00 C ATOM 240 C PHE A 17 -0.786 29.611 -15.012 1.00 0.00 C ATOM 241 O PHE A 17 0.408 29.411 -15.084 1.00 0.00 O ATOM 242 CB PHE A 17 -0.943 29.991 -12.569 1.00 0.00 C ATOM 243 CG PHE A 17 -1.727 29.716 -11.312 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.484 28.552 -10.575 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.687 30.635 -10.876 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.204 28.305 -9.402 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.406 30.390 -9.701 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.164 29.223 -8.964 1.00 0.00 C ATOM 0 H PHE A 17 -0.550 27.411 -13.377 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.614 29.533 -13.862 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.092 29.676 -12.438 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.927 31.062 -12.770 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.741 27.845 -10.912 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.873 31.533 -11.446 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.019 27.405 -8.834 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.147 31.099 -9.362 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.719 29.032 -8.057 1.00 0.00 H new ATOM 258 N THR A 18 -1.434 30.158 -16.001 1.00 0.00 N ATOM 259 CA THR A 18 -0.691 30.539 -17.235 1.00 0.00 C ATOM 260 C THR A 18 -0.588 32.065 -17.303 1.00 0.00 C ATOM 261 O THR A 18 -1.360 32.774 -16.689 1.00 0.00 O ATOM 262 CB THR A 18 -1.421 30.009 -18.470 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.712 28.630 -18.291 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.535 30.189 -19.706 1.00 0.00 C ATOM 0 H THR A 18 -2.434 30.356 -16.010 1.00 0.00 H new ATOM 0 HA THR A 18 0.309 30.105 -17.209 1.00 0.00 H new ATOM 0 HB THR A 18 -2.350 30.562 -18.608 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.181 28.289 -19.081 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.056 29.811 -20.585 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.312 31.247 -19.843 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.395 29.637 -19.570 1.00 0.00 H new ATOM 272 N VAL A 19 0.359 32.577 -18.040 1.00 0.00 N ATOM 273 CA VAL A 19 0.505 34.057 -18.138 1.00 0.00 C ATOM 274 C VAL A 19 0.053 34.526 -19.520 1.00 0.00 C ATOM 275 O VAL A 19 0.512 34.035 -20.533 1.00 0.00 O ATOM 276 CB VAL A 19 1.972 34.441 -17.926 1.00 0.00 C ATOM 277 CG1 VAL A 19 2.078 35.952 -17.702 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.518 33.704 -16.701 1.00 0.00 C ATOM 0 H VAL A 19 1.037 32.036 -18.577 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.111 34.532 -17.374 1.00 0.00 H new ATOM 0 HB VAL A 19 2.552 34.164 -18.807 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.122 36.225 -17.551 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.688 36.477 -18.574 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.499 36.231 -16.821 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.562 33.976 -16.548 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.938 33.982 -15.821 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.443 32.628 -16.860 1.00 0.00 H new ATOM 288 N GLN A 20 -0.845 35.470 -19.575 1.00 0.00 N ATOM 289 CA GLN A 20 -1.324 35.964 -20.896 1.00 0.00 C ATOM 290 C GLN A 20 -0.486 37.170 -21.328 1.00 0.00 C ATOM 291 O GLN A 20 0.490 37.521 -20.696 1.00 0.00 O ATOM 292 CB GLN A 20 -2.792 36.379 -20.782 1.00 0.00 C ATOM 293 CG GLN A 20 -3.661 35.402 -21.577 1.00 0.00 C ATOM 294 CD GLN A 20 -3.893 34.136 -20.749 1.00 0.00 C ATOM 295 OE1 GLN A 20 -4.418 34.199 -19.655 1.00 0.00 O ATOM 296 NE2 GLN A 20 -3.521 32.981 -21.228 1.00 0.00 N ATOM 0 H GLN A 20 -1.267 35.920 -18.763 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.225 35.171 -21.637 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.099 36.387 -19.736 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.925 37.392 -21.161 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.615 35.867 -21.826 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.174 35.149 -22.519 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.080 32.928 -22.146 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.671 32.131 -20.684 1.00 0.00 H new ATOM 305 N LYS A 21 -0.861 37.802 -22.404 1.00 0.00 N ATOM 306 CA LYS A 21 -0.094 38.983 -22.891 1.00 0.00 C ATOM 307 C LYS A 21 -0.547 40.243 -22.147 1.00 0.00 C ATOM 308 O LYS A 21 -1.120 41.139 -22.735 1.00 0.00 O ATOM 309 CB LYS A 21 -0.360 39.168 -24.386 1.00 0.00 C ATOM 310 CG LYS A 21 0.056 37.903 -25.139 1.00 0.00 C ATOM 311 CD LYS A 21 0.307 38.245 -26.610 1.00 0.00 C ATOM 312 CE LYS A 21 0.598 36.961 -27.390 1.00 0.00 C ATOM 313 NZ LYS A 21 -0.041 37.041 -28.733 1.00 0.00 N ATOM 0 H LYS A 21 -1.671 37.550 -22.971 1.00 0.00 H new ATOM 0 HA LYS A 21 0.969 38.820 -22.713 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.417 39.374 -24.555 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.196 40.027 -24.762 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.957 37.481 -24.694 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.724 37.146 -25.058 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.563 38.749 -27.031 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.147 38.934 -26.696 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.674 36.822 -27.495 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.217 36.097 -26.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.156 36.169 -29.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.069 37.154 -28.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.343 37.856 -29.252 1.00 0.00 H new ATOM 327 N GLY A 22 -0.307 40.329 -20.866 1.00 0.00 N ATOM 328 CA GLY A 22 -0.746 41.548 -20.127 1.00 0.00 C ATOM 329 C GLY A 22 -0.209 41.541 -18.692 1.00 0.00 C ATOM 330 O GLY A 22 -0.743 42.205 -17.826 1.00 0.00 O ATOM 0 H GLY A 22 0.167 39.620 -20.306 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.394 42.439 -20.647 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.835 41.596 -20.112 1.00 0.00 H new ATOM 334 N SER A 23 0.841 40.812 -18.423 1.00 0.00 N ATOM 335 CA SER A 23 1.383 40.799 -17.034 1.00 0.00 C ATOM 336 C SER A 23 2.110 42.122 -16.768 1.00 0.00 C ATOM 337 O SER A 23 2.761 42.665 -17.637 1.00 0.00 O ATOM 338 CB SER A 23 2.359 39.632 -16.872 1.00 0.00 C ATOM 339 OG SER A 23 1.683 38.411 -17.131 1.00 0.00 O ATOM 0 H SER A 23 1.342 40.232 -19.096 1.00 0.00 H new ATOM 0 HA SER A 23 0.566 40.680 -16.322 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.198 39.748 -17.558 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.770 39.625 -15.863 1.00 0.00 H new ATOM 0 HG SER A 23 1.038 38.236 -16.414 1.00 0.00 H new ATOM 345 N ASP A 24 2.000 42.651 -15.578 1.00 0.00 N ATOM 346 CA ASP A 24 2.684 43.944 -15.274 1.00 0.00 C ATOM 347 C ASP A 24 3.366 43.863 -13.905 1.00 0.00 C ATOM 348 O ASP A 24 3.209 42.901 -13.179 1.00 0.00 O ATOM 349 CB ASP A 24 1.655 45.079 -15.263 1.00 0.00 C ATOM 350 CG ASP A 24 0.392 44.639 -16.007 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.235 43.691 -15.563 1.00 0.00 O ATOM 352 OD2 ASP A 24 0.071 45.258 -17.009 1.00 0.00 O ATOM 0 H ASP A 24 1.469 42.247 -14.806 1.00 0.00 H new ATOM 0 HA ASP A 24 3.435 44.139 -16.040 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.408 45.349 -14.236 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.075 45.968 -15.734 1.00 0.00 H new ATOM 357 N PRO A 25 4.141 44.903 -13.551 1.00 0.00 N ATOM 358 CA PRO A 25 4.857 44.962 -12.269 1.00 0.00 C ATOM 359 C PRO A 25 3.902 45.186 -11.093 1.00 0.00 C ATOM 360 O PRO A 25 4.141 44.732 -9.990 1.00 0.00 O ATOM 361 CB PRO A 25 5.777 46.171 -12.427 1.00 0.00 C ATOM 362 CG PRO A 25 5.103 47.031 -13.442 1.00 0.00 C ATOM 363 CD PRO A 25 4.379 46.100 -14.376 1.00 0.00 C ATOM 0 HA PRO A 25 5.384 44.032 -12.054 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.903 46.699 -11.482 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.771 45.871 -12.759 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.407 47.721 -12.965 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.831 47.635 -13.983 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.445 46.535 -14.732 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.978 45.868 -15.256 1.00 0.00 H new ATOM 371 N LYS A 26 2.817 45.871 -11.323 1.00 0.00 N ATOM 372 CA LYS A 26 1.839 46.115 -10.225 1.00 0.00 C ATOM 373 C LYS A 26 0.522 45.421 -10.577 1.00 0.00 C ATOM 374 O LYS A 26 -0.467 45.542 -9.883 1.00 0.00 O ATOM 375 CB LYS A 26 1.604 47.618 -10.065 1.00 0.00 C ATOM 376 CG LYS A 26 2.943 48.322 -9.836 1.00 0.00 C ATOM 377 CD LYS A 26 2.716 49.833 -9.752 1.00 0.00 C ATOM 378 CE LYS A 26 4.066 50.555 -9.775 1.00 0.00 C ATOM 379 NZ LYS A 26 4.452 50.842 -11.186 1.00 0.00 N ATOM 0 H LYS A 26 2.564 46.273 -12.226 1.00 0.00 H new ATOM 0 HA LYS A 26 2.229 45.718 -9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.118 48.018 -10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.934 47.805 -9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.404 47.961 -8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.631 48.091 -10.649 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.100 50.166 -10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.175 50.080 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.004 51.484 -9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.828 49.940 -9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.369 51.332 -11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.528 49.949 -11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.729 51.445 -11.628 1.00 0.00 H new ATOM 393 N LYS A 27 0.514 44.687 -11.655 1.00 0.00 N ATOM 394 CA LYS A 27 -0.718 43.967 -12.074 1.00 0.00 C ATOM 395 C LYS A 27 -0.314 42.607 -12.640 1.00 0.00 C ATOM 396 O LYS A 27 0.602 42.506 -13.432 1.00 0.00 O ATOM 397 CB LYS A 27 -1.446 44.775 -13.150 1.00 0.00 C ATOM 398 CG LYS A 27 -1.896 46.115 -12.563 1.00 0.00 C ATOM 399 CD LYS A 27 -2.695 46.889 -13.614 1.00 0.00 C ATOM 400 CE LYS A 27 -2.847 48.344 -13.168 1.00 0.00 C ATOM 401 NZ LYS A 27 -4.012 48.958 -13.866 1.00 0.00 N ATOM 0 H LYS A 27 1.318 44.555 -12.269 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.383 43.836 -11.220 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.788 44.942 -14.003 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.308 44.218 -13.517 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.507 45.949 -11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.029 46.696 -12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.188 46.844 -14.578 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.676 46.434 -13.748 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.990 48.392 -12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.938 48.902 -13.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.672 49.609 -14.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.588 48.211 -14.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.590 49.484 -13.180 1.00 0.00 H new ATOM 415 N LEU A 28 -0.972 41.558 -12.236 1.00 0.00 N ATOM 416 CA LEU A 28 -0.597 40.213 -12.754 1.00 0.00 C ATOM 417 C LEU A 28 -1.830 39.501 -13.307 1.00 0.00 C ATOM 418 O LEU A 28 -2.880 39.485 -12.696 1.00 0.00 O ATOM 419 CB LEU A 28 -0.001 39.380 -11.618 1.00 0.00 C ATOM 420 CG LEU A 28 1.381 38.869 -12.031 1.00 0.00 C ATOM 421 CD1 LEU A 28 2.171 38.472 -10.783 1.00 0.00 C ATOM 422 CD2 LEU A 28 1.222 37.651 -12.943 1.00 0.00 C ATOM 0 H LEU A 28 -1.748 41.572 -11.574 1.00 0.00 H new ATOM 0 HA LEU A 28 0.136 40.331 -13.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.078 39.983 -10.713 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.656 38.541 -11.386 1.00 0.00 H new ATOM 0 HG LEU A 28 1.915 39.655 -12.564 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.156 38.108 -11.076 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.284 39.339 -10.133 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.637 37.685 -10.250 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.206 37.286 -13.238 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.688 36.864 -12.410 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.658 37.933 -13.832 1.00 0.00 H new ATOM 434 N VAL A 29 -1.701 38.894 -14.454 1.00 0.00 N ATOM 435 CA VAL A 29 -2.854 38.161 -15.043 1.00 0.00 C ATOM 436 C VAL A 29 -2.465 36.691 -15.197 1.00 0.00 C ATOM 437 O VAL A 29 -1.524 36.358 -15.890 1.00 0.00 O ATOM 438 CB VAL A 29 -3.204 38.754 -16.410 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.597 38.278 -16.831 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.193 40.281 -16.323 1.00 0.00 C ATOM 0 H VAL A 29 -0.845 38.874 -15.009 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.724 38.250 -14.393 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.469 38.427 -17.146 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.847 38.700 -17.804 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.606 37.190 -16.894 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.331 38.605 -16.095 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.442 40.703 -17.297 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.927 40.609 -15.587 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.202 40.621 -16.023 1.00 0.00 H new ATOM 450 N LEU A 30 -3.170 35.809 -14.546 1.00 0.00 N ATOM 451 CA LEU A 30 -2.828 34.366 -14.647 1.00 0.00 C ATOM 452 C LEU A 30 -4.056 33.559 -15.054 1.00 0.00 C ATOM 453 O LEU A 30 -5.082 33.609 -14.405 1.00 0.00 O ATOM 454 CB LEU A 30 -2.351 33.855 -13.286 1.00 0.00 C ATOM 455 CG LEU A 30 -1.349 34.834 -12.684 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.302 35.194 -13.736 1.00 0.00 C ATOM 457 CD2 LEU A 30 -2.077 36.094 -12.215 1.00 0.00 C ATOM 0 H LEU A 30 -3.968 36.026 -13.949 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.044 34.249 -15.395 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.202 33.734 -12.615 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.891 32.873 -13.398 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.856 34.374 -11.828 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.417 35.894 -13.310 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.217 34.291 -14.056 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.792 35.654 -14.594 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.358 36.791 -11.785 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.575 36.563 -13.063 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.818 35.827 -11.461 1.00 0.00 H new ATOM 469 N ASP A 31 -3.948 32.769 -16.082 1.00 0.00 N ATOM 470 CA ASP A 31 -5.101 31.919 -16.463 1.00 0.00 C ATOM 471 C ASP A 31 -5.100 30.750 -15.485 1.00 0.00 C ATOM 472 O ASP A 31 -4.071 30.158 -15.231 1.00 0.00 O ATOM 473 CB ASP A 31 -4.940 31.413 -17.899 1.00 0.00 C ATOM 474 CG ASP A 31 -6.220 30.694 -18.332 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.040 30.414 -17.473 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.359 30.436 -19.517 1.00 0.00 O ATOM 0 H ASP A 31 -3.119 32.676 -16.669 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.038 32.475 -16.421 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.734 32.248 -18.569 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.089 30.735 -17.964 1.00 0.00 H new ATOM 481 N ILE A 32 -6.216 30.425 -14.904 1.00 0.00 N ATOM 482 CA ILE A 32 -6.196 29.312 -13.921 1.00 0.00 C ATOM 483 C ILE A 32 -7.090 28.164 -14.372 1.00 0.00 C ATOM 484 O ILE A 32 -8.255 28.339 -14.669 1.00 0.00 O ATOM 485 CB ILE A 32 -6.667 29.815 -12.557 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.607 30.739 -11.963 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.890 28.621 -11.626 1.00 0.00 C ATOM 488 CD1 ILE A 32 -6.246 31.636 -10.901 1.00 0.00 C ATOM 0 H ILE A 32 -7.121 30.869 -15.061 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.172 28.946 -13.847 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.601 30.365 -12.671 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.803 30.150 -11.521 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.160 31.349 -12.748 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.226 28.977 -10.652 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.647 27.963 -12.053 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.956 28.071 -11.509 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.488 32.295 -10.478 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.034 32.235 -11.357 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.672 31.018 -10.111 1.00 0.00 H new ATOM 500 N LYS A 33 -6.547 26.982 -14.383 1.00 0.00 N ATOM 501 CA LYS A 33 -7.350 25.790 -14.764 1.00 0.00 C ATOM 502 C LYS A 33 -7.569 24.964 -13.498 1.00 0.00 C ATOM 503 O LYS A 33 -6.632 24.533 -12.860 1.00 0.00 O ATOM 504 CB LYS A 33 -6.602 24.963 -15.811 1.00 0.00 C ATOM 505 CG LYS A 33 -6.599 25.712 -17.144 1.00 0.00 C ATOM 506 CD LYS A 33 -6.167 24.761 -18.263 1.00 0.00 C ATOM 507 CE LYS A 33 -6.194 25.503 -19.601 1.00 0.00 C ATOM 508 NZ LYS A 33 -4.999 25.121 -20.404 1.00 0.00 N ATOM 0 H LYS A 33 -5.575 26.789 -14.143 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.304 26.091 -15.196 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.579 24.780 -15.482 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.078 23.990 -15.929 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.593 26.109 -17.353 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.920 26.563 -17.093 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.164 24.381 -18.066 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.833 23.899 -18.299 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.105 25.258 -20.146 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.203 26.580 -19.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.016 25.625 -21.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.135 25.376 -19.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.010 24.095 -20.576 1.00 0.00 H new ATOM 522 N TYR A 34 -8.798 24.759 -13.118 1.00 0.00 N ATOM 523 CA TYR A 34 -9.070 23.984 -11.876 1.00 0.00 C ATOM 524 C TYR A 34 -9.927 22.760 -12.205 1.00 0.00 C ATOM 525 O TYR A 34 -11.024 22.874 -12.712 1.00 0.00 O ATOM 526 CB TYR A 34 -9.810 24.882 -10.883 1.00 0.00 C ATOM 527 CG TYR A 34 -9.962 24.169 -9.561 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.884 24.110 -8.671 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.185 23.574 -9.221 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.025 23.455 -7.442 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.325 22.918 -7.992 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.246 22.859 -7.102 1.00 0.00 C ATOM 533 OH TYR A 34 -10.386 22.216 -5.890 1.00 0.00 O ATOM 0 H TYR A 34 -9.625 25.094 -13.612 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.130 23.648 -11.439 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.262 25.813 -10.743 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.791 25.146 -11.279 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.943 24.570 -8.932 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.018 23.622 -9.906 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.192 23.409 -6.756 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.266 22.457 -7.730 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.755 22.596 -5.243 1.00 0.00 H new ATOM 543 N THR A 35 -9.431 21.588 -11.915 1.00 0.00 N ATOM 544 CA THR A 35 -10.216 20.355 -12.206 1.00 0.00 C ATOM 545 C THR A 35 -10.388 19.546 -10.918 1.00 0.00 C ATOM 546 O THR A 35 -9.430 19.083 -10.331 1.00 0.00 O ATOM 547 CB THR A 35 -9.476 19.510 -13.246 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.383 20.237 -14.463 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.240 18.206 -13.486 1.00 0.00 C ATOM 0 H THR A 35 -8.517 21.431 -11.490 1.00 0.00 H new ATOM 0 HA THR A 35 -11.196 20.631 -12.596 1.00 0.00 H new ATOM 0 HB THR A 35 -8.475 19.279 -12.881 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.908 19.699 -15.130 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.712 17.606 -14.227 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.312 17.649 -12.552 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.242 18.433 -13.851 1.00 0.00 H new ATOM 557 N ARG A 36 -11.603 19.375 -10.474 1.00 0.00 N ATOM 558 CA ARG A 36 -11.837 18.597 -9.224 1.00 0.00 C ATOM 559 C ARG A 36 -13.073 17.713 -9.398 1.00 0.00 C ATOM 560 O ARG A 36 -14.111 18.160 -9.846 1.00 0.00 O ATOM 561 CB ARG A 36 -12.060 19.559 -8.056 1.00 0.00 C ATOM 562 CG ARG A 36 -11.996 18.782 -6.739 1.00 0.00 C ATOM 563 CD ARG A 36 -11.783 19.757 -5.580 1.00 0.00 C ATOM 564 NE ARG A 36 -11.933 19.031 -4.287 1.00 0.00 N ATOM 565 CZ ARG A 36 -10.881 18.546 -3.687 1.00 0.00 C ATOM 566 NH1 ARG A 36 -10.141 19.320 -2.940 1.00 0.00 N ATOM 567 NH2 ARG A 36 -10.567 17.288 -3.833 1.00 0.00 N ATOM 0 H ARG A 36 -12.443 19.740 -10.922 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.968 17.972 -9.018 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.302 20.343 -8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.028 20.050 -8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.918 18.221 -6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.183 18.057 -6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.791 20.205 -5.645 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.505 20.571 -5.638 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.857 18.913 -3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.385 20.304 -2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.318 18.941 -2.471 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.144 16.683 -4.417 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.744 16.910 -3.363 1.00 0.00 H new ATOM 581 N PRO A 37 -12.953 16.428 -9.036 1.00 0.00 N ATOM 582 CA PRO A 37 -14.054 15.464 -9.148 1.00 0.00 C ATOM 583 C PRO A 37 -15.164 15.740 -8.129 1.00 0.00 C ATOM 584 O PRO A 37 -15.008 15.504 -6.947 1.00 0.00 O ATOM 585 CB PRO A 37 -13.388 14.122 -8.841 1.00 0.00 C ATOM 586 CG PRO A 37 -12.203 14.473 -8.006 1.00 0.00 C ATOM 587 CD PRO A 37 -11.729 15.814 -8.488 1.00 0.00 C ATOM 0 HA PRO A 37 -14.533 15.506 -10.126 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.066 13.456 -8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.091 13.608 -9.755 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.470 14.512 -6.950 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.419 13.723 -8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.309 16.408 -7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.953 15.718 -9.247 1.00 0.00 H new ATOM 595 N GLY A 38 -16.287 16.230 -8.578 1.00 0.00 N ATOM 596 CA GLY A 38 -17.408 16.512 -7.636 1.00 0.00 C ATOM 597 C GLY A 38 -17.284 17.936 -7.088 1.00 0.00 C ATOM 598 O GLY A 38 -18.145 18.409 -6.374 1.00 0.00 O ATOM 0 H GLY A 38 -16.477 16.447 -9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.363 16.392 -8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.394 15.795 -6.815 1.00 0.00 H new ATOM 602 N ASP A 39 -16.223 18.623 -7.412 1.00 0.00 N ATOM 603 CA ASP A 39 -16.058 20.014 -6.900 1.00 0.00 C ATOM 604 C ASP A 39 -15.602 20.931 -8.037 1.00 0.00 C ATOM 605 O ASP A 39 -15.327 20.489 -9.135 1.00 0.00 O ATOM 606 CB ASP A 39 -15.011 20.026 -5.786 1.00 0.00 C ATOM 607 CG ASP A 39 -15.478 19.130 -4.638 1.00 0.00 C ATOM 608 OD1 ASP A 39 -16.384 19.534 -3.928 1.00 0.00 O ATOM 609 OD2 ASP A 39 -14.921 18.055 -4.488 1.00 0.00 O ATOM 0 H ASP A 39 -15.466 18.284 -8.006 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.011 20.370 -6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.053 19.675 -6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.857 21.044 -5.428 1.00 0.00 H new ATOM 614 N SER A 40 -15.521 22.209 -7.781 1.00 0.00 N ATOM 615 CA SER A 40 -15.084 23.158 -8.842 1.00 0.00 C ATOM 616 C SER A 40 -14.493 24.412 -8.195 1.00 0.00 C ATOM 617 O SER A 40 -14.699 24.678 -7.028 1.00 0.00 O ATOM 618 CB SER A 40 -16.287 23.549 -9.700 1.00 0.00 C ATOM 619 OG SER A 40 -16.965 22.377 -10.129 1.00 0.00 O ATOM 0 H SER A 40 -15.739 22.636 -6.881 1.00 0.00 H new ATOM 0 HA SER A 40 -14.329 22.681 -9.467 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.963 24.184 -9.128 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.959 24.128 -10.563 1.00 0.00 H new ATOM 0 HG SER A 40 -16.332 21.630 -10.171 1.00 0.00 H new ATOM 625 N LEU A 41 -13.755 25.184 -8.946 1.00 0.00 N ATOM 626 CA LEU A 41 -13.147 26.421 -8.377 1.00 0.00 C ATOM 627 C LEU A 41 -14.237 27.470 -8.144 1.00 0.00 C ATOM 628 O LEU A 41 -15.025 27.763 -9.021 1.00 0.00 O ATOM 629 CB LEU A 41 -12.114 26.974 -9.360 1.00 0.00 C ATOM 630 CG LEU A 41 -11.631 28.342 -8.878 1.00 0.00 C ATOM 631 CD1 LEU A 41 -11.134 28.227 -7.435 1.00 0.00 C ATOM 632 CD2 LEU A 41 -10.490 28.826 -9.775 1.00 0.00 C ATOM 0 H LEU A 41 -13.547 25.011 -9.929 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.664 26.185 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.271 26.288 -9.443 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.553 27.061 -10.354 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.454 29.055 -8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.789 29.202 -7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.948 27.883 -6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.311 27.514 -7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.146 29.801 -9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.666 28.114 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.845 28.908 -10.802 1.00 0.00 H new ATOM 644 N ALA A 42 -14.288 28.040 -6.971 1.00 0.00 N ATOM 645 CA ALA A 42 -15.328 29.071 -6.692 1.00 0.00 C ATOM 646 C ALA A 42 -14.653 30.416 -6.422 1.00 0.00 C ATOM 647 O ALA A 42 -15.118 31.451 -6.854 1.00 0.00 O ATOM 648 CB ALA A 42 -16.140 28.662 -5.463 1.00 0.00 C ATOM 0 H ALA A 42 -13.657 27.837 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.989 29.157 -7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.900 29.417 -5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.623 27.702 -5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.478 28.574 -4.602 1.00 0.00 H new ATOM 654 N GLU A 43 -13.562 30.410 -5.706 1.00 0.00 N ATOM 655 CA GLU A 43 -12.866 31.695 -5.409 1.00 0.00 C ATOM 656 C GLU A 43 -11.351 31.480 -5.412 1.00 0.00 C ATOM 657 O GLU A 43 -10.864 30.401 -5.138 1.00 0.00 O ATOM 658 CB GLU A 43 -13.300 32.207 -4.036 1.00 0.00 C ATOM 659 CG GLU A 43 -14.804 32.489 -4.048 1.00 0.00 C ATOM 660 CD GLU A 43 -15.157 33.413 -2.880 1.00 0.00 C ATOM 661 OE1 GLU A 43 -15.295 32.913 -1.776 1.00 0.00 O ATOM 662 OE2 GLU A 43 -15.285 34.604 -3.111 1.00 0.00 O ATOM 0 H GLU A 43 -13.124 29.576 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.128 32.426 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.064 31.469 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.751 33.114 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.091 32.952 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.361 31.555 -3.969 1.00 0.00 H new ATOM 669 N VAL A 44 -10.605 32.504 -5.724 1.00 0.00 N ATOM 670 CA VAL A 44 -9.122 32.374 -5.751 1.00 0.00 C ATOM 671 C VAL A 44 -8.490 33.634 -5.154 1.00 0.00 C ATOM 672 O VAL A 44 -8.908 34.738 -5.444 1.00 0.00 O ATOM 673 CB VAL A 44 -8.658 32.220 -7.200 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.144 32.002 -7.226 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.359 31.020 -7.838 1.00 0.00 C ATOM 0 H VAL A 44 -10.961 33.429 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.821 31.502 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.907 33.122 -7.760 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.810 31.892 -8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.645 32.859 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.897 31.100 -6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.027 30.912 -8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.112 30.116 -7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.438 31.176 -7.818 1.00 0.00 H new ATOM 685 N GLU A 45 -7.483 33.492 -4.335 1.00 0.00 N ATOM 686 CA GLU A 45 -6.842 34.704 -3.750 1.00 0.00 C ATOM 687 C GLU A 45 -5.328 34.634 -3.966 1.00 0.00 C ATOM 688 O GLU A 45 -4.749 33.569 -4.042 1.00 0.00 O ATOM 689 CB GLU A 45 -7.150 34.791 -2.254 1.00 0.00 C ATOM 690 CG GLU A 45 -8.661 34.690 -2.038 1.00 0.00 C ATOM 691 CD GLU A 45 -8.976 34.870 -0.551 1.00 0.00 C ATOM 692 OE1 GLU A 45 -8.069 34.714 0.250 1.00 0.00 O ATOM 693 OE2 GLU A 45 -10.119 35.163 -0.239 1.00 0.00 O ATOM 0 H GLU A 45 -7.080 32.600 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.238 35.592 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.641 33.989 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.776 35.731 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.175 35.452 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.025 33.722 -2.383 1.00 0.00 H new ATOM 700 N LEU A 46 -4.689 35.765 -4.079 1.00 0.00 N ATOM 701 CA LEU A 46 -3.216 35.775 -4.306 1.00 0.00 C ATOM 702 C LEU A 46 -2.518 36.493 -3.149 1.00 0.00 C ATOM 703 O LEU A 46 -3.002 37.481 -2.635 1.00 0.00 O ATOM 704 CB LEU A 46 -2.915 36.517 -5.612 1.00 0.00 C ATOM 705 CG LEU A 46 -1.420 36.427 -5.926 1.00 0.00 C ATOM 706 CD1 LEU A 46 -1.182 36.832 -7.383 1.00 0.00 C ATOM 707 CD2 LEU A 46 -0.642 37.369 -5.006 1.00 0.00 C ATOM 0 H LEU A 46 -5.124 36.686 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.852 34.749 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.494 36.085 -6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.216 37.561 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.079 35.404 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.118 36.769 -7.609 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.733 36.161 -8.042 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.525 37.855 -7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.422 37.302 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.982 38.393 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.810 37.084 -3.967 1.00 0.00 H new ATOM 719 N ARG A 47 -1.376 36.009 -2.747 1.00 0.00 N ATOM 720 CA ARG A 47 -0.634 36.670 -1.636 1.00 0.00 C ATOM 721 C ARG A 47 0.802 36.935 -2.091 1.00 0.00 C ATOM 722 O ARG A 47 1.472 36.063 -2.609 1.00 0.00 O ATOM 723 CB ARG A 47 -0.633 35.764 -0.403 1.00 0.00 C ATOM 724 CG ARG A 47 0.428 36.248 0.586 1.00 0.00 C ATOM 725 CD ARG A 47 0.299 35.468 1.895 1.00 0.00 C ATOM 726 NE ARG A 47 0.872 34.103 1.719 1.00 0.00 N ATOM 727 CZ ARG A 47 1.366 33.465 2.744 1.00 0.00 C ATOM 728 NH1 ARG A 47 0.567 32.896 3.605 1.00 0.00 N ATOM 729 NH2 ARG A 47 2.659 33.397 2.910 1.00 0.00 N ATOM 0 H ARG A 47 -0.924 35.184 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.117 37.612 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.616 35.773 0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.429 34.734 -0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.424 36.109 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.307 37.315 0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.820 35.992 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.749 35.399 2.188 1.00 0.00 H new ATOM 0 HE ARG A 47 0.878 33.668 0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.443 32.950 3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.953 32.397 4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.284 33.843 2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.045 32.898 3.712 1.00 0.00 H new ATOM 743 N GLN A 48 1.275 38.139 -1.917 1.00 0.00 N ATOM 744 CA GLN A 48 2.661 38.469 -2.354 1.00 0.00 C ATOM 745 C GLN A 48 3.679 37.810 -1.424 1.00 0.00 C ATOM 746 O GLN A 48 3.414 37.566 -0.264 1.00 0.00 O ATOM 747 CB GLN A 48 2.855 39.985 -2.317 1.00 0.00 C ATOM 748 CG GLN A 48 1.805 40.655 -3.205 1.00 0.00 C ATOM 749 CD GLN A 48 1.794 39.984 -4.579 1.00 0.00 C ATOM 750 OE1 GLN A 48 2.783 39.415 -4.999 1.00 0.00 O ATOM 751 NE2 GLN A 48 0.710 40.027 -5.305 1.00 0.00 N ATOM 0 H GLN A 48 0.760 38.909 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 48 2.811 38.098 -3.368 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.767 40.349 -1.293 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.856 40.243 -2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.821 40.578 -2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.026 41.717 -3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.120 40.504 -4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.693 39.584 -6.223 1.00 0.00 H new ATOM 760 N HIS A 49 4.846 37.525 -1.931 1.00 0.00 N ATOM 761 CA HIS A 49 5.894 36.886 -1.088 1.00 0.00 C ATOM 762 C HIS A 49 6.366 37.878 -0.022 1.00 0.00 C ATOM 763 O HIS A 49 6.683 39.015 -0.311 1.00 0.00 O ATOM 764 CB HIS A 49 7.082 36.485 -1.965 1.00 0.00 C ATOM 765 CG HIS A 49 8.163 35.890 -1.105 1.00 0.00 C ATOM 766 ND1 HIS A 49 9.486 36.286 -1.203 1.00 0.00 N ATOM 767 CD2 HIS A 49 8.131 34.924 -0.129 1.00 0.00 C ATOM 768 CE1 HIS A 49 10.192 35.570 -0.308 1.00 0.00 C ATOM 769 NE2 HIS A 49 9.414 34.724 0.373 1.00 0.00 N ATOM 0 H HIS A 49 5.120 37.708 -2.896 1.00 0.00 H new ATOM 0 HA HIS A 49 5.480 36.000 -0.607 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.764 35.764 -2.719 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.464 37.356 -2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.246 34.400 0.199 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.257 35.668 -0.159 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.699 34.072 1.104 1.00 0.00 H new ATOM 777 N GLY A 50 6.417 37.451 1.209 1.00 0.00 N ATOM 778 CA GLY A 50 6.871 38.361 2.298 1.00 0.00 C ATOM 779 C GLY A 50 5.677 39.147 2.843 1.00 0.00 C ATOM 780 O GLY A 50 5.821 39.994 3.702 1.00 0.00 O ATOM 0 H GLY A 50 6.163 36.510 1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.335 37.784 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.629 39.047 1.920 1.00 0.00 H new ATOM 784 N SER A 51 4.499 38.873 2.356 1.00 0.00 N ATOM 785 CA SER A 51 3.301 39.603 2.857 1.00 0.00 C ATOM 786 C SER A 51 2.407 38.632 3.628 1.00 0.00 C ATOM 787 O SER A 51 2.410 37.442 3.381 1.00 0.00 O ATOM 788 CB SER A 51 2.525 40.191 1.677 1.00 0.00 C ATOM 789 OG SER A 51 1.476 41.015 2.163 1.00 0.00 O ATOM 0 H SER A 51 4.314 38.177 1.634 1.00 0.00 H new ATOM 0 HA SER A 51 3.615 40.412 3.516 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.194 40.772 1.042 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.117 39.390 1.061 1.00 0.00 H new ATOM 0 HG SER A 51 0.980 41.393 1.407 1.00 0.00 H new ATOM 795 N GLU A 52 1.641 39.126 4.562 1.00 0.00 N ATOM 796 CA GLU A 52 0.751 38.227 5.347 1.00 0.00 C ATOM 797 C GLU A 52 -0.708 38.557 5.033 1.00 0.00 C ATOM 798 O GLU A 52 -1.601 38.255 5.800 1.00 0.00 O ATOM 799 CB GLU A 52 1.014 38.427 6.841 1.00 0.00 C ATOM 800 CG GLU A 52 2.506 38.245 7.126 1.00 0.00 C ATOM 801 CD GLU A 52 2.793 38.601 8.586 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.950 39.235 9.199 1.00 0.00 O ATOM 803 OE2 GLU A 52 3.853 38.233 9.066 1.00 0.00 O ATOM 0 H GLU A 52 1.594 40.113 4.815 1.00 0.00 H new ATOM 0 HA GLU A 52 0.953 37.189 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.693 39.423 7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.432 37.712 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.802 37.215 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.094 38.880 6.463 1.00 0.00 H new ATOM 810 N GLU A 53 -0.959 39.175 3.913 1.00 0.00 N ATOM 811 CA GLU A 53 -2.361 39.522 3.553 1.00 0.00 C ATOM 812 C GLU A 53 -2.706 38.908 2.196 1.00 0.00 C ATOM 813 O GLU A 53 -2.034 39.135 1.209 1.00 0.00 O ATOM 814 CB GLU A 53 -2.511 41.044 3.483 1.00 0.00 C ATOM 815 CG GLU A 53 -3.771 41.402 2.691 1.00 0.00 C ATOM 816 CD GLU A 53 -3.957 42.920 2.686 1.00 0.00 C ATOM 817 OE1 GLU A 53 -2.982 43.618 2.910 1.00 0.00 O ATOM 818 OE2 GLU A 53 -5.073 43.360 2.459 1.00 0.00 O ATOM 0 H GLU A 53 -0.254 39.455 3.231 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.038 39.128 4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.572 41.460 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.634 41.484 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.688 41.032 1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.642 40.920 3.135 1.00 0.00 H new ATOM 825 N TRP A 54 -3.752 38.135 2.142 1.00 0.00 N ATOM 826 CA TRP A 54 -4.153 37.502 0.856 1.00 0.00 C ATOM 827 C TRP A 54 -5.019 38.478 0.057 1.00 0.00 C ATOM 828 O TRP A 54 -5.973 39.036 0.564 1.00 0.00 O ATOM 829 CB TRP A 54 -4.952 36.232 1.150 1.00 0.00 C ATOM 830 CG TRP A 54 -4.014 35.114 1.474 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.569 34.809 2.715 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.401 34.149 0.571 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.722 33.717 2.630 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.586 33.275 1.330 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.472 33.950 -0.819 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.869 32.240 0.731 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.750 32.909 -1.425 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.951 32.056 -0.653 1.00 0.00 C ATOM 0 H TRP A 54 -4.350 37.913 2.938 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.265 37.250 0.277 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.632 36.403 1.984 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.565 35.968 0.288 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.831 35.332 3.623 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.255 33.291 3.431 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.085 34.601 -1.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.255 31.585 1.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.811 32.765 -2.494 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.399 31.257 -1.126 1.00 0.00 H new ATOM 849 N GLU A 55 -4.694 38.686 -1.190 1.00 0.00 N ATOM 850 CA GLU A 55 -5.496 39.625 -2.026 1.00 0.00 C ATOM 851 C GLU A 55 -6.399 38.823 -2.964 1.00 0.00 C ATOM 852 O GLU A 55 -5.973 37.869 -3.583 1.00 0.00 O ATOM 853 CB GLU A 55 -4.556 40.507 -2.850 1.00 0.00 C ATOM 854 CG GLU A 55 -4.529 41.917 -2.258 1.00 0.00 C ATOM 855 CD GLU A 55 -5.484 42.820 -3.044 1.00 0.00 C ATOM 856 OE1 GLU A 55 -6.105 42.327 -3.971 1.00 0.00 O ATOM 857 OE2 GLU A 55 -5.576 43.988 -2.706 1.00 0.00 O ATOM 0 H GLU A 55 -3.907 38.246 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.109 40.255 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.552 40.083 -2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.890 40.543 -3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.821 41.888 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.517 42.320 -2.296 1.00 0.00 H new ATOM 864 N PRO A 56 -7.674 39.221 -3.064 1.00 0.00 N ATOM 865 CA PRO A 56 -8.651 38.540 -3.922 1.00 0.00 C ATOM 866 C PRO A 56 -8.390 38.795 -5.411 1.00 0.00 C ATOM 867 O PRO A 56 -7.944 39.857 -5.800 1.00 0.00 O ATOM 868 CB PRO A 56 -9.982 39.172 -3.517 1.00 0.00 C ATOM 869 CG PRO A 56 -9.617 40.514 -2.979 1.00 0.00 C ATOM 870 CD PRO A 56 -8.261 40.366 -2.346 1.00 0.00 C ATOM 0 HA PRO A 56 -8.615 37.458 -3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.655 39.257 -4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.494 38.570 -2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.594 41.258 -3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.352 40.852 -2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.660 41.267 -2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.336 40.174 -1.276 1.00 0.00 H new ATOM 878 N LEU A 57 -8.677 37.835 -6.246 1.00 0.00 N ATOM 879 CA LEU A 57 -8.462 38.025 -7.709 1.00 0.00 C ATOM 880 C LEU A 57 -9.822 38.194 -8.384 1.00 0.00 C ATOM 881 O LEU A 57 -10.835 37.778 -7.859 1.00 0.00 O ATOM 882 CB LEU A 57 -7.766 36.792 -8.292 1.00 0.00 C ATOM 883 CG LEU A 57 -6.291 36.794 -7.892 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.177 36.876 -6.370 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.629 35.505 -8.386 1.00 0.00 C ATOM 0 H LEU A 57 -9.052 36.925 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.841 38.905 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.249 35.885 -7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.858 36.790 -9.378 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.792 37.654 -8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.125 36.877 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.650 37.793 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.674 36.016 -5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.577 35.504 -8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.127 34.645 -7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.712 35.446 -9.471 1.00 0.00 H new ATOM 897 N THR A 58 -9.866 38.791 -9.543 1.00 0.00 N ATOM 898 CA THR A 58 -11.180 38.958 -10.223 1.00 0.00 C ATOM 899 C THR A 58 -11.239 38.026 -11.435 1.00 0.00 C ATOM 900 O THR A 58 -10.362 38.034 -12.277 1.00 0.00 O ATOM 901 CB THR A 58 -11.349 40.409 -10.677 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.402 41.256 -9.537 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.644 40.548 -11.478 1.00 0.00 C ATOM 0 H THR A 58 -9.060 39.166 -10.043 1.00 0.00 H new ATOM 0 HA THR A 58 -11.984 38.709 -9.530 1.00 0.00 H new ATOM 0 HB THR A 58 -10.505 40.695 -11.304 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.509 42.187 -9.825 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.763 41.582 -11.801 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.603 39.898 -12.352 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.491 40.263 -10.853 1.00 0.00 H new ATOM 911 N LYS A 59 -12.261 37.222 -11.531 1.00 0.00 N ATOM 912 CA LYS A 59 -12.364 36.291 -12.688 1.00 0.00 C ATOM 913 C LYS A 59 -12.534 37.102 -13.973 1.00 0.00 C ATOM 914 O LYS A 59 -13.468 37.865 -14.115 1.00 0.00 O ATOM 915 CB LYS A 59 -13.572 35.372 -12.499 1.00 0.00 C ATOM 916 CG LYS A 59 -13.411 34.132 -13.380 1.00 0.00 C ATOM 917 CD LYS A 59 -14.402 33.056 -12.933 1.00 0.00 C ATOM 918 CE LYS A 59 -14.160 31.776 -13.737 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.918 31.843 -15.018 1.00 0.00 N ATOM 0 H LYS A 59 -13.027 37.170 -10.860 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.459 35.687 -12.754 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.660 35.079 -11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.489 35.900 -12.760 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.585 34.390 -14.425 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.391 33.754 -13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.284 32.857 -11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.424 33.404 -13.081 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.095 31.656 -13.938 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.476 30.907 -13.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.754 30.973 -15.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.934 31.938 -14.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.596 32.664 -15.569 1.00 0.00 H new ATOM 933 N LYS A 60 -11.638 36.950 -14.909 1.00 0.00 N ATOM 934 CA LYS A 60 -11.756 37.719 -16.178 1.00 0.00 C ATOM 935 C LYS A 60 -12.120 36.764 -17.319 1.00 0.00 C ATOM 936 O LYS A 60 -12.733 35.737 -17.105 1.00 0.00 O ATOM 937 CB LYS A 60 -10.422 38.409 -16.476 1.00 0.00 C ATOM 938 CG LYS A 60 -10.313 39.689 -15.645 1.00 0.00 C ATOM 939 CD LYS A 60 -9.806 40.830 -16.531 1.00 0.00 C ATOM 940 CE LYS A 60 -10.232 42.171 -15.929 1.00 0.00 C ATOM 941 NZ LYS A 60 -11.387 42.715 -16.696 1.00 0.00 N ATOM 0 H LYS A 60 -10.832 36.328 -14.850 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.537 38.474 -16.083 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.594 37.740 -16.243 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.352 38.645 -17.538 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.285 39.946 -15.224 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.633 39.535 -14.807 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.720 40.785 -16.614 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.207 40.728 -17.539 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.506 42.041 -14.882 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.400 42.875 -15.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.677 43.626 -16.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.110 42.853 -17.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.182 42.046 -16.648 1.00 0.00 H new ATOM 955 N GLY A 61 -11.751 37.090 -18.529 1.00 0.00 N ATOM 956 CA GLY A 61 -12.081 36.197 -19.675 1.00 0.00 C ATOM 957 C GLY A 61 -11.474 34.810 -19.446 1.00 0.00 C ATOM 958 O GLY A 61 -10.430 34.484 -19.974 1.00 0.00 O ATOM 0 H GLY A 61 -11.236 37.936 -18.772 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.162 36.117 -19.785 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.697 36.623 -20.602 1.00 0.00 H new ATOM 962 N ASN A 62 -12.125 33.988 -18.668 1.00 0.00 N ATOM 963 CA ASN A 62 -11.594 32.617 -18.412 1.00 0.00 C ATOM 964 C ASN A 62 -10.255 32.701 -17.674 1.00 0.00 C ATOM 965 O ASN A 62 -9.553 31.719 -17.535 1.00 0.00 O ATOM 966 CB ASN A 62 -11.398 31.890 -19.742 1.00 0.00 C ATOM 967 CG ASN A 62 -10.837 30.491 -19.482 1.00 0.00 C ATOM 968 OD1 ASN A 62 -11.001 29.947 -18.408 1.00 0.00 O ATOM 969 ND2 ASN A 62 -10.176 29.879 -20.427 1.00 0.00 N ATOM 0 H ASN A 62 -13.003 34.207 -18.198 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.306 32.069 -17.796 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.347 31.820 -20.273 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.717 32.454 -20.380 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.798 28.946 -20.263 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.037 30.334 -21.329 1.00 0.00 H new ATOM 976 N VAL A 63 -9.891 33.861 -17.203 1.00 0.00 N ATOM 977 CA VAL A 63 -8.594 33.991 -16.478 1.00 0.00 C ATOM 978 C VAL A 63 -8.808 34.757 -15.170 1.00 0.00 C ATOM 979 O VAL A 63 -9.902 35.182 -14.860 1.00 0.00 O ATOM 980 CB VAL A 63 -7.596 34.751 -17.352 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.093 33.834 -18.468 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.280 35.974 -17.965 1.00 0.00 C ATOM 0 H VAL A 63 -10.432 34.722 -17.287 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.205 32.997 -16.256 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.753 35.076 -16.741 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.382 34.376 -19.091 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.603 32.964 -18.031 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.935 33.508 -19.078 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.568 36.515 -18.588 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.124 35.651 -18.575 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.637 36.628 -17.170 1.00 0.00 H new ATOM 992 N TRP A 64 -7.768 34.942 -14.405 1.00 0.00 N ATOM 993 CA TRP A 64 -7.905 35.688 -13.123 1.00 0.00 C ATOM 994 C TRP A 64 -6.871 36.813 -13.087 1.00 0.00 C ATOM 995 O TRP A 64 -5.693 36.591 -13.278 1.00 0.00 O ATOM 996 CB TRP A 64 -7.666 34.743 -11.944 1.00 0.00 C ATOM 997 CG TRP A 64 -8.822 33.803 -11.818 1.00 0.00 C ATOM 998 CD1 TRP A 64 -9.033 32.722 -12.604 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.927 33.841 -10.868 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.196 32.094 -12.196 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.784 32.746 -11.130 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.265 34.710 -9.816 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.935 32.521 -10.375 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.424 34.486 -9.053 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.256 33.394 -9.333 1.00 0.00 C ATOM 0 H TRP A 64 -6.827 34.608 -14.613 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.910 36.104 -13.051 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.743 34.183 -12.094 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.546 35.315 -11.024 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.398 32.402 -13.417 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.573 31.252 -12.630 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.630 35.555 -9.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.573 31.678 -10.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.675 35.159 -8.247 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -13.145 33.227 -8.743 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.300 38.021 -12.847 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.334 39.153 -12.804 1.00 0.00 C ATOM 1018 C GLU A 65 -6.363 39.803 -11.421 1.00 0.00 C ATOM 1019 O GLU A 65 -7.348 39.740 -10.712 1.00 0.00 O ATOM 1020 CB GLU A 65 -6.714 40.188 -13.864 1.00 0.00 C ATOM 1021 CG GLU A 65 -5.891 41.460 -13.652 1.00 0.00 C ATOM 1022 CD GLU A 65 -6.314 42.519 -14.673 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -7.360 42.346 -15.276 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -5.586 43.484 -14.833 1.00 0.00 O ATOM 0 H GLU A 65 -8.274 38.272 -12.679 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.330 38.779 -13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.533 39.787 -14.861 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.778 40.416 -13.801 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.038 41.836 -12.640 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.829 41.240 -13.759 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.288 40.432 -11.036 1.00 0.00 N ATOM 1032 CA VAL A 66 -5.245 41.095 -9.703 1.00 0.00 C ATOM 1033 C VAL A 66 -4.386 42.356 -9.795 1.00 0.00 C ATOM 1034 O VAL A 66 -3.373 42.380 -10.465 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.636 40.141 -8.675 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -3.203 39.796 -9.084 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -4.628 40.810 -7.299 1.00 0.00 C ATOM 0 H VAL A 66 -4.435 40.516 -11.589 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.257 41.360 -9.396 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.230 39.228 -8.631 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.769 39.116 -8.351 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.209 39.318 -10.063 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.608 40.708 -9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.194 40.130 -6.566 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.035 41.724 -7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.649 41.054 -7.007 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.780 43.405 -9.129 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.976 44.659 -9.186 1.00 0.00 C ATOM 1049 C LYS A 67 -3.504 45.034 -7.780 1.00 0.00 C ATOM 1050 O LYS A 67 -4.275 45.094 -6.843 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.825 45.792 -9.767 1.00 0.00 C ATOM 1052 CG LYS A 67 -5.472 45.327 -11.074 1.00 0.00 C ATOM 1053 CD LYS A 67 -6.551 46.327 -11.494 1.00 0.00 C ATOM 1054 CE LYS A 67 -5.889 47.596 -12.032 1.00 0.00 C ATOM 1055 NZ LYS A 67 -6.461 48.787 -11.342 1.00 0.00 N ATOM 0 H LYS A 67 -5.619 43.450 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.107 44.499 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.594 46.087 -9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.204 46.670 -9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.717 45.241 -11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.910 44.337 -10.943 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.192 45.887 -12.258 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.188 46.569 -10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.812 47.553 -11.872 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.049 47.674 -13.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.011 49.650 -11.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.485 48.830 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.287 48.713 -10.319 1.00 0.00 H new ATOM 1069 N SER A 68 -2.230 45.281 -7.634 1.00 0.00 N ATOM 1070 CA SER A 68 -1.675 45.650 -6.302 1.00 0.00 C ATOM 1071 C SER A 68 -1.062 47.050 -6.372 1.00 0.00 C ATOM 1072 O SER A 68 -0.278 47.349 -7.250 1.00 0.00 O ATOM 1073 CB SER A 68 -0.584 44.647 -5.921 1.00 0.00 C ATOM 1074 OG SER A 68 -0.422 44.636 -4.510 1.00 0.00 O ATOM 0 H SER A 68 -1.545 45.242 -8.388 1.00 0.00 H new ATOM 0 HA SER A 68 -2.472 45.637 -5.559 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.851 43.651 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.356 44.915 -6.403 1.00 0.00 H new ATOM 0 HG SER A 68 0.276 43.992 -4.266 1.00 0.00 H new ATOM 1080 N SER A 69 -1.405 47.910 -5.451 1.00 0.00 N ATOM 1081 CA SER A 69 -0.829 49.284 -5.470 1.00 0.00 C ATOM 1082 C SER A 69 0.691 49.187 -5.321 1.00 0.00 C ATOM 1083 O SER A 69 1.421 50.088 -5.682 1.00 0.00 O ATOM 1084 CB SER A 69 -1.406 50.098 -4.311 1.00 0.00 C ATOM 1085 OG SER A 69 -0.858 49.633 -3.086 1.00 0.00 O ATOM 0 H SER A 69 -2.057 47.721 -4.689 1.00 0.00 H new ATOM 0 HA SER A 69 -1.078 49.775 -6.411 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.177 51.155 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.492 50.007 -4.294 1.00 0.00 H new ATOM 0 HG SER A 69 -1.226 50.156 -2.343 1.00 0.00 H new ATOM 1091 N LYS A 70 1.169 48.094 -4.792 1.00 0.00 N ATOM 1092 CA LYS A 70 2.637 47.922 -4.615 1.00 0.00 C ATOM 1093 C LYS A 70 3.156 46.913 -5.641 1.00 0.00 C ATOM 1094 O LYS A 70 2.391 46.212 -6.272 1.00 0.00 O ATOM 1095 CB LYS A 70 2.914 47.401 -3.204 1.00 0.00 C ATOM 1096 CG LYS A 70 2.055 46.163 -2.938 1.00 0.00 C ATOM 1097 CD LYS A 70 2.370 45.614 -1.546 1.00 0.00 C ATOM 1098 CE LYS A 70 3.719 44.892 -1.575 1.00 0.00 C ATOM 1099 NZ LYS A 70 3.739 43.834 -0.526 1.00 0.00 N ATOM 0 H LYS A 70 0.601 47.309 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 70 3.140 48.878 -4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.970 47.153 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.692 48.175 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.998 46.419 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.251 45.402 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.396 46.427 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.585 44.928 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.885 44.449 -2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.528 45.603 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.656 43.343 -0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.599 44.269 0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.976 43.151 -0.708 1.00 0.00 H new ATOM 1113 N PRO A 71 4.485 46.837 -5.808 1.00 0.00 N ATOM 1114 CA PRO A 71 5.108 45.908 -6.758 1.00 0.00 C ATOM 1115 C PRO A 71 4.927 44.449 -6.326 1.00 0.00 C ATOM 1116 O PRO A 71 4.994 44.124 -5.157 1.00 0.00 O ATOM 1117 CB PRO A 71 6.587 46.294 -6.721 1.00 0.00 C ATOM 1118 CG PRO A 71 6.773 46.929 -5.386 1.00 0.00 C ATOM 1119 CD PRO A 71 5.487 47.646 -5.089 1.00 0.00 C ATOM 0 HA PRO A 71 4.665 45.977 -7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.228 45.420 -6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.838 46.984 -7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.988 46.180 -4.624 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.614 47.623 -5.397 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.283 47.684 -4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.507 48.676 -5.446 1.00 0.00 H new ATOM 1127 N LEU A 72 4.694 43.571 -7.262 1.00 0.00 N ATOM 1128 CA LEU A 72 4.503 42.135 -6.911 1.00 0.00 C ATOM 1129 C LEU A 72 5.855 41.492 -6.603 1.00 0.00 C ATOM 1130 O LEU A 72 6.850 41.770 -7.244 1.00 0.00 O ATOM 1131 CB LEU A 72 3.843 41.405 -8.083 1.00 0.00 C ATOM 1132 CG LEU A 72 2.661 42.229 -8.597 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.303 41.777 -10.014 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.457 42.023 -7.675 1.00 0.00 C ATOM 0 H LEU A 72 4.627 43.786 -8.257 1.00 0.00 H new ATOM 0 HA LEU A 72 3.863 42.063 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.567 41.250 -8.883 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.502 40.419 -7.766 1.00 0.00 H new ATOM 0 HG LEU A 72 2.931 43.285 -8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.461 42.364 -10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.161 41.924 -10.670 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.032 40.721 -10.002 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.614 42.610 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.185 40.967 -7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.713 42.345 -6.665 1.00 0.00 H new ATOM 1146 N VAL A 73 5.898 40.635 -5.619 1.00 0.00 N ATOM 1147 CA VAL A 73 7.179 39.969 -5.258 1.00 0.00 C ATOM 1148 C VAL A 73 6.984 38.451 -5.273 1.00 0.00 C ATOM 1149 O VAL A 73 6.116 37.920 -4.610 1.00 0.00 O ATOM 1150 CB VAL A 73 7.603 40.414 -3.856 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.011 39.897 -3.559 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.598 41.943 -3.786 1.00 0.00 C ATOM 0 H VAL A 73 5.096 40.367 -5.048 1.00 0.00 H new ATOM 0 HA VAL A 73 7.950 40.244 -5.977 1.00 0.00 H new ATOM 0 HB VAL A 73 6.906 40.011 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.312 40.214 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.017 38.808 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.709 40.299 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.900 42.263 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.296 42.343 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.595 42.314 -3.998 1.00 0.00 H new ATOM 1162 N GLY A 74 7.786 37.749 -6.026 1.00 0.00 N ATOM 1163 CA GLY A 74 7.648 36.266 -6.085 1.00 0.00 C ATOM 1164 C GLY A 74 8.596 35.623 -5.071 1.00 0.00 C ATOM 1165 O GLY A 74 9.494 36.261 -4.557 1.00 0.00 O ATOM 0 H GLY A 74 8.531 38.139 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.619 35.977 -5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.876 35.909 -7.089 1.00 0.00 H new ATOM 1169 N PRO A 75 8.388 34.329 -4.777 1.00 0.00 N ATOM 1170 CA PRO A 75 7.309 33.537 -5.382 1.00 0.00 C ATOM 1171 C PRO A 75 5.926 33.991 -4.907 1.00 0.00 C ATOM 1172 O PRO A 75 5.751 34.438 -3.792 1.00 0.00 O ATOM 1173 CB PRO A 75 7.594 32.115 -4.903 1.00 0.00 C ATOM 1174 CG PRO A 75 8.370 32.294 -3.641 1.00 0.00 C ATOM 1175 CD PRO A 75 9.190 33.539 -3.827 1.00 0.00 C ATOM 0 HA PRO A 75 7.290 33.637 -6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.671 31.563 -4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.164 31.554 -5.643 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.703 32.391 -2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.009 31.432 -3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.337 34.069 -2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.180 33.314 -4.225 1.00 0.00 H new ATOM 1183 N PHE A 76 4.943 33.884 -5.759 1.00 0.00 N ATOM 1184 CA PHE A 76 3.567 34.317 -5.383 1.00 0.00 C ATOM 1185 C PHE A 76 2.787 33.146 -4.779 1.00 0.00 C ATOM 1186 O PHE A 76 2.974 32.003 -5.150 1.00 0.00 O ATOM 1187 CB PHE A 76 2.843 34.808 -6.637 1.00 0.00 C ATOM 1188 CG PHE A 76 3.592 35.984 -7.217 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.580 37.218 -6.554 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.301 35.840 -8.416 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.279 38.306 -7.089 1.00 0.00 C ATOM 1192 CE2 PHE A 76 4.998 36.930 -8.952 1.00 0.00 C ATOM 1193 CZ PHE A 76 4.987 38.163 -8.289 1.00 0.00 C ATOM 0 H PHE A 76 5.035 33.513 -6.705 1.00 0.00 H new ATOM 0 HA PHE A 76 3.632 35.116 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.778 34.005 -7.371 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.821 35.098 -6.391 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.032 37.330 -5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.310 34.889 -8.927 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.272 39.256 -6.576 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.544 36.819 -9.877 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.524 39.004 -8.703 1.00 0.00 H new ATOM 1203 N ASN A 77 1.900 33.427 -3.862 1.00 0.00 N ATOM 1204 CA ASN A 77 1.091 32.338 -3.244 1.00 0.00 C ATOM 1205 C ASN A 77 -0.360 32.464 -3.722 1.00 0.00 C ATOM 1206 O ASN A 77 -0.862 33.554 -3.914 1.00 0.00 O ATOM 1207 CB ASN A 77 1.139 32.463 -1.720 1.00 0.00 C ATOM 1208 CG ASN A 77 2.594 32.602 -1.265 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.320 31.629 -1.207 1.00 0.00 O ATOM 1210 ND2 ASN A 77 3.053 33.778 -0.936 1.00 0.00 N ATOM 0 H ASN A 77 1.701 34.365 -3.514 1.00 0.00 H new ATOM 0 HA ASN A 77 1.495 31.369 -3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.561 33.329 -1.397 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.684 31.587 -1.258 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.021 33.881 -0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.444 34.595 -0.985 1.00 0.00 H new ATOM 1217 N PHE A 78 -1.038 31.366 -3.922 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.452 31.444 -4.393 1.00 0.00 C ATOM 1219 C PHE A 78 -3.326 30.476 -3.592 1.00 0.00 C ATOM 1220 O PHE A 78 -3.023 29.306 -3.472 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.520 31.060 -5.873 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.888 32.139 -6.718 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.506 32.134 -6.946 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -2.687 33.142 -7.277 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.074 33.134 -7.737 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -2.106 34.141 -8.066 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.726 34.137 -8.297 1.00 0.00 C ATOM 0 H PHE A 78 -0.677 30.423 -3.781 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.813 32.463 -4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.006 30.113 -6.035 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.558 30.915 -6.172 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.111 31.361 -6.513 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.752 33.145 -7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.139 33.131 -7.915 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.723 34.916 -8.497 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.278 34.907 -8.907 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.424 30.947 -3.059 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.324 30.039 -2.289 1.00 0.00 C ATOM 1239 C ARG A 79 -6.611 29.833 -3.093 1.00 0.00 C ATOM 1240 O ARG A 79 -7.093 30.735 -3.749 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.643 30.647 -0.923 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.751 29.835 -0.249 1.00 0.00 C ATOM 1243 CD ARG A 79 -7.105 30.473 1.096 1.00 0.00 C ATOM 1244 NE ARG A 79 -8.033 29.578 1.843 1.00 0.00 N ATOM 1245 CZ ARG A 79 -7.664 29.063 2.985 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -7.871 29.719 4.094 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -7.089 27.892 3.018 1.00 0.00 N ATOM 0 H ARG A 79 -4.735 31.916 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.833 29.079 -2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.750 30.652 -0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.957 31.684 -1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.632 29.800 -0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.423 28.806 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.200 30.644 1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.570 31.446 0.938 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.956 29.368 1.463 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.321 30.634 4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.583 29.317 4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.928 27.379 2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.801 27.490 3.910 1.00 0.00 H new ATOM 1261 N PHE A 80 -7.147 28.643 -3.080 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.377 28.369 -3.877 1.00 0.00 C ATOM 1263 C PHE A 80 -9.491 27.793 -3.003 1.00 0.00 C ATOM 1264 O PHE A 80 -9.252 26.999 -2.118 1.00 0.00 O ATOM 1265 CB PHE A 80 -8.040 27.335 -4.948 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.436 28.026 -6.145 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -6.281 28.799 -5.992 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -8.028 27.893 -7.406 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.716 29.441 -7.097 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.462 28.534 -8.514 1.00 0.00 C ATOM 1271 CZ PHE A 80 -6.305 29.309 -8.358 1.00 0.00 C ATOM 0 H PHE A 80 -6.786 27.848 -2.552 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.719 29.308 -4.313 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.342 26.598 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.940 26.795 -5.243 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.825 28.900 -5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.921 27.296 -7.524 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.825 30.039 -6.977 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.917 28.431 -9.488 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.868 29.805 -9.212 1.00 0.00 H new ATOM 1281 N MET A 81 -10.712 28.161 -3.271 1.00 0.00 N ATOM 1282 CA MET A 81 -11.848 27.606 -2.483 1.00 0.00 C ATOM 1283 C MET A 81 -12.846 26.977 -3.460 1.00 0.00 C ATOM 1284 O MET A 81 -13.301 27.610 -4.392 1.00 0.00 O ATOM 1285 CB MET A 81 -12.524 28.713 -1.672 1.00 0.00 C ATOM 1286 CG MET A 81 -13.849 28.194 -1.110 1.00 0.00 C ATOM 1287 SD MET A 81 -14.650 29.504 -0.152 1.00 0.00 S ATOM 1288 CE MET A 81 -14.604 28.668 1.453 1.00 0.00 C ATOM 0 H MET A 81 -10.973 28.823 -4.002 1.00 0.00 H new ATOM 0 HA MET A 81 -11.485 26.853 -1.784 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.872 29.033 -0.859 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.700 29.585 -2.302 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.500 27.873 -1.923 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.673 27.323 -0.479 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.581 28.744 1.931 1.00 0.00 H new ATOM 0 HE2 MET A 81 -14.351 27.618 1.309 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.852 29.138 2.087 1.00 0.00 H new ATOM 1298 N SER A 82 -13.167 25.725 -3.267 1.00 0.00 N ATOM 1299 CA SER A 82 -14.106 25.041 -4.200 1.00 0.00 C ATOM 1300 C SER A 82 -15.531 25.550 -3.980 1.00 0.00 C ATOM 1301 O SER A 82 -15.928 25.842 -2.867 1.00 0.00 O ATOM 1302 CB SER A 82 -14.068 23.536 -3.939 1.00 0.00 C ATOM 1303 OG SER A 82 -14.895 23.231 -2.826 1.00 0.00 O ATOM 0 H SER A 82 -12.818 25.147 -2.502 1.00 0.00 H new ATOM 0 HA SER A 82 -13.804 25.252 -5.226 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.411 22.994 -4.820 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.045 23.215 -3.745 1.00 0.00 H new ATOM 0 HG SER A 82 -15.713 22.789 -3.137 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.310 25.641 -5.022 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.715 26.115 -4.860 1.00 0.00 C ATOM 1311 C LYS A 83 -18.366 25.367 -3.693 1.00 0.00 C ATOM 1312 O LYS A 83 -19.024 25.952 -2.855 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.503 25.841 -6.143 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.782 26.475 -7.335 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.656 26.349 -8.584 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.013 27.119 -9.739 1.00 0.00 C ATOM 1317 NZ LYS A 83 -18.832 26.942 -10.972 1.00 0.00 N ATOM 0 H LYS A 83 -16.036 25.409 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.717 27.186 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.605 24.767 -6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.511 26.248 -6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.571 27.525 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.823 25.983 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.773 25.299 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.653 26.740 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.939 28.177 -9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.998 26.760 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.395 27.465 -11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.881 25.932 -11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.792 27.305 -10.806 1.00 0.00 H new ATOM 1331 N GLY A 84 -18.189 24.073 -3.636 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.795 23.273 -2.531 1.00 0.00 C ATOM 1333 C GLY A 84 -18.364 23.835 -1.170 1.00 0.00 C ATOM 1334 O GLY A 84 -18.824 23.394 -0.135 1.00 0.00 O ATOM 0 H GLY A 84 -17.648 23.533 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.882 23.292 -2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.487 22.231 -2.616 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.495 24.809 -1.160 1.00 0.00 N ATOM 1339 CA GLY A 85 -17.052 25.398 0.135 1.00 0.00 C ATOM 1340 C GLY A 85 -15.749 24.736 0.585 1.00 0.00 C ATOM 1341 O GLY A 85 -15.438 24.694 1.759 1.00 0.00 O ATOM 0 H GLY A 85 -17.073 25.222 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.906 26.473 0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.823 25.257 0.892 1.00 0.00 H new ATOM 1345 N MET A 86 -14.979 24.228 -0.336 1.00 0.00 N ATOM 1346 CA MET A 86 -13.692 23.582 0.049 1.00 0.00 C ATOM 1347 C MET A 86 -12.557 24.579 -0.174 1.00 0.00 C ATOM 1348 O MET A 86 -12.646 25.442 -1.019 1.00 0.00 O ATOM 1349 CB MET A 86 -13.464 22.337 -0.810 1.00 0.00 C ATOM 1350 CG MET A 86 -14.748 21.507 -0.850 1.00 0.00 C ATOM 1351 SD MET A 86 -14.508 20.077 -1.934 1.00 0.00 S ATOM 1352 CE MET A 86 -13.156 19.312 -1.007 1.00 0.00 C ATOM 0 H MET A 86 -15.183 24.232 -1.335 1.00 0.00 H new ATOM 0 HA MET A 86 -13.723 23.286 1.098 1.00 0.00 H new ATOM 0 HB2 MET A 86 -13.173 22.626 -1.820 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.647 21.744 -0.401 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.011 21.175 0.155 1.00 0.00 H new ATOM 0 HG3 MET A 86 -15.576 22.116 -1.212 1.00 0.00 H new ATOM 0 HE1 MET A 86 -13.136 18.241 -1.210 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.209 19.757 -1.312 1.00 0.00 H new ATOM 0 HE3 MET A 86 -13.307 19.477 0.060 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.500 24.491 0.584 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.390 25.468 0.401 1.00 0.00 C ATOM 1364 C ARG A 87 -9.071 24.739 0.126 1.00 0.00 C ATOM 1365 O ARG A 87 -8.752 23.746 0.747 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.246 26.313 1.667 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.459 27.235 1.805 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.410 27.944 3.161 1.00 0.00 C ATOM 1369 NE ARG A 87 -11.202 26.937 4.240 1.00 0.00 N ATOM 1370 CZ ARG A 87 -12.225 26.467 4.899 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -13.070 25.668 4.307 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -12.404 26.795 6.150 1.00 0.00 N ATOM 0 H ARG A 87 -11.357 23.794 1.314 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.622 26.107 -0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.165 25.667 2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.331 26.903 1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.465 27.969 0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.380 26.658 1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.603 28.676 3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.338 28.490 3.332 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.260 26.615 4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.930 25.411 3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.870 25.300 4.822 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.744 27.419 6.613 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.204 26.427 6.664 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.294 25.254 -0.790 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.979 24.632 -1.107 1.00 0.00 C ATOM 1388 C ASN A 88 -5.942 25.750 -1.220 1.00 0.00 C ATOM 1389 O ASN A 88 -6.225 26.814 -1.732 1.00 0.00 O ATOM 1390 CB ASN A 88 -7.069 23.867 -2.429 1.00 0.00 C ATOM 1391 CG ASN A 88 -8.199 22.837 -2.347 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -9.148 22.898 -3.103 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -8.136 21.889 -1.453 1.00 0.00 N ATOM 0 H ASN A 88 -8.518 26.086 -1.336 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.694 23.930 -0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.253 24.560 -3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.123 23.368 -2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.884 21.198 -1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.339 21.838 -0.819 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.753 25.537 -0.730 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.726 26.616 -0.800 1.00 0.00 C ATOM 1402 C VAL A 89 -2.468 26.117 -1.510 1.00 0.00 C ATOM 1403 O VAL A 89 -2.000 25.020 -1.273 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.362 27.054 0.620 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.327 28.180 0.557 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.617 27.553 1.337 1.00 0.00 C ATOM 0 H VAL A 89 -4.448 24.670 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.135 27.456 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.945 26.208 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.067 28.492 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.432 27.824 0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.743 29.027 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.358 27.865 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.035 28.399 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.354 26.751 1.382 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.905 26.927 -2.364 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.662 26.521 -3.075 1.00 0.00 C ATOM 1418 C PHE A 90 0.418 27.567 -2.801 1.00 0.00 C ATOM 1419 O PHE A 90 0.250 28.735 -3.092 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.921 26.436 -4.581 1.00 0.00 C ATOM 1421 CG PHE A 90 -2.120 25.557 -4.845 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -3.413 26.078 -4.711 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -1.940 24.223 -5.230 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -4.525 25.266 -4.962 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -3.052 23.410 -5.480 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.345 23.932 -5.346 1.00 0.00 C ATOM 0 H PHE A 90 -2.254 27.856 -2.600 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.339 25.542 -2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.093 27.433 -4.986 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.044 26.033 -5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.552 27.107 -4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.943 23.821 -5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.522 25.669 -4.859 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.913 22.381 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.203 23.305 -5.539 1.00 0.00 H new ATOM 1436 N ASP A 91 1.523 27.164 -2.240 1.00 0.00 N ATOM 1437 CA ASP A 91 2.604 28.145 -1.945 1.00 0.00 C ATOM 1438 C ASP A 91 3.656 28.096 -3.052 1.00 0.00 C ATOM 1439 O ASP A 91 3.921 27.060 -3.629 1.00 0.00 O ATOM 1440 CB ASP A 91 3.254 27.803 -0.603 1.00 0.00 C ATOM 1441 CG ASP A 91 2.173 27.687 0.473 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.271 28.509 0.470 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.266 26.779 1.283 1.00 0.00 O ATOM 0 H ASP A 91 1.724 26.200 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 91 2.179 29.148 -1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.805 26.866 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.974 28.574 -0.329 1.00 0.00 H new ATOM 1448 N GLU A 92 4.262 29.212 -3.347 1.00 0.00 N ATOM 1449 CA GLU A 92 5.303 29.242 -4.408 1.00 0.00 C ATOM 1450 C GLU A 92 4.748 28.646 -5.704 1.00 0.00 C ATOM 1451 O GLU A 92 5.339 27.757 -6.284 1.00 0.00 O ATOM 1452 CB GLU A 92 6.511 28.422 -3.954 1.00 0.00 C ATOM 1453 CG GLU A 92 7.717 28.760 -4.833 1.00 0.00 C ATOM 1454 CD GLU A 92 8.878 27.826 -4.485 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.727 27.044 -3.562 1.00 0.00 O ATOM 1456 OE2 GLU A 92 9.898 27.909 -5.150 1.00 0.00 O ATOM 0 H GLU A 92 4.079 30.108 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 92 5.601 30.275 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.737 28.636 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.287 27.357 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.454 28.655 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.013 29.798 -4.680 1.00 0.00 H new ATOM 1463 N VAL A 93 3.626 29.123 -6.173 1.00 0.00 N ATOM 1464 CA VAL A 93 3.061 28.572 -7.437 1.00 0.00 C ATOM 1465 C VAL A 93 3.762 29.225 -8.630 1.00 0.00 C ATOM 1466 O VAL A 93 3.977 28.604 -9.652 1.00 0.00 O ATOM 1467 CB VAL A 93 1.562 28.872 -7.503 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.020 28.446 -8.869 1.00 0.00 C ATOM 1469 CG2 VAL A 93 0.835 28.098 -6.402 1.00 0.00 C ATOM 0 H VAL A 93 3.079 29.866 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 93 3.216 27.493 -7.465 1.00 0.00 H new ATOM 0 HB VAL A 93 1.398 29.940 -7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.048 28.658 -8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.537 28.998 -9.654 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.184 27.378 -9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.233 28.313 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.997 27.029 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.222 28.400 -5.429 1.00 0.00 H new ATOM 1479 N ILE A 94 4.123 30.472 -8.507 1.00 0.00 N ATOM 1480 CA ILE A 94 4.814 31.163 -9.632 1.00 0.00 C ATOM 1481 C ILE A 94 5.974 31.990 -9.076 1.00 0.00 C ATOM 1482 O ILE A 94 5.800 32.793 -8.180 1.00 0.00 O ATOM 1483 CB ILE A 94 3.825 32.084 -10.349 1.00 0.00 C ATOM 1484 CG1 ILE A 94 2.514 31.334 -10.594 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.418 32.522 -11.690 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.550 32.232 -11.374 1.00 0.00 C ATOM 0 H ILE A 94 3.969 31.043 -7.676 1.00 0.00 H new ATOM 0 HA ILE A 94 5.196 30.425 -10.338 1.00 0.00 H new ATOM 0 HB ILE A 94 3.632 32.961 -9.731 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.706 30.417 -11.152 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.067 31.041 -9.644 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.714 33.178 -12.202 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.353 33.056 -11.518 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.610 31.644 -12.307 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.616 31.698 -11.549 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.349 33.136 -10.799 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.998 32.502 -12.330 1.00 0.00 H new ATOM 1498 N PRO A 95 7.184 31.781 -9.613 1.00 0.00 N ATOM 1499 CA PRO A 95 8.383 32.501 -9.166 1.00 0.00 C ATOM 1500 C PRO A 95 8.340 33.982 -9.553 1.00 0.00 C ATOM 1501 O PRO A 95 7.598 34.388 -10.425 1.00 0.00 O ATOM 1502 CB PRO A 95 9.522 31.793 -9.895 1.00 0.00 C ATOM 1503 CG PRO A 95 8.881 31.199 -11.104 1.00 0.00 C ATOM 1504 CD PRO A 95 7.480 30.831 -10.699 1.00 0.00 C ATOM 0 HA PRO A 95 8.486 32.487 -8.081 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.313 32.491 -10.168 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.977 31.025 -9.269 1.00 0.00 H new ATOM 0 HG2 PRO A 95 8.873 31.911 -11.930 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.431 30.322 -11.445 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.780 30.936 -11.528 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.417 29.797 -10.358 1.00 0.00 H new ATOM 1512 N THR A 96 9.130 34.791 -8.902 1.00 0.00 N ATOM 1513 CA THR A 96 9.140 36.247 -9.214 1.00 0.00 C ATOM 1514 C THR A 96 9.337 36.464 -10.716 1.00 0.00 C ATOM 1515 O THR A 96 8.687 37.295 -11.319 1.00 0.00 O ATOM 1516 CB THR A 96 10.282 36.922 -8.450 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.273 36.479 -7.100 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.100 38.440 -8.494 1.00 0.00 C ATOM 0 H THR A 96 9.772 34.504 -8.163 1.00 0.00 H new ATOM 0 HA THR A 96 8.186 36.681 -8.914 1.00 0.00 H new ATOM 0 HB THR A 96 11.234 36.660 -8.911 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.004 36.909 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.913 38.920 -7.950 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.108 38.778 -9.530 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.149 38.706 -8.033 1.00 0.00 H new ATOM 1526 N ALA A 97 10.231 35.735 -11.328 1.00 0.00 N ATOM 1527 CA ALA A 97 10.457 35.926 -12.788 1.00 0.00 C ATOM 1528 C ALA A 97 9.643 34.899 -13.578 1.00 0.00 C ATOM 1529 O ALA A 97 9.999 33.741 -13.660 1.00 0.00 O ATOM 1530 CB ALA A 97 11.945 35.752 -13.103 1.00 0.00 C ATOM 0 H ALA A 97 10.810 35.022 -10.884 1.00 0.00 H new ATOM 0 HA ALA A 97 10.140 36.930 -13.072 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.110 35.892 -14.171 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.523 36.490 -12.547 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.263 34.750 -12.815 1.00 0.00 H new ATOM 1536 N PHE A 98 8.553 35.315 -14.163 1.00 0.00 N ATOM 1537 CA PHE A 98 7.718 34.363 -14.948 1.00 0.00 C ATOM 1538 C PHE A 98 7.797 34.726 -16.433 1.00 0.00 C ATOM 1539 O PHE A 98 8.007 35.868 -16.792 1.00 0.00 O ATOM 1540 CB PHE A 98 6.265 34.455 -14.480 1.00 0.00 C ATOM 1541 CG PHE A 98 5.765 35.866 -14.678 1.00 0.00 C ATOM 1542 CD1 PHE A 98 5.168 36.233 -15.889 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.903 36.808 -13.651 1.00 0.00 C ATOM 1544 CE1 PHE A 98 4.707 37.541 -16.074 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.442 38.117 -13.836 1.00 0.00 C ATOM 1546 CZ PHE A 98 4.844 38.484 -15.048 1.00 0.00 C ATOM 0 H PHE A 98 8.205 36.273 -14.131 1.00 0.00 H new ATOM 0 HA PHE A 98 8.085 33.347 -14.799 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.645 33.755 -15.041 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.191 34.175 -13.429 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.063 35.506 -16.681 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.365 36.525 -12.717 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.245 37.823 -17.009 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.548 38.844 -13.044 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.489 39.494 -15.191 1.00 0.00 H new ATOM 1556 N SER A 99 7.630 33.765 -17.300 1.00 0.00 N ATOM 1557 CA SER A 99 7.697 34.061 -18.758 1.00 0.00 C ATOM 1558 C SER A 99 6.280 34.123 -19.330 1.00 0.00 C ATOM 1559 O SER A 99 5.332 33.681 -18.712 1.00 0.00 O ATOM 1560 CB SER A 99 8.486 32.961 -19.467 1.00 0.00 C ATOM 1561 OG SER A 99 9.869 33.107 -19.177 1.00 0.00 O ATOM 0 H SER A 99 7.450 32.790 -17.062 1.00 0.00 H new ATOM 0 HA SER A 99 8.194 35.019 -18.912 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.137 31.981 -19.141 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.321 33.017 -20.543 1.00 0.00 H new ATOM 0 HG SER A 99 10.375 32.400 -19.630 1.00 0.00 H new ATOM 1567 N ILE A 100 6.125 34.665 -20.507 1.00 0.00 N ATOM 1568 CA ILE A 100 4.765 34.749 -21.110 1.00 0.00 C ATOM 1569 C ILE A 100 4.577 33.599 -22.100 1.00 0.00 C ATOM 1570 O ILE A 100 5.462 33.280 -22.870 1.00 0.00 O ATOM 1571 CB ILE A 100 4.607 36.085 -21.840 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.658 37.231 -20.825 1.00 0.00 C ATOM 1573 CG2 ILE A 100 3.264 36.111 -22.573 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.349 37.270 -20.033 1.00 0.00 C ATOM 0 H ILE A 100 6.878 35.052 -21.075 1.00 0.00 H new ATOM 0 HA ILE A 100 4.014 34.679 -20.323 1.00 0.00 H new ATOM 0 HB ILE A 100 5.416 36.203 -22.561 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.501 37.094 -20.148 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.813 38.180 -21.339 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.152 37.062 -23.093 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.228 35.296 -23.296 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.454 35.993 -21.853 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.385 38.085 -19.311 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.515 37.427 -20.717 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.214 36.325 -19.507 1.00 0.00 H new ATOM 1586 N GLY A 101 3.432 32.973 -22.086 1.00 0.00 N ATOM 1587 CA GLY A 101 3.192 31.844 -23.028 1.00 0.00 C ATOM 1588 C GLY A 101 3.588 30.526 -22.358 1.00 0.00 C ATOM 1589 O GLY A 101 3.638 29.489 -22.990 1.00 0.00 O ATOM 0 H GLY A 101 2.654 33.194 -21.464 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.142 31.815 -23.318 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.771 31.989 -23.940 1.00 0.00 H new ATOM 1593 N LYS A 102 3.868 30.555 -21.083 1.00 0.00 N ATOM 1594 CA LYS A 102 4.256 29.300 -20.380 1.00 0.00 C ATOM 1595 C LYS A 102 3.277 29.037 -19.237 1.00 0.00 C ATOM 1596 O LYS A 102 2.763 29.952 -18.623 1.00 0.00 O ATOM 1597 CB LYS A 102 5.670 29.441 -19.817 1.00 0.00 C ATOM 1598 CG LYS A 102 6.675 29.442 -20.968 1.00 0.00 C ATOM 1599 CD LYS A 102 8.092 29.328 -20.409 1.00 0.00 C ATOM 1600 CE LYS A 102 9.074 30.002 -21.369 1.00 0.00 C ATOM 1601 NZ LYS A 102 9.415 29.060 -22.473 1.00 0.00 N ATOM 0 H LYS A 102 3.845 31.391 -20.500 1.00 0.00 H new ATOM 0 HA LYS A 102 4.230 28.468 -21.084 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.755 30.364 -19.244 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.885 28.620 -19.133 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.471 28.611 -21.643 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.575 30.358 -21.551 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.146 29.798 -19.427 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.359 28.280 -20.276 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.634 30.912 -21.776 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.978 30.296 -20.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.083 29.518 -23.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.851 28.203 -22.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.549 28.801 -22.988 1.00 0.00 H new ATOM 1615 N THR A 103 3.001 27.794 -18.951 1.00 0.00 N ATOM 1616 CA THR A 103 2.042 27.483 -17.853 1.00 0.00 C ATOM 1617 C THR A 103 2.758 27.604 -16.506 1.00 0.00 C ATOM 1618 O THR A 103 3.972 27.612 -16.445 1.00 0.00 O ATOM 1619 CB THR A 103 1.525 26.052 -18.029 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.163 25.847 -19.387 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.304 25.832 -17.133 1.00 0.00 C ATOM 0 H THR A 103 3.396 26.983 -19.428 1.00 0.00 H new ATOM 0 HA THR A 103 1.206 28.182 -17.884 1.00 0.00 H new ATOM 0 HB THR A 103 2.307 25.346 -17.749 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.833 24.931 -19.503 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.062 24.813 -17.260 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.584 25.990 -16.091 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.481 26.536 -17.408 1.00 0.00 H new ATOM 1629 N TYR A 104 2.035 27.681 -15.422 1.00 0.00 N ATOM 1630 CA TYR A 104 2.705 27.779 -14.095 1.00 0.00 C ATOM 1631 C TYR A 104 1.812 27.130 -13.035 1.00 0.00 C ATOM 1632 O TYR A 104 0.946 27.765 -12.467 1.00 0.00 O ATOM 1633 CB TYR A 104 2.947 29.245 -13.736 1.00 0.00 C ATOM 1634 CG TYR A 104 4.245 29.703 -14.355 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.453 29.119 -13.957 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.241 30.708 -15.328 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.658 29.541 -14.531 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.445 31.130 -15.903 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.653 30.546 -15.505 1.00 0.00 C ATOM 1640 OH TYR A 104 7.842 30.962 -16.073 1.00 0.00 O ATOM 0 H TYR A 104 1.015 27.680 -15.398 1.00 0.00 H new ATOM 0 HA TYR A 104 3.665 27.264 -14.135 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.122 29.860 -14.096 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.985 29.365 -12.653 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.456 28.342 -13.207 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.309 31.158 -15.635 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.590 29.092 -14.223 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.442 31.906 -16.654 1.00 0.00 H new ATOM 0 HH TYR A 104 8.478 30.216 -16.083 1.00 0.00 H new ATOM 1650 N LYS A 105 2.010 25.870 -12.775 1.00 0.00 N ATOM 1651 CA LYS A 105 1.166 25.175 -11.761 1.00 0.00 C ATOM 1652 C LYS A 105 1.995 24.878 -10.510 1.00 0.00 C ATOM 1653 O LYS A 105 3.209 24.926 -10.531 1.00 0.00 O ATOM 1654 CB LYS A 105 0.643 23.860 -12.344 1.00 0.00 C ATOM 1655 CG LYS A 105 1.652 23.306 -13.351 1.00 0.00 C ATOM 1656 CD LYS A 105 2.977 23.011 -12.643 1.00 0.00 C ATOM 1657 CE LYS A 105 3.777 21.996 -13.462 1.00 0.00 C ATOM 1658 NZ LYS A 105 2.909 20.833 -13.795 1.00 0.00 N ATOM 0 H LYS A 105 2.720 25.289 -13.220 1.00 0.00 H new ATOM 0 HA LYS A 105 0.327 25.818 -11.495 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.477 23.137 -11.545 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -0.319 24.023 -12.830 1.00 0.00 H new ATOM 0 HG2 LYS A 105 1.262 22.397 -13.808 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.810 24.025 -14.155 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.550 23.930 -12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.788 22.620 -11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.147 22.461 -14.376 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.648 21.663 -12.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.498 19.986 -13.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.234 20.671 -13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 2.388 21.029 -14.673 1.00 0.00 H new ATOM 1672 N PRO A 106 1.314 24.557 -9.401 1.00 0.00 N ATOM 1673 CA PRO A 106 1.971 24.240 -8.127 1.00 0.00 C ATOM 1674 C PRO A 106 2.723 22.906 -8.196 1.00 0.00 C ATOM 1675 O PRO A 106 2.659 22.197 -9.180 1.00 0.00 O ATOM 1676 CB PRO A 106 0.807 24.134 -7.141 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.370 23.786 -7.987 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.154 24.480 -9.302 1.00 0.00 C ATOM 0 HA PRO A 106 2.714 24.988 -7.850 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.994 23.369 -6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.650 25.073 -6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.447 22.707 -8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.298 24.116 -7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.585 23.918 -10.130 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.612 25.469 -9.316 1.00 0.00 H new ATOM 1686 N GLU A 107 3.435 22.560 -7.158 1.00 0.00 N ATOM 1687 CA GLU A 107 4.188 21.274 -7.170 1.00 0.00 C ATOM 1688 C GLU A 107 3.836 20.461 -5.924 1.00 0.00 C ATOM 1689 O GLU A 107 3.722 20.991 -4.836 1.00 0.00 O ATOM 1690 CB GLU A 107 5.691 21.563 -7.183 1.00 0.00 C ATOM 1691 CG GLU A 107 6.140 21.857 -8.615 1.00 0.00 C ATOM 1692 CD GLU A 107 7.657 21.692 -8.718 1.00 0.00 C ATOM 1693 OE1 GLU A 107 8.247 21.212 -7.763 1.00 0.00 O ATOM 1694 OE2 GLU A 107 8.204 22.048 -9.749 1.00 0.00 O ATOM 0 H GLU A 107 3.528 23.111 -6.304 1.00 0.00 H new ATOM 0 HA GLU A 107 3.919 20.706 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.915 22.413 -6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.240 20.709 -6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.642 21.181 -9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.854 22.870 -8.896 1.00 0.00 H new ATOM 1701 N GLU A 108 3.663 19.176 -6.072 1.00 0.00 N ATOM 1702 CA GLU A 108 3.319 18.329 -4.896 1.00 0.00 C ATOM 1703 C GLU A 108 4.396 18.486 -3.821 1.00 0.00 C ATOM 1704 O GLU A 108 5.517 18.810 -4.176 1.00 0.00 O ATOM 1705 CB GLU A 108 3.241 16.863 -5.329 1.00 0.00 C ATOM 1706 CG GLU A 108 4.645 16.355 -5.662 1.00 0.00 C ATOM 1707 CD GLU A 108 4.580 14.870 -6.019 1.00 0.00 C ATOM 1708 OE1 GLU A 108 3.484 14.331 -6.035 1.00 0.00 O ATOM 1709 OE2 GLU A 108 5.625 14.294 -6.270 1.00 0.00 O ATOM 1710 OXT GLU A 108 4.082 18.279 -2.661 1.00 0.00 O ATOM 0 H GLU A 108 3.745 18.676 -6.957 1.00 0.00 H new ATOM 0 HA GLU A 108 2.356 18.641 -4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.804 16.260 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.591 16.763 -6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.060 16.922 -6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.309 16.506 -4.811 1.00 0.00 H new TER 1717 GLU A 108