USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 740 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 46 SER OG : rot 180:sc= 0.0246 USER MOD Set 1.2: A 48 THR OG1 : rot -86:sc= 0.0253 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -1.97 F(o=-2.5!,f=-2) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -133:sc= 0.471 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 SER OG : rot -61:sc= 0.947 USER MOD Single : A 68 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.54) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0104 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= -0.177 (180deg=-0.983) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 169:sc= -4.17! (180deg=-4.35!) USER MOD Single : A 91 HIS : no HD1:sc= -1.57! C(o=-1.6!,f=-3!) USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= 0.0117 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -4.4! C(o=-11!,f=-4.4!) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 165:sc=-0.00478 (180deg=-0.107) USER MOD Single : A 121 SER OG : rot 180:sc= -0.0819 USER MOD Single : A 122 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.66) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 9:sc= 0.0894 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 30 -9.576 31.468 -13.431 1.00 0.00 N ATOM 2 CA GLY A 30 -9.072 30.154 -13.783 1.00 0.00 C ATOM 3 C GLY A 30 -9.282 29.137 -12.678 1.00 0.00 C ATOM 4 O GLY A 30 -10.279 29.190 -11.957 1.00 0.00 O ATOM 0 HA2 GLY A 30 -9.569 29.809 -14.690 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.008 30.225 -14.010 1.00 0.00 H new ATOM 8 N SER A 31 -8.342 28.207 -12.545 1.00 0.00 N ATOM 9 CA SER A 31 -8.431 27.170 -11.524 1.00 0.00 C ATOM 10 C SER A 31 -7.126 27.067 -10.739 1.00 0.00 C ATOM 11 O SER A 31 -6.039 27.184 -11.304 1.00 0.00 O ATOM 12 CB SER A 31 -8.762 25.821 -12.164 1.00 0.00 C ATOM 13 OG SER A 31 -10.088 25.806 -12.665 1.00 0.00 O ATOM 0 H SER A 31 -7.510 28.150 -13.132 1.00 0.00 H new ATOM 0 HA SER A 31 -9.230 27.442 -10.834 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.062 25.618 -12.974 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.639 25.026 -11.429 1.00 0.00 H new ATOM 0 HG SER A 31 -10.275 24.934 -13.071 1.00 0.00 H new ATOM 19 N SER A 32 -7.244 26.847 -9.434 1.00 0.00 N ATOM 20 CA SER A 32 -6.075 26.731 -8.570 1.00 0.00 C ATOM 21 C SER A 32 -6.423 25.990 -7.282 1.00 0.00 C ATOM 22 O SER A 32 -7.501 26.174 -6.718 1.00 0.00 O ATOM 23 CB SER A 32 -5.519 28.118 -8.240 1.00 0.00 C ATOM 24 OG SER A 32 -6.505 28.929 -7.625 1.00 0.00 O ATOM 0 H SER A 32 -8.137 26.745 -8.952 1.00 0.00 H new ATOM 0 HA SER A 32 -5.315 26.160 -9.103 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.659 28.020 -7.578 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.166 28.598 -9.152 1.00 0.00 H new ATOM 0 HG SER A 32 -6.125 29.809 -7.422 1.00 0.00 H new ATOM 30 N GLY A 33 -5.500 25.151 -6.822 1.00 0.00 N ATOM 31 CA GLY A 33 -5.726 24.394 -5.604 1.00 0.00 C ATOM 32 C GLY A 33 -4.442 24.111 -4.850 1.00 0.00 C ATOM 33 O GLY A 33 -4.114 22.956 -4.581 1.00 0.00 O ATOM 0 H GLY A 33 -4.600 24.982 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.409 24.946 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.214 23.451 -5.851 1.00 0.00 H new ATOM 37 N SER A 34 -3.713 25.169 -4.509 1.00 0.00 N ATOM 38 CA SER A 34 -2.454 25.028 -3.786 1.00 0.00 C ATOM 39 C SER A 34 -2.611 24.079 -2.602 1.00 0.00 C ATOM 40 O SER A 34 -1.799 23.174 -2.406 1.00 0.00 O ATOM 41 CB SER A 34 -1.967 26.394 -3.298 1.00 0.00 C ATOM 42 OG SER A 34 -1.158 27.026 -4.275 1.00 0.00 O ATOM 0 H SER A 34 -3.972 26.132 -4.721 1.00 0.00 H new ATOM 0 HA SER A 34 -1.715 24.609 -4.469 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.823 27.027 -3.066 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.400 26.273 -2.375 1.00 0.00 H new ATOM 0 HG SER A 34 -0.861 27.898 -3.940 1.00 0.00 H new ATOM 48 N SER A 35 -3.661 24.292 -1.815 1.00 0.00 N ATOM 49 CA SER A 35 -3.923 23.458 -0.648 1.00 0.00 C ATOM 50 C SER A 35 -4.408 22.074 -1.067 1.00 0.00 C ATOM 51 O SER A 35 -5.010 21.909 -2.127 1.00 0.00 O ATOM 52 CB SER A 35 -4.963 24.123 0.256 1.00 0.00 C ATOM 53 OG SER A 35 -4.878 23.627 1.581 1.00 0.00 O ATOM 0 H SER A 35 -4.344 25.035 -1.964 1.00 0.00 H new ATOM 0 HA SER A 35 -2.990 23.345 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.811 25.202 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.962 23.943 -0.140 1.00 0.00 H new ATOM 0 HG SER A 35 -5.551 24.069 2.139 1.00 0.00 H new ATOM 59 N GLY A 36 -4.140 21.080 -0.226 1.00 0.00 N ATOM 60 CA GLY A 36 -4.554 19.722 -0.525 1.00 0.00 C ATOM 61 C GLY A 36 -3.378 18.782 -0.705 1.00 0.00 C ATOM 62 O GLY A 36 -3.341 17.998 -1.653 1.00 0.00 O ATOM 0 H GLY A 36 -3.643 21.191 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.189 19.354 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.158 19.721 -1.433 1.00 0.00 H new ATOM 66 N SER A 37 -2.414 18.863 0.207 1.00 0.00 N ATOM 67 CA SER A 37 -1.228 18.017 0.142 1.00 0.00 C ATOM 68 C SER A 37 -1.574 16.639 -0.415 1.00 0.00 C ATOM 69 O SER A 37 -2.680 16.137 -0.217 1.00 0.00 O ATOM 70 CB SER A 37 -0.600 17.876 1.529 1.00 0.00 C ATOM 71 OG SER A 37 0.718 17.361 1.442 1.00 0.00 O ATOM 0 H SER A 37 -2.431 19.505 0.999 1.00 0.00 H new ATOM 0 HA SER A 37 -0.510 18.491 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.583 18.847 2.024 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.212 17.216 2.143 1.00 0.00 H new ATOM 0 HG SER A 37 1.098 17.282 2.342 1.00 0.00 H new ATOM 77 N GLY A 38 -0.618 16.032 -1.112 1.00 0.00 N ATOM 78 CA GLY A 38 -0.839 14.718 -1.687 1.00 0.00 C ATOM 79 C GLY A 38 -0.600 13.601 -0.690 1.00 0.00 C ATOM 80 O GLY A 38 -0.131 12.524 -1.056 1.00 0.00 O ATOM 0 H GLY A 38 0.306 16.427 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.861 14.655 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.178 14.584 -2.544 1.00 0.00 H new ATOM 84 N ARG A 39 -0.922 13.859 0.573 1.00 0.00 N ATOM 85 CA ARG A 39 -0.737 12.868 1.627 1.00 0.00 C ATOM 86 C ARG A 39 -1.808 11.784 1.547 1.00 0.00 C ATOM 87 O ARG A 39 -2.990 12.076 1.362 1.00 0.00 O ATOM 88 CB ARG A 39 -0.777 13.540 3.001 1.00 0.00 C ATOM 89 CG ARG A 39 0.071 12.835 4.047 1.00 0.00 C ATOM 90 CD ARG A 39 1.495 13.368 4.061 1.00 0.00 C ATOM 91 NE ARG A 39 1.621 14.572 4.878 1.00 0.00 N ATOM 92 CZ ARG A 39 1.666 14.558 6.206 1.00 0.00 C ATOM 93 NH1 ARG A 39 1.595 13.408 6.862 1.00 0.00 N ATOM 94 NH2 ARG A 39 1.782 15.695 6.879 1.00 0.00 N ATOM 0 H ARG A 39 -1.312 14.746 0.892 1.00 0.00 H new ATOM 0 HA ARG A 39 0.238 12.402 1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.435 14.570 2.903 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.810 13.578 3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.378 12.968 5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.084 11.764 3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.166 12.599 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.810 13.588 3.041 1.00 0.00 H new ATOM 0 HE ARG A 39 1.678 15.473 4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.506 12.532 6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.630 13.399 7.881 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.837 16.581 6.377 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.816 15.683 7.898 1.00 0.00 H new ATOM 108 N LEU A 40 -1.386 10.532 1.688 1.00 0.00 N ATOM 109 CA LEU A 40 -2.309 9.403 1.632 1.00 0.00 C ATOM 110 C LEU A 40 -1.872 8.295 2.585 1.00 0.00 C ATOM 111 O LEU A 40 -0.702 7.912 2.613 1.00 0.00 O ATOM 112 CB LEU A 40 -2.395 8.860 0.205 1.00 0.00 C ATOM 113 CG LEU A 40 -2.913 9.834 -0.854 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.751 9.244 -2.246 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.370 10.185 -0.588 1.00 0.00 C ATOM 0 H LEU A 40 -0.412 10.273 1.842 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.294 9.754 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.403 8.523 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.042 7.982 0.210 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.323 10.749 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.125 9.951 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.697 9.043 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.315 8.314 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.722 10.879 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.974 9.278 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.459 10.650 0.394 1.00 0.00 H new ATOM 127 N PHE A 41 -2.819 7.783 3.363 1.00 0.00 N ATOM 128 CA PHE A 41 -2.533 6.717 4.316 1.00 0.00 C ATOM 129 C PHE A 41 -2.761 5.347 3.685 1.00 0.00 C ATOM 130 O PHE A 41 -3.809 5.091 3.092 1.00 0.00 O ATOM 131 CB PHE A 41 -3.408 6.870 5.562 1.00 0.00 C ATOM 132 CG PHE A 41 -3.205 5.779 6.574 1.00 0.00 C ATOM 133 CD1 PHE A 41 -1.931 5.439 7.000 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.288 5.093 7.100 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.741 4.436 7.932 1.00 0.00 C ATOM 136 CE2 PHE A 41 -4.104 4.089 8.032 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.829 3.759 8.448 1.00 0.00 C ATOM 0 H PHE A 41 -3.792 8.089 3.352 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.485 6.794 4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.196 7.832 6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.456 6.885 5.261 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.076 5.964 6.599 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.287 5.346 6.778 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.743 4.182 8.257 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.957 3.563 8.435 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.683 2.974 9.175 1.00 0.00 H new ATOM 147 N VAL A 42 -1.772 4.469 3.818 1.00 0.00 N ATOM 148 CA VAL A 42 -1.864 3.124 3.262 1.00 0.00 C ATOM 149 C VAL A 42 -1.482 2.073 4.298 1.00 0.00 C ATOM 150 O VAL A 42 -0.664 2.328 5.182 1.00 0.00 O ATOM 151 CB VAL A 42 -0.959 2.964 2.027 1.00 0.00 C ATOM 152 CG1 VAL A 42 -1.323 1.704 1.256 1.00 0.00 C ATOM 153 CG2 VAL A 42 -1.055 4.192 1.133 1.00 0.00 C ATOM 0 H VAL A 42 -0.898 4.665 4.306 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.902 2.976 2.964 1.00 0.00 H new ATOM 0 HB VAL A 42 0.073 2.868 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.672 1.609 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.197 0.834 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.361 1.765 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.409 4.062 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.085 4.321 0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.740 5.074 1.691 1.00 0.00 H new ATOM 163 N ARG A 43 -2.079 0.891 4.183 1.00 0.00 N ATOM 164 CA ARG A 43 -1.801 -0.198 5.111 1.00 0.00 C ATOM 165 C ARG A 43 -1.913 -1.550 4.411 1.00 0.00 C ATOM 166 O ARG A 43 -2.354 -1.632 3.265 1.00 0.00 O ATOM 167 CB ARG A 43 -2.765 -0.145 6.297 1.00 0.00 C ATOM 168 CG ARG A 43 -4.173 -0.608 5.959 1.00 0.00 C ATOM 169 CD ARG A 43 -4.952 -0.984 7.210 1.00 0.00 C ATOM 170 NE ARG A 43 -5.010 0.116 8.169 1.00 0.00 N ATOM 171 CZ ARG A 43 -5.222 -0.053 9.469 1.00 0.00 C ATOM 172 NH1 ARG A 43 -5.394 -1.272 9.963 1.00 0.00 N ATOM 173 NH2 ARG A 43 -5.262 0.997 10.279 1.00 0.00 N ATOM 0 H ARG A 43 -2.758 0.663 3.457 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.781 -0.080 5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.371 -0.765 7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.808 0.877 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.699 0.184 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.124 -1.466 5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.965 -1.277 6.932 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.487 -1.851 7.680 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.881 1.066 7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.364 -2.082 9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.557 -1.399 10.962 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.130 1.936 9.903 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.425 0.865 11.277 1.00 0.00 H new ATOM 187 N ASN A 44 -1.509 -2.607 5.108 1.00 0.00 N ATOM 188 CA ASN A 44 -1.563 -3.954 4.554 1.00 0.00 C ATOM 189 C ASN A 44 -0.511 -4.136 3.464 1.00 0.00 C ATOM 190 O ASN A 44 -0.827 -4.525 2.339 1.00 0.00 O ATOM 191 CB ASN A 44 -2.955 -4.240 3.987 1.00 0.00 C ATOM 192 CG ASN A 44 -3.313 -5.712 4.047 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.408 -6.346 2.884 1.00 0.00 O flip ATOM 194 ND2 ASN A 44 -3.502 -6.273 5.127 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.141 -2.556 6.058 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.354 -4.659 5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.696 -3.666 4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.000 -3.900 2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.418 -5.747 5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.742 -7.264 5.152 1.00 0.00 H new ATOM 201 N LEU A 45 0.741 -3.853 3.805 1.00 0.00 N ATOM 202 CA LEU A 45 1.842 -3.986 2.857 1.00 0.00 C ATOM 203 C LEU A 45 2.623 -5.272 3.106 1.00 0.00 C ATOM 204 O LEU A 45 3.374 -5.376 4.076 1.00 0.00 O ATOM 205 CB LEU A 45 2.777 -2.780 2.958 1.00 0.00 C ATOM 206 CG LEU A 45 2.430 -1.585 2.069 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.082 -2.049 0.663 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.280 -0.790 2.670 1.00 0.00 C ATOM 0 H LEU A 45 1.020 -3.530 4.731 1.00 0.00 H new ATOM 0 HA LEU A 45 1.421 -4.028 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.793 -2.444 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.788 -3.108 2.714 1.00 0.00 H new ATOM 0 HG LEU A 45 3.303 -0.935 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.838 -1.185 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.934 -2.575 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.224 -2.720 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.046 0.057 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.403 -1.431 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.566 -0.426 3.657 1.00 0.00 H new ATOM 220 N SER A 46 2.442 -6.249 2.223 1.00 0.00 N ATOM 221 CA SER A 46 3.129 -7.529 2.347 1.00 0.00 C ATOM 222 C SER A 46 4.588 -7.327 2.747 1.00 0.00 C ATOM 223 O SER A 46 5.352 -6.673 2.037 1.00 0.00 O ATOM 224 CB SER A 46 3.053 -8.304 1.030 1.00 0.00 C ATOM 225 OG SER A 46 3.181 -9.698 1.250 1.00 0.00 O ATOM 0 H SER A 46 1.825 -6.178 1.414 1.00 0.00 H new ATOM 0 HA SER A 46 2.632 -8.104 3.128 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.104 -8.096 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.842 -7.965 0.359 1.00 0.00 H new ATOM 0 HG SER A 46 3.128 -10.171 0.393 1.00 0.00 H new ATOM 231 N TYR A 47 4.966 -7.892 3.888 1.00 0.00 N ATOM 232 CA TYR A 47 6.331 -7.772 4.385 1.00 0.00 C ATOM 233 C TYR A 47 7.340 -8.116 3.293 1.00 0.00 C ATOM 234 O TYR A 47 8.465 -7.615 3.290 1.00 0.00 O ATOM 235 CB TYR A 47 6.539 -8.687 5.593 1.00 0.00 C ATOM 236 CG TYR A 47 5.296 -8.871 6.434 1.00 0.00 C ATOM 237 CD1 TYR A 47 4.679 -7.786 7.045 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.737 -10.130 6.617 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.544 -7.949 7.814 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.601 -10.303 7.384 1.00 0.00 C ATOM 241 CZ TYR A 47 3.009 -9.210 7.981 1.00 0.00 C ATOM 242 OH TYR A 47 1.877 -9.377 8.745 1.00 0.00 O ATOM 0 H TYR A 47 4.346 -8.438 4.486 1.00 0.00 H new ATOM 0 HA TYR A 47 6.490 -6.738 4.690 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.880 -9.662 5.245 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.332 -8.276 6.217 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.095 -6.798 6.916 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.199 -10.988 6.152 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.078 -7.095 8.282 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.179 -11.288 7.515 1.00 0.00 H new ATOM 0 HH TYR A 47 1.630 -10.325 8.761 1.00 0.00 H new ATOM 252 N THR A 48 6.929 -8.975 2.365 1.00 0.00 N ATOM 253 CA THR A 48 7.795 -9.387 1.268 1.00 0.00 C ATOM 254 C THR A 48 8.194 -8.196 0.405 1.00 0.00 C ATOM 255 O THR A 48 9.309 -8.139 -0.114 1.00 0.00 O ATOM 256 CB THR A 48 7.111 -10.443 0.380 1.00 0.00 C ATOM 257 OG1 THR A 48 6.043 -9.843 -0.362 1.00 0.00 O ATOM 258 CG2 THR A 48 6.569 -11.589 1.221 1.00 0.00 C ATOM 0 H THR A 48 6.001 -9.399 2.352 1.00 0.00 H new ATOM 0 HA THR A 48 8.688 -9.822 1.716 1.00 0.00 H new ATOM 0 HB THR A 48 7.855 -10.840 -0.311 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.224 -9.853 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.090 -12.322 0.572 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.388 -12.063 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.839 -11.204 1.933 1.00 0.00 H new ATOM 266 N SER A 49 7.278 -7.244 0.257 1.00 0.00 N ATOM 267 CA SER A 49 7.535 -6.054 -0.546 1.00 0.00 C ATOM 268 C SER A 49 8.622 -5.194 0.090 1.00 0.00 C ATOM 269 O SER A 49 8.839 -5.243 1.301 1.00 0.00 O ATOM 270 CB SER A 49 6.252 -5.237 -0.709 1.00 0.00 C ATOM 271 OG SER A 49 5.203 -6.033 -1.233 1.00 0.00 O ATOM 0 H SER A 49 6.351 -7.274 0.683 1.00 0.00 H new ATOM 0 HA SER A 49 7.880 -6.376 -1.529 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.954 -4.826 0.256 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.437 -4.392 -1.372 1.00 0.00 H new ATOM 0 HG SER A 49 4.758 -5.550 -1.961 1.00 0.00 H new ATOM 277 N SER A 50 9.303 -4.406 -0.736 1.00 0.00 N ATOM 278 CA SER A 50 10.371 -3.537 -0.256 1.00 0.00 C ATOM 279 C SER A 50 10.064 -2.075 -0.571 1.00 0.00 C ATOM 280 O SER A 50 9.258 -1.775 -1.450 1.00 0.00 O ATOM 281 CB SER A 50 11.705 -3.937 -0.888 1.00 0.00 C ATOM 282 OG SER A 50 12.793 -3.339 -0.204 1.00 0.00 O ATOM 0 H SER A 50 9.134 -4.352 -1.740 1.00 0.00 H new ATOM 0 HA SER A 50 10.441 -3.651 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.810 -5.022 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.720 -3.635 -1.935 1.00 0.00 H new ATOM 0 HG SER A 50 13.634 -3.612 -0.626 1.00 0.00 H new ATOM 288 N GLU A 51 10.715 -1.171 0.155 1.00 0.00 N ATOM 289 CA GLU A 51 10.511 0.258 -0.045 1.00 0.00 C ATOM 290 C GLU A 51 10.388 0.588 -1.530 1.00 0.00 C ATOM 291 O GLU A 51 9.503 1.338 -1.939 1.00 0.00 O ATOM 292 CB GLU A 51 11.666 1.052 0.570 1.00 0.00 C ATOM 293 CG GLU A 51 11.368 2.533 0.732 1.00 0.00 C ATOM 294 CD GLU A 51 12.400 3.246 1.585 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.609 3.066 1.326 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.000 3.982 2.510 1.00 0.00 O ATOM 0 H GLU A 51 11.387 -1.403 0.886 1.00 0.00 H new ATOM 0 HA GLU A 51 9.582 0.538 0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.907 0.630 1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.551 0.934 -0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.329 3.002 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.383 2.654 1.183 1.00 0.00 H new ATOM 303 N GLU A 52 11.284 0.020 -2.332 1.00 0.00 N ATOM 304 CA GLU A 52 11.277 0.254 -3.771 1.00 0.00 C ATOM 305 C GLU A 52 9.970 -0.229 -4.395 1.00 0.00 C ATOM 306 O GLU A 52 9.323 0.498 -5.148 1.00 0.00 O ATOM 307 CB GLU A 52 12.462 -0.453 -4.432 1.00 0.00 C ATOM 308 CG GLU A 52 12.745 0.025 -5.846 1.00 0.00 C ATOM 309 CD GLU A 52 13.680 -0.902 -6.599 1.00 0.00 C ATOM 310 OE1 GLU A 52 14.909 -0.691 -6.525 1.00 0.00 O ATOM 311 OE2 GLU A 52 13.184 -1.836 -7.262 1.00 0.00 O ATOM 0 H GLU A 52 12.023 -0.605 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 52 11.365 1.328 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.352 -0.301 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.269 -1.526 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.805 0.109 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.182 1.023 -5.808 1.00 0.00 H new ATOM 318 N ASP A 53 9.590 -1.461 -4.075 1.00 0.00 N ATOM 319 CA ASP A 53 8.361 -2.043 -4.603 1.00 0.00 C ATOM 320 C ASP A 53 7.193 -1.073 -4.454 1.00 0.00 C ATOM 321 O ASP A 53 6.274 -1.061 -5.274 1.00 0.00 O ATOM 322 CB ASP A 53 8.044 -3.356 -3.885 1.00 0.00 C ATOM 323 CG ASP A 53 8.996 -4.471 -4.271 1.00 0.00 C ATOM 324 OD1 ASP A 53 8.912 -4.950 -5.421 1.00 0.00 O ATOM 325 OD2 ASP A 53 9.824 -4.865 -3.423 1.00 0.00 O ATOM 0 H ASP A 53 10.115 -2.076 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 53 8.510 -2.245 -5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.092 -3.198 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.023 -3.657 -4.118 1.00 0.00 H new ATOM 330 N LEU A 54 7.235 -0.261 -3.403 1.00 0.00 N ATOM 331 CA LEU A 54 6.180 0.712 -3.146 1.00 0.00 C ATOM 332 C LEU A 54 6.325 1.927 -4.057 1.00 0.00 C ATOM 333 O LEU A 54 5.373 2.331 -4.724 1.00 0.00 O ATOM 334 CB LEU A 54 6.211 1.153 -1.681 1.00 0.00 C ATOM 335 CG LEU A 54 5.626 0.166 -0.670 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.850 0.661 0.750 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.143 -0.050 -0.934 1.00 0.00 C ATOM 0 H LEU A 54 7.988 -0.258 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 54 5.222 0.236 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.246 1.354 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.669 2.095 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 54 6.138 -0.789 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.427 -0.054 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.919 0.764 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.364 1.628 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.743 -0.755 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.616 0.900 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.007 -0.450 -1.939 1.00 0.00 H new ATOM 349 N GLU A 55 7.523 2.501 -4.083 1.00 0.00 N ATOM 350 CA GLU A 55 7.793 3.668 -4.914 1.00 0.00 C ATOM 351 C GLU A 55 7.367 3.418 -6.358 1.00 0.00 C ATOM 352 O GLU A 55 6.611 4.197 -6.939 1.00 0.00 O ATOM 353 CB GLU A 55 9.280 4.026 -4.864 1.00 0.00 C ATOM 354 CG GLU A 55 9.703 4.689 -3.565 1.00 0.00 C ATOM 355 CD GLU A 55 11.149 5.145 -3.586 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.045 4.286 -3.453 1.00 0.00 O ATOM 357 OE2 GLU A 55 11.384 6.363 -3.737 1.00 0.00 O ATOM 0 H GLU A 55 8.322 2.177 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 55 7.213 4.503 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.868 3.120 -5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.513 4.692 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.058 5.547 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.558 3.990 -2.741 1.00 0.00 H new ATOM 364 N LYS A 56 7.858 2.325 -6.932 1.00 0.00 N ATOM 365 CA LYS A 56 7.530 1.969 -8.307 1.00 0.00 C ATOM 366 C LYS A 56 6.024 1.794 -8.479 1.00 0.00 C ATOM 367 O LYS A 56 5.476 2.059 -9.550 1.00 0.00 O ATOM 368 CB LYS A 56 8.253 0.681 -8.710 1.00 0.00 C ATOM 369 CG LYS A 56 9.716 0.653 -8.302 1.00 0.00 C ATOM 370 CD LYS A 56 10.546 -0.180 -9.264 1.00 0.00 C ATOM 371 CE LYS A 56 11.026 0.647 -10.447 1.00 0.00 C ATOM 372 NZ LYS A 56 11.634 -0.203 -11.507 1.00 0.00 N ATOM 0 H LYS A 56 8.485 1.670 -6.465 1.00 0.00 H new ATOM 0 HA LYS A 56 7.861 2.781 -8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.742 -0.169 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.183 0.558 -9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.106 1.670 -8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.806 0.246 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.405 -0.597 -8.738 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.953 -1.021 -9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.187 1.204 -10.865 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.757 1.380 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.949 0.398 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.450 -0.716 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.929 -0.886 -11.851 1.00 0.00 H new ATOM 386 N LEU A 57 5.360 1.347 -7.419 1.00 0.00 N ATOM 387 CA LEU A 57 3.917 1.138 -7.452 1.00 0.00 C ATOM 388 C LEU A 57 3.175 2.470 -7.490 1.00 0.00 C ATOM 389 O LEU A 57 2.418 2.744 -8.421 1.00 0.00 O ATOM 390 CB LEU A 57 3.471 0.327 -6.234 1.00 0.00 C ATOM 391 CG LEU A 57 1.989 0.421 -5.871 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.137 -0.275 -6.921 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.738 -0.179 -4.495 1.00 0.00 C ATOM 0 H LEU A 57 5.798 1.122 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 57 3.676 0.583 -8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.715 -0.720 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.056 0.650 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 57 1.707 1.474 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.085 -0.198 -6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.294 0.199 -7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.420 -1.326 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.678 -0.103 -4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.036 -1.227 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.320 0.364 -3.750 1.00 0.00 H new ATOM 405 N PHE A 58 3.398 3.295 -6.472 1.00 0.00 N ATOM 406 CA PHE A 58 2.751 4.599 -6.389 1.00 0.00 C ATOM 407 C PHE A 58 3.317 5.554 -7.437 1.00 0.00 C ATOM 408 O PHE A 58 2.583 6.080 -8.273 1.00 0.00 O ATOM 409 CB PHE A 58 2.932 5.193 -4.991 1.00 0.00 C ATOM 410 CG PHE A 58 2.183 4.449 -3.922 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.799 4.487 -3.874 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.863 3.712 -2.967 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.107 3.804 -2.891 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.177 3.026 -1.982 1.00 0.00 C ATOM 415 CZ PHE A 58 0.797 3.072 -1.945 1.00 0.00 C ATOM 0 H PHE A 58 4.022 3.083 -5.693 1.00 0.00 H new ATOM 0 HA PHE A 58 1.687 4.463 -6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.993 5.200 -4.742 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.600 6.231 -5.000 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.255 5.056 -4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.942 3.673 -2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.972 3.843 -2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.719 2.455 -1.243 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.258 2.536 -1.177 1.00 0.00 H new ATOM 425 N SER A 59 4.626 5.773 -7.383 1.00 0.00 N ATOM 426 CA SER A 59 5.291 6.668 -8.324 1.00 0.00 C ATOM 427 C SER A 59 4.677 6.547 -9.715 1.00 0.00 C ATOM 428 O SER A 59 4.315 7.546 -10.335 1.00 0.00 O ATOM 429 CB SER A 59 6.787 6.357 -8.386 1.00 0.00 C ATOM 430 OG SER A 59 7.488 7.363 -9.096 1.00 0.00 O ATOM 0 H SER A 59 5.248 5.343 -6.698 1.00 0.00 H new ATOM 0 HA SER A 59 5.154 7.691 -7.973 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.187 6.275 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.941 5.392 -8.869 1.00 0.00 H new ATOM 0 HG SER A 59 8.442 7.142 -9.120 1.00 0.00 H new ATOM 436 N ALA A 60 4.562 5.314 -10.199 1.00 0.00 N ATOM 437 CA ALA A 60 3.990 5.061 -11.516 1.00 0.00 C ATOM 438 C ALA A 60 2.825 6.003 -11.799 1.00 0.00 C ATOM 439 O ALA A 60 2.720 6.565 -12.890 1.00 0.00 O ATOM 440 CB ALA A 60 3.538 3.612 -11.624 1.00 0.00 C ATOM 0 H ALA A 60 4.857 4.475 -9.699 1.00 0.00 H new ATOM 0 HA ALA A 60 4.762 5.247 -12.263 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.113 3.436 -12.612 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.393 2.952 -11.474 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.784 3.408 -10.863 1.00 0.00 H new ATOM 446 N TYR A 61 1.954 6.173 -10.811 1.00 0.00 N ATOM 447 CA TYR A 61 0.795 7.045 -10.956 1.00 0.00 C ATOM 448 C TYR A 61 1.225 8.499 -11.128 1.00 0.00 C ATOM 449 O TYR A 61 0.665 9.232 -11.942 1.00 0.00 O ATOM 450 CB TYR A 61 -0.124 6.914 -9.740 1.00 0.00 C ATOM 451 CG TYR A 61 -0.895 5.614 -9.701 1.00 0.00 C ATOM 452 CD1 TYR A 61 -0.339 4.470 -9.144 1.00 0.00 C ATOM 453 CD2 TYR A 61 -2.181 5.531 -10.221 1.00 0.00 C ATOM 454 CE1 TYR A 61 -1.040 3.280 -9.107 1.00 0.00 C ATOM 455 CE2 TYR A 61 -2.890 4.346 -10.187 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.315 3.223 -9.629 1.00 0.00 C ATOM 457 OH TYR A 61 -3.017 2.040 -9.593 1.00 0.00 O ATOM 0 H TYR A 61 2.029 5.718 -9.901 1.00 0.00 H new ATOM 0 HA TYR A 61 0.251 6.738 -11.849 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.474 7.000 -8.833 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.829 7.745 -9.737 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.659 4.511 -8.733 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.634 6.408 -10.659 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.592 2.399 -8.672 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.889 4.299 -10.595 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.738 1.518 -8.812 1.00 0.00 H new ATOM 467 N GLY A 62 2.226 8.908 -10.355 1.00 0.00 N ATOM 468 CA GLY A 62 2.717 10.272 -10.436 1.00 0.00 C ATOM 469 C GLY A 62 3.997 10.475 -9.650 1.00 0.00 C ATOM 470 O GLY A 62 4.491 9.567 -8.981 1.00 0.00 O ATOM 0 H GLY A 62 2.706 8.320 -9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.891 10.531 -11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.953 10.953 -10.062 1.00 0.00 H new ATOM 474 N PRO A 63 4.556 11.692 -9.728 1.00 0.00 N ATOM 475 CA PRO A 63 5.795 12.040 -9.026 1.00 0.00 C ATOM 476 C PRO A 63 5.603 12.117 -7.515 1.00 0.00 C ATOM 477 O PRO A 63 4.750 12.858 -7.024 1.00 0.00 O ATOM 478 CB PRO A 63 6.148 13.418 -9.591 1.00 0.00 C ATOM 479 CG PRO A 63 4.847 13.988 -10.038 1.00 0.00 C ATOM 480 CD PRO A 63 4.022 12.822 -10.507 1.00 0.00 C ATOM 0 HA PRO A 63 6.572 11.291 -9.176 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.617 14.048 -8.835 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.851 13.338 -10.420 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.351 14.514 -9.222 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.993 14.711 -10.841 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.960 12.977 -10.314 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.131 12.658 -11.579 1.00 0.00 H new ATOM 488 N LEU A 64 6.401 11.348 -6.782 1.00 0.00 N ATOM 489 CA LEU A 64 6.319 11.330 -5.325 1.00 0.00 C ATOM 490 C LEU A 64 7.122 12.476 -4.720 1.00 0.00 C ATOM 491 O LEU A 64 7.983 13.059 -5.379 1.00 0.00 O ATOM 492 CB LEU A 64 6.828 9.993 -4.783 1.00 0.00 C ATOM 493 CG LEU A 64 6.068 8.749 -5.243 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.648 7.500 -4.598 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.586 8.879 -4.919 1.00 0.00 C ATOM 0 H LEU A 64 7.112 10.729 -7.172 1.00 0.00 H new ATOM 0 HA LEU A 64 5.274 11.455 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.874 9.882 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.798 10.030 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 64 6.177 8.659 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.094 6.625 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.696 7.398 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.570 7.581 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.061 7.984 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.458 8.994 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.177 9.752 -5.429 1.00 0.00 H new ATOM 507 N SER A 65 6.836 12.793 -3.462 1.00 0.00 N ATOM 508 CA SER A 65 7.531 13.871 -2.768 1.00 0.00 C ATOM 509 C SER A 65 8.261 13.343 -1.537 1.00 0.00 C ATOM 510 O SER A 65 9.358 13.795 -1.212 1.00 0.00 O ATOM 511 CB SER A 65 6.541 14.964 -2.358 1.00 0.00 C ATOM 512 OG SER A 65 5.879 14.625 -1.152 1.00 0.00 O ATOM 0 H SER A 65 6.128 12.319 -2.902 1.00 0.00 H new ATOM 0 HA SER A 65 8.267 14.295 -3.451 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.069 15.909 -2.233 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.807 15.111 -3.151 1.00 0.00 H new ATOM 0 HG SER A 65 5.376 13.794 -1.278 1.00 0.00 H new ATOM 518 N GLU A 66 7.642 12.383 -0.856 1.00 0.00 N ATOM 519 CA GLU A 66 8.233 11.794 0.340 1.00 0.00 C ATOM 520 C GLU A 66 7.625 10.424 0.628 1.00 0.00 C ATOM 521 O GLU A 66 6.448 10.185 0.357 1.00 0.00 O ATOM 522 CB GLU A 66 8.031 12.717 1.544 1.00 0.00 C ATOM 523 CG GLU A 66 8.175 12.012 2.882 1.00 0.00 C ATOM 524 CD GLU A 66 8.581 12.956 3.997 1.00 0.00 C ATOM 525 OE1 GLU A 66 7.741 13.783 4.409 1.00 0.00 O ATOM 526 OE2 GLU A 66 9.738 12.867 4.459 1.00 0.00 O ATOM 0 H GLU A 66 6.733 11.997 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 66 9.301 11.669 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.754 13.531 1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.040 13.166 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.230 11.535 3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.918 11.220 2.793 1.00 0.00 H new ATOM 533 N LEU A 67 8.437 9.527 1.179 1.00 0.00 N ATOM 534 CA LEU A 67 7.981 8.180 1.504 1.00 0.00 C ATOM 535 C LEU A 67 8.406 7.787 2.915 1.00 0.00 C ATOM 536 O LEU A 67 9.483 8.165 3.378 1.00 0.00 O ATOM 537 CB LEU A 67 8.535 7.175 0.493 1.00 0.00 C ATOM 538 CG LEU A 67 7.959 5.760 0.568 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.589 5.706 -0.089 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.906 4.764 -0.085 1.00 0.00 C ATOM 0 H LEU A 67 9.414 9.709 1.410 1.00 0.00 H new ATOM 0 HA LEU A 67 6.892 8.170 1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.359 7.564 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.615 7.114 0.626 1.00 0.00 H new ATOM 0 HG LEU A 67 7.846 5.489 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.195 4.692 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.913 6.390 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.676 5.997 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.480 3.762 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.051 5.032 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.866 4.783 0.431 1.00 0.00 H new ATOM 552 N HIS A 68 7.555 7.024 3.593 1.00 0.00 N ATOM 553 CA HIS A 68 7.845 6.576 4.951 1.00 0.00 C ATOM 554 C HIS A 68 7.560 5.085 5.104 1.00 0.00 C ATOM 555 O HIS A 68 6.406 4.673 5.225 1.00 0.00 O ATOM 556 CB HIS A 68 7.016 7.372 5.960 1.00 0.00 C ATOM 557 CG HIS A 68 7.048 6.800 7.344 1.00 0.00 C ATOM 558 ND1 HIS A 68 8.167 6.202 7.886 1.00 0.00 N ATOM 559 CD2 HIS A 68 6.091 6.740 8.299 1.00 0.00 C ATOM 560 CE1 HIS A 68 7.896 5.797 9.114 1.00 0.00 C ATOM 561 NE2 HIS A 68 6.643 6.111 9.389 1.00 0.00 N ATOM 0 H HIS A 68 6.660 6.703 3.225 1.00 0.00 H new ATOM 0 HA HIS A 68 8.904 6.747 5.146 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.383 8.398 5.991 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.982 7.414 5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.082 7.116 8.219 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.582 5.295 9.780 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.163 5.918 10.268 1.00 0.00 H new ATOM 570 N TYR A 69 8.618 4.282 5.096 1.00 0.00 N ATOM 571 CA TYR A 69 8.481 2.837 5.231 1.00 0.00 C ATOM 572 C TYR A 69 9.165 2.341 6.502 1.00 0.00 C ATOM 573 O TYR A 69 10.363 2.058 6.523 1.00 0.00 O ATOM 574 CB TYR A 69 9.076 2.131 4.011 1.00 0.00 C ATOM 575 CG TYR A 69 8.451 0.784 3.727 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.071 0.622 3.725 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.241 -0.328 3.461 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.497 -0.607 3.467 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.675 -1.561 3.201 1.00 0.00 C ATOM 580 CZ TYR A 69 7.303 -1.695 3.205 1.00 0.00 C ATOM 581 OH TYR A 69 6.735 -2.922 2.947 1.00 0.00 O ATOM 0 H TYR A 69 9.580 4.607 4.997 1.00 0.00 H new ATOM 0 HA TYR A 69 7.418 2.603 5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.954 2.770 3.137 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.147 2.000 4.164 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.437 1.472 3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.316 -0.226 3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.422 -0.716 3.470 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.304 -2.415 2.996 1.00 0.00 H new ATOM 0 HH TYR A 69 7.441 -3.581 2.782 1.00 0.00 H new ATOM 591 N PRO A 70 8.385 2.232 7.588 1.00 0.00 N ATOM 592 CA PRO A 70 8.892 1.769 8.883 1.00 0.00 C ATOM 593 C PRO A 70 9.249 0.286 8.869 1.00 0.00 C ATOM 594 O PRO A 70 8.628 -0.505 8.159 1.00 0.00 O ATOM 595 CB PRO A 70 7.722 2.028 9.835 1.00 0.00 C ATOM 596 CG PRO A 70 6.513 2.003 8.965 1.00 0.00 C ATOM 597 CD PRO A 70 6.948 2.551 7.634 1.00 0.00 C ATOM 0 HA PRO A 70 9.812 2.280 9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.667 1.265 10.611 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.827 2.989 10.339 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.127 0.989 8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.712 2.607 9.392 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.406 2.085 6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.772 3.624 7.564 1.00 0.00 H new ATOM 605 N ILE A 71 10.251 -0.083 9.659 1.00 0.00 N ATOM 606 CA ILE A 71 10.689 -1.471 9.738 1.00 0.00 C ATOM 607 C ILE A 71 11.025 -1.861 11.174 1.00 0.00 C ATOM 608 O ILE A 71 11.562 -1.058 11.936 1.00 0.00 O ATOM 609 CB ILE A 71 11.920 -1.725 8.848 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.634 -1.291 7.409 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.314 -3.194 8.896 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.646 -2.186 6.693 1.00 0.00 C ATOM 0 H ILE A 71 10.775 0.559 10.253 1.00 0.00 H new ATOM 0 HA ILE A 71 9.861 -2.083 9.382 1.00 0.00 H new ATOM 0 HB ILE A 71 12.753 -1.133 9.227 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.250 -0.271 7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.570 -1.276 6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.185 -3.358 8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.554 -3.473 9.922 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.485 -3.805 8.538 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.491 -1.819 5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.037 -3.203 6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.697 -2.182 7.229 1.00 0.00 H new ATOM 624 N ASP A 72 10.706 -3.099 11.535 1.00 0.00 N ATOM 625 CA ASP A 72 10.976 -3.597 12.879 1.00 0.00 C ATOM 626 C ASP A 72 12.476 -3.752 13.109 1.00 0.00 C ATOM 627 O ASP A 72 13.187 -4.315 12.278 1.00 0.00 O ATOM 628 CB ASP A 72 10.272 -4.937 13.100 1.00 0.00 C ATOM 629 CG ASP A 72 9.886 -5.155 14.550 1.00 0.00 C ATOM 630 OD1 ASP A 72 9.697 -4.153 15.271 1.00 0.00 O ATOM 631 OD2 ASP A 72 9.771 -6.328 14.963 1.00 0.00 O ATOM 0 H ASP A 72 10.260 -3.776 10.916 1.00 0.00 H new ATOM 0 HA ASP A 72 10.590 -2.871 13.594 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.378 -4.981 12.478 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.926 -5.746 12.775 1.00 0.00 H new ATOM 636 N SER A 73 12.950 -3.246 14.244 1.00 0.00 N ATOM 637 CA SER A 73 14.367 -3.324 14.582 1.00 0.00 C ATOM 638 C SER A 73 14.738 -4.729 15.044 1.00 0.00 C ATOM 639 O SER A 73 15.912 -5.034 15.264 1.00 0.00 O ATOM 640 CB SER A 73 14.708 -2.308 15.673 1.00 0.00 C ATOM 641 OG SER A 73 14.952 -1.027 15.119 1.00 0.00 O ATOM 0 H SER A 73 12.374 -2.778 14.944 1.00 0.00 H new ATOM 0 HA SER A 73 14.943 -3.092 13.687 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.887 -2.248 16.388 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.587 -2.643 16.224 1.00 0.00 H new ATOM 0 HG SER A 73 15.166 -0.395 15.837 1.00 0.00 H new ATOM 647 N LEU A 74 13.731 -5.583 15.191 1.00 0.00 N ATOM 648 CA LEU A 74 13.950 -6.957 15.628 1.00 0.00 C ATOM 649 C LEU A 74 13.756 -7.933 14.473 1.00 0.00 C ATOM 650 O LEU A 74 14.643 -8.728 14.160 1.00 0.00 O ATOM 651 CB LEU A 74 12.997 -7.308 16.772 1.00 0.00 C ATOM 652 CG LEU A 74 12.844 -6.250 17.866 1.00 0.00 C ATOM 653 CD1 LEU A 74 11.795 -6.680 18.881 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.178 -5.994 18.551 1.00 0.00 C ATOM 0 H LEU A 74 12.754 -5.348 15.014 1.00 0.00 H new ATOM 0 HA LEU A 74 14.978 -7.040 15.981 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.013 -7.510 16.349 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.341 -8.233 17.234 1.00 0.00 H new ATOM 0 HG LEU A 74 12.513 -5.321 17.402 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.700 -5.915 19.652 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.836 -6.812 18.380 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.097 -7.622 19.340 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.050 -5.239 19.326 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.539 -6.919 19.001 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.902 -5.641 17.817 1.00 0.00 H new ATOM 666 N THR A 75 12.589 -7.868 13.838 1.00 0.00 N ATOM 667 CA THR A 75 12.279 -8.744 12.716 1.00 0.00 C ATOM 668 C THR A 75 12.821 -8.178 11.409 1.00 0.00 C ATOM 669 O THR A 75 12.755 -8.826 10.365 1.00 0.00 O ATOM 670 CB THR A 75 10.760 -8.962 12.577 1.00 0.00 C ATOM 671 OG1 THR A 75 10.161 -7.835 11.928 1.00 0.00 O ATOM 672 CG2 THR A 75 10.117 -9.171 13.940 1.00 0.00 C ATOM 0 H THR A 75 11.843 -7.217 14.083 1.00 0.00 H new ATOM 0 HA THR A 75 12.759 -9.701 12.921 1.00 0.00 H new ATOM 0 HB THR A 75 10.596 -9.856 11.975 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.196 -7.982 11.842 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.045 -9.323 13.817 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.555 -10.047 14.418 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.290 -8.293 14.562 1.00 0.00 H new ATOM 680 N LYS A 76 13.358 -6.964 11.474 1.00 0.00 N ATOM 681 CA LYS A 76 13.914 -6.309 10.295 1.00 0.00 C ATOM 682 C LYS A 76 12.896 -6.275 9.160 1.00 0.00 C ATOM 683 O LYS A 76 13.262 -6.243 7.985 1.00 0.00 O ATOM 684 CB LYS A 76 15.182 -7.032 9.836 1.00 0.00 C ATOM 685 CG LYS A 76 16.450 -6.513 10.491 1.00 0.00 C ATOM 686 CD LYS A 76 16.698 -7.180 11.834 1.00 0.00 C ATOM 687 CE LYS A 76 17.536 -8.439 11.684 1.00 0.00 C ATOM 688 NZ LYS A 76 16.699 -9.629 11.365 1.00 0.00 N ATOM 0 H LYS A 76 13.420 -6.414 12.331 1.00 0.00 H new ATOM 0 HA LYS A 76 14.165 -5.283 10.564 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.081 -8.096 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.275 -6.933 8.755 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.300 -6.692 9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.374 -5.434 10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.205 -6.482 12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.744 -7.430 12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.274 -8.292 10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.088 -8.620 12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.189 -10.492 11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.785 -9.552 11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.538 -9.675 10.339 1.00 0.00 H new ATOM 702 N LYS A 77 11.616 -6.282 9.519 1.00 0.00 N ATOM 703 CA LYS A 77 10.544 -6.249 8.531 1.00 0.00 C ATOM 704 C LYS A 77 9.463 -5.251 8.934 1.00 0.00 C ATOM 705 O LYS A 77 9.238 -4.987 10.116 1.00 0.00 O ATOM 706 CB LYS A 77 9.932 -7.642 8.365 1.00 0.00 C ATOM 707 CG LYS A 77 10.830 -8.616 7.623 1.00 0.00 C ATOM 708 CD LYS A 77 10.044 -9.801 7.087 1.00 0.00 C ATOM 709 CE LYS A 77 9.418 -10.610 8.213 1.00 0.00 C ATOM 710 NZ LYS A 77 8.271 -11.430 7.735 1.00 0.00 N ATOM 0 H LYS A 77 11.296 -6.310 10.487 1.00 0.00 H new ATOM 0 HA LYS A 77 10.970 -5.931 7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.704 -8.049 9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.986 -7.553 7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.323 -8.102 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.614 -8.971 8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.263 -9.447 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.703 -10.441 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.172 -11.262 8.654 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.080 -9.936 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.872 -11.966 8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.540 -10.806 7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.599 -12.091 7.002 1.00 0.00 H new ATOM 724 N PRO A 78 8.776 -4.684 7.932 1.00 0.00 N ATOM 725 CA PRO A 78 7.705 -3.709 8.158 1.00 0.00 C ATOM 726 C PRO A 78 6.466 -4.343 8.780 1.00 0.00 C ATOM 727 O PRO A 78 6.132 -5.492 8.491 1.00 0.00 O ATOM 728 CB PRO A 78 7.393 -3.192 6.752 1.00 0.00 C ATOM 729 CG PRO A 78 7.809 -4.296 5.841 1.00 0.00 C ATOM 730 CD PRO A 78 8.990 -4.952 6.500 1.00 0.00 C ATOM 0 HA PRO A 78 8.006 -2.928 8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.333 -2.965 6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.940 -2.274 6.537 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.997 -5.009 5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 78 8.075 -3.911 4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.023 -6.021 6.292 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.932 -4.530 6.149 1.00 0.00 H new ATOM 738 N LYS A 79 5.786 -3.586 9.635 1.00 0.00 N ATOM 739 CA LYS A 79 4.581 -4.073 10.298 1.00 0.00 C ATOM 740 C LYS A 79 3.444 -4.249 9.297 1.00 0.00 C ATOM 741 O LYS A 79 2.485 -4.976 9.554 1.00 0.00 O ATOM 742 CB LYS A 79 4.156 -3.104 11.403 1.00 0.00 C ATOM 743 CG LYS A 79 4.978 -3.234 12.674 1.00 0.00 C ATOM 744 CD LYS A 79 5.054 -1.915 13.426 1.00 0.00 C ATOM 745 CE LYS A 79 6.008 -2.001 14.607 1.00 0.00 C ATOM 746 NZ LYS A 79 5.654 -1.029 15.678 1.00 0.00 N ATOM 0 H LYS A 79 6.049 -2.633 9.885 1.00 0.00 H new ATOM 0 HA LYS A 79 4.806 -5.043 10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.237 -2.083 11.030 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.106 -3.274 11.640 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.537 -3.996 13.317 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.984 -3.570 12.425 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.382 -1.127 12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.060 -1.638 13.779 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.992 -3.012 15.014 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.026 -1.811 14.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.328 -1.119 16.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.694 -0.062 15.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.692 -1.226 16.021 1.00 0.00 H new ATOM 760 N GLY A 80 3.558 -3.580 8.154 1.00 0.00 N ATOM 761 CA GLY A 80 2.533 -3.678 7.131 1.00 0.00 C ATOM 762 C GLY A 80 1.774 -2.379 6.944 1.00 0.00 C ATOM 763 O GLY A 80 0.550 -2.379 6.815 1.00 0.00 O ATOM 0 H GLY A 80 4.342 -2.972 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.994 -3.965 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.832 -4.469 7.398 1.00 0.00 H new ATOM 767 N PHE A 81 2.502 -1.267 6.932 1.00 0.00 N ATOM 768 CA PHE A 81 1.890 0.046 6.762 1.00 0.00 C ATOM 769 C PHE A 81 2.933 1.083 6.355 1.00 0.00 C ATOM 770 O PHE A 81 4.108 0.967 6.701 1.00 0.00 O ATOM 771 CB PHE A 81 1.200 0.481 8.056 1.00 0.00 C ATOM 772 CG PHE A 81 2.149 1.005 9.096 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.726 0.149 10.020 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.465 2.353 9.148 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.600 0.628 10.978 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.338 2.838 10.104 1.00 0.00 C ATOM 777 CZ PHE A 81 3.907 1.974 11.019 1.00 0.00 C ATOM 0 H PHE A 81 3.516 -1.249 7.038 1.00 0.00 H new ATOM 0 HA PHE A 81 1.146 -0.027 5.968 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.465 1.252 7.825 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.653 -0.367 8.469 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.490 -0.905 9.992 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.024 3.033 8.434 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.042 -0.049 11.693 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.575 3.891 10.135 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.591 2.350 11.765 1.00 0.00 H new ATOM 787 N ALA A 82 2.493 2.097 5.617 1.00 0.00 N ATOM 788 CA ALA A 82 3.386 3.156 5.163 1.00 0.00 C ATOM 789 C ALA A 82 2.602 4.398 4.754 1.00 0.00 C ATOM 790 O ALA A 82 1.398 4.330 4.504 1.00 0.00 O ATOM 791 CB ALA A 82 4.241 2.664 4.005 1.00 0.00 C ATOM 0 H ALA A 82 1.523 2.207 5.321 1.00 0.00 H new ATOM 0 HA ALA A 82 4.039 3.428 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.903 3.465 3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.837 1.811 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.597 2.363 3.179 1.00 0.00 H new ATOM 797 N PHE A 83 3.291 5.532 4.689 1.00 0.00 N ATOM 798 CA PHE A 83 2.658 6.791 4.312 1.00 0.00 C ATOM 799 C PHE A 83 3.271 7.345 3.030 1.00 0.00 C ATOM 800 O PHE A 83 4.467 7.631 2.973 1.00 0.00 O ATOM 801 CB PHE A 83 2.797 7.814 5.441 1.00 0.00 C ATOM 802 CG PHE A 83 1.668 7.771 6.431 1.00 0.00 C ATOM 803 CD1 PHE A 83 0.521 8.522 6.227 1.00 0.00 C ATOM 804 CD2 PHE A 83 1.754 6.981 7.566 1.00 0.00 C ATOM 805 CE1 PHE A 83 -0.519 8.485 7.136 1.00 0.00 C ATOM 806 CE2 PHE A 83 0.716 6.940 8.478 1.00 0.00 C ATOM 807 CZ PHE A 83 -0.421 7.693 8.263 1.00 0.00 C ATOM 0 H PHE A 83 4.288 5.606 4.892 1.00 0.00 H new ATOM 0 HA PHE A 83 1.600 6.598 4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.736 7.639 5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.854 8.814 5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.439 9.143 5.347 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.642 6.391 7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.407 9.075 6.965 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.794 6.319 9.358 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.232 7.663 8.975 1.00 0.00 H new ATOM 817 N VAL A 84 2.443 7.494 2.001 1.00 0.00 N ATOM 818 CA VAL A 84 2.902 8.014 0.719 1.00 0.00 C ATOM 819 C VAL A 84 2.490 9.471 0.537 1.00 0.00 C ATOM 820 O VAL A 84 1.345 9.842 0.796 1.00 0.00 O ATOM 821 CB VAL A 84 2.346 7.186 -0.455 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.867 7.721 -1.780 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.705 5.717 -0.286 1.00 0.00 C ATOM 0 H VAL A 84 1.450 7.262 2.031 1.00 0.00 H new ATOM 0 HA VAL A 84 3.990 7.944 0.721 1.00 0.00 H new ATOM 0 HB VAL A 84 1.260 7.274 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.464 7.124 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.556 8.759 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.955 7.665 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.305 5.146 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.789 5.608 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.279 5.343 0.645 1.00 0.00 H new ATOM 833 N THR A 85 3.432 10.296 0.090 1.00 0.00 N ATOM 834 CA THR A 85 3.169 11.713 -0.126 1.00 0.00 C ATOM 835 C THR A 85 3.440 12.108 -1.572 1.00 0.00 C ATOM 836 O THR A 85 4.589 12.306 -1.967 1.00 0.00 O ATOM 837 CB THR A 85 4.026 12.591 0.805 1.00 0.00 C ATOM 838 OG1 THR A 85 3.973 12.085 2.143 1.00 0.00 O ATOM 839 CG2 THR A 85 3.542 14.034 0.784 1.00 0.00 C ATOM 0 H THR A 85 4.385 10.006 -0.130 1.00 0.00 H new ATOM 0 HA THR A 85 2.116 11.878 0.100 1.00 0.00 H new ATOM 0 HB THR A 85 5.055 12.563 0.448 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.522 12.648 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.162 14.635 1.449 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.611 14.426 -0.231 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.505 14.075 1.119 1.00 0.00 H new ATOM 847 N PHE A 86 2.375 12.224 -2.359 1.00 0.00 N ATOM 848 CA PHE A 86 2.499 12.596 -3.764 1.00 0.00 C ATOM 849 C PHE A 86 2.836 14.078 -3.906 1.00 0.00 C ATOM 850 O PHE A 86 2.506 14.886 -3.039 1.00 0.00 O ATOM 851 CB PHE A 86 1.203 12.283 -4.513 1.00 0.00 C ATOM 852 CG PHE A 86 1.088 10.847 -4.938 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.666 9.877 -4.043 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.404 10.467 -6.233 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.560 8.554 -4.431 1.00 0.00 C ATOM 856 CE2 PHE A 86 1.299 9.146 -6.626 1.00 0.00 C ATOM 857 CZ PHE A 86 0.877 8.189 -5.724 1.00 0.00 C ATOM 0 H PHE A 86 1.417 12.066 -2.048 1.00 0.00 H new ATOM 0 HA PHE A 86 3.311 12.013 -4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.355 12.534 -3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.139 12.921 -5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.417 10.158 -3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.736 11.211 -6.942 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.230 7.808 -3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.547 8.862 -7.638 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.795 7.156 -6.030 1.00 0.00 H new ATOM 867 N MET A 87 3.497 14.425 -5.005 1.00 0.00 N ATOM 868 CA MET A 87 3.879 15.809 -5.261 1.00 0.00 C ATOM 869 C MET A 87 2.652 16.666 -5.554 1.00 0.00 C ATOM 870 O MET A 87 2.561 17.811 -5.109 1.00 0.00 O ATOM 871 CB MET A 87 4.858 15.882 -6.435 1.00 0.00 C ATOM 872 CG MET A 87 6.291 15.548 -6.053 1.00 0.00 C ATOM 873 SD MET A 87 7.247 17.008 -5.601 1.00 0.00 S ATOM 874 CE MET A 87 6.136 17.793 -4.436 1.00 0.00 C ATOM 0 H MET A 87 3.779 13.768 -5.732 1.00 0.00 H new ATOM 0 HA MET A 87 4.366 16.196 -4.366 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.529 15.195 -7.215 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.828 16.885 -6.860 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.287 14.848 -5.217 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.778 15.044 -6.888 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.659 18.599 -3.921 1.00 0.00 H new ATOM 0 HE2 MET A 87 5.277 18.200 -4.970 1.00 0.00 H new ATOM 0 HE3 MET A 87 5.795 17.058 -3.707 1.00 0.00 H new ATOM 884 N PHE A 88 1.710 16.106 -6.306 1.00 0.00 N ATOM 885 CA PHE A 88 0.488 16.820 -6.659 1.00 0.00 C ATOM 886 C PHE A 88 -0.743 16.082 -6.140 1.00 0.00 C ATOM 887 O PHE A 88 -0.745 14.860 -5.985 1.00 0.00 O ATOM 888 CB PHE A 88 0.393 16.991 -8.176 1.00 0.00 C ATOM 889 CG PHE A 88 1.573 17.702 -8.775 1.00 0.00 C ATOM 890 CD1 PHE A 88 2.771 17.036 -8.975 1.00 0.00 C ATOM 891 CD2 PHE A 88 1.484 19.036 -9.137 1.00 0.00 C ATOM 892 CE1 PHE A 88 3.859 17.687 -9.526 1.00 0.00 C ATOM 893 CE2 PHE A 88 2.568 19.692 -9.689 1.00 0.00 C ATOM 894 CZ PHE A 88 3.757 19.017 -9.882 1.00 0.00 C ATOM 0 H PHE A 88 1.769 15.160 -6.683 1.00 0.00 H new ATOM 0 HA PHE A 88 0.523 17.804 -6.191 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.298 16.009 -8.639 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.515 17.545 -8.415 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.856 15.996 -8.697 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.557 19.569 -8.986 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.787 17.156 -9.678 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.485 20.732 -9.969 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.606 19.529 -10.311 1.00 0.00 H new ATOM 904 N PRO A 89 -1.814 16.840 -5.865 1.00 0.00 N ATOM 905 CA PRO A 89 -3.071 16.280 -5.360 1.00 0.00 C ATOM 906 C PRO A 89 -3.803 15.454 -6.413 1.00 0.00 C ATOM 907 O PRO A 89 -4.264 14.347 -6.137 1.00 0.00 O ATOM 908 CB PRO A 89 -3.889 17.520 -4.990 1.00 0.00 C ATOM 909 CG PRO A 89 -3.345 18.604 -5.855 1.00 0.00 C ATOM 910 CD PRO A 89 -1.882 18.302 -6.027 1.00 0.00 C ATOM 0 HA PRO A 89 -2.906 15.597 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.952 17.363 -5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.781 17.765 -3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.854 18.627 -6.818 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.490 19.581 -5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.520 18.615 -7.006 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.275 18.817 -5.283 1.00 0.00 H new ATOM 918 N GLU A 90 -3.905 16.001 -7.621 1.00 0.00 N ATOM 919 CA GLU A 90 -4.581 15.313 -8.715 1.00 0.00 C ATOM 920 C GLU A 90 -3.997 13.919 -8.925 1.00 0.00 C ATOM 921 O GLU A 90 -4.704 12.991 -9.319 1.00 0.00 O ATOM 922 CB GLU A 90 -4.466 16.126 -10.006 1.00 0.00 C ATOM 923 CG GLU A 90 -3.033 16.415 -10.418 1.00 0.00 C ATOM 924 CD GLU A 90 -2.507 17.711 -9.832 1.00 0.00 C ATOM 925 OE1 GLU A 90 -3.150 18.246 -8.905 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.454 18.190 -10.301 1.00 0.00 O ATOM 0 H GLU A 90 -3.529 16.917 -7.866 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.634 15.211 -8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.965 15.586 -10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.996 17.070 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.394 15.591 -10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.974 16.462 -11.505 1.00 0.00 H new ATOM 933 N HIS A 91 -2.702 13.780 -8.660 1.00 0.00 N ATOM 934 CA HIS A 91 -2.022 12.500 -8.820 1.00 0.00 C ATOM 935 C HIS A 91 -2.274 11.597 -7.616 1.00 0.00 C ATOM 936 O HIS A 91 -2.234 10.372 -7.728 1.00 0.00 O ATOM 937 CB HIS A 91 -0.520 12.716 -9.005 1.00 0.00 C ATOM 938 CG HIS A 91 -0.163 13.354 -10.312 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.971 14.117 -10.493 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.798 13.338 -11.508 1.00 0.00 C ATOM 941 CE1 HIS A 91 1.018 14.544 -11.742 1.00 0.00 C ATOM 942 NE2 HIS A 91 -0.044 14.085 -12.379 1.00 0.00 N ATOM 0 H HIS A 91 -2.103 14.538 -8.334 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.423 12.012 -9.708 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.148 13.340 -8.192 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.011 11.755 -8.928 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.725 12.832 -11.735 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.793 15.163 -12.170 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.268 14.257 -13.359 1.00 0.00 H new ATOM 951 N ALA A 92 -2.531 12.211 -6.466 1.00 0.00 N ATOM 952 CA ALA A 92 -2.790 11.463 -5.242 1.00 0.00 C ATOM 953 C ALA A 92 -4.217 10.925 -5.219 1.00 0.00 C ATOM 954 O ALA A 92 -4.557 10.073 -4.397 1.00 0.00 O ATOM 955 CB ALA A 92 -2.534 12.338 -4.024 1.00 0.00 C ATOM 0 H ALA A 92 -2.565 13.224 -6.356 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.108 10.613 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.731 11.766 -3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.495 12.669 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.191 13.207 -4.055 1.00 0.00 H new ATOM 961 N VAL A 93 -5.049 11.428 -6.125 1.00 0.00 N ATOM 962 CA VAL A 93 -6.440 10.997 -6.209 1.00 0.00 C ATOM 963 C VAL A 93 -6.572 9.728 -7.042 1.00 0.00 C ATOM 964 O VAL A 93 -7.236 8.772 -6.638 1.00 0.00 O ATOM 965 CB VAL A 93 -7.331 12.095 -6.820 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.765 11.605 -6.954 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.269 13.361 -5.978 1.00 0.00 C ATOM 0 H VAL A 93 -4.784 12.134 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.772 10.795 -5.191 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.957 12.330 -7.817 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.380 12.394 -7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.791 10.728 -7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.153 11.342 -5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.904 14.126 -6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.617 13.144 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.241 13.721 -5.938 1.00 0.00 H new ATOM 977 N LYS A 94 -5.937 9.723 -8.209 1.00 0.00 N ATOM 978 CA LYS A 94 -5.981 8.570 -9.101 1.00 0.00 C ATOM 979 C LYS A 94 -5.554 7.301 -8.371 1.00 0.00 C ATOM 980 O LYS A 94 -6.212 6.266 -8.471 1.00 0.00 O ATOM 981 CB LYS A 94 -5.077 8.803 -10.314 1.00 0.00 C ATOM 982 CG LYS A 94 -5.229 7.748 -11.396 1.00 0.00 C ATOM 983 CD LYS A 94 -4.503 8.148 -12.670 1.00 0.00 C ATOM 984 CE LYS A 94 -2.994 8.128 -12.481 1.00 0.00 C ATOM 985 NZ LYS A 94 -2.298 8.979 -13.486 1.00 0.00 N ATOM 0 H LYS A 94 -5.385 10.506 -8.560 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.009 8.444 -9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.298 9.782 -10.739 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.038 8.826 -9.984 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.837 6.797 -11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.287 7.596 -11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.779 7.468 -13.476 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.820 9.146 -12.972 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.749 8.477 -11.478 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.632 7.103 -12.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.318 9.146 -13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.296 8.497 -14.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.793 9.889 -13.573 1.00 0.00 H new ATOM 999 N ALA A 95 -4.450 7.389 -7.637 1.00 0.00 N ATOM 1000 CA ALA A 95 -3.938 6.249 -6.887 1.00 0.00 C ATOM 1001 C ALA A 95 -4.954 5.768 -5.857 1.00 0.00 C ATOM 1002 O ALA A 95 -5.268 4.579 -5.789 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.625 6.610 -6.208 1.00 0.00 C ATOM 0 H ALA A 95 -3.893 8.238 -7.546 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.759 5.435 -7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.254 5.749 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.892 6.897 -6.962 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.786 7.443 -5.523 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.464 6.697 -5.057 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.442 6.367 -4.028 1.00 0.00 C ATOM 1011 C TYR A 96 -7.731 5.838 -4.651 1.00 0.00 C ATOM 1012 O TYR A 96 -8.541 5.201 -3.980 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.745 7.596 -3.169 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.097 7.545 -2.495 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.419 6.517 -1.618 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.053 8.525 -2.734 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.654 6.465 -1.000 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.289 8.483 -2.119 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.585 7.451 -1.253 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.816 7.405 -0.639 1.00 0.00 O ATOM 0 H TYR A 96 -5.216 7.685 -5.101 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.017 5.586 -3.397 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.972 7.696 -2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.693 8.487 -3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.691 5.745 -1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.825 9.334 -3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.889 5.657 -0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.020 9.254 -2.315 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.353 8.174 -0.924 1.00 0.00 H new ATOM 1030 N ALA A 97 -7.911 6.107 -5.940 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.098 5.657 -6.655 1.00 0.00 C ATOM 1032 C ALA A 97 -8.874 4.286 -7.283 1.00 0.00 C ATOM 1033 O ALA A 97 -9.781 3.456 -7.323 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.488 6.670 -7.721 1.00 0.00 C ATOM 0 H ALA A 97 -7.250 6.634 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.913 5.570 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.376 6.321 -8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.699 7.630 -7.251 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.668 6.786 -8.430 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.659 4.055 -7.772 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.317 2.784 -8.399 1.00 0.00 C ATOM 1042 C GLU A 98 -6.723 1.817 -7.380 1.00 0.00 C ATOM 1043 O GLU A 98 -7.222 0.706 -7.196 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.328 3.005 -9.546 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.965 3.590 -10.795 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.485 2.524 -11.739 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -8.383 1.758 -11.331 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -6.993 2.454 -12.885 1.00 0.00 O ATOM 0 H GLU A 98 -6.896 4.731 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.233 2.347 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.535 3.671 -9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.859 2.054 -9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.786 4.246 -10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.233 4.206 -11.317 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.653 2.247 -6.719 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.990 1.420 -5.717 1.00 0.00 C ATOM 1057 C VAL A 99 -5.989 0.882 -4.700 1.00 0.00 C ATOM 1058 O VAL A 99 -6.068 -0.325 -4.471 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.893 2.208 -4.976 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.220 1.332 -3.930 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.872 2.756 -5.962 1.00 0.00 C ATOM 0 H VAL A 99 -5.227 3.163 -6.859 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.532 0.585 -6.248 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.358 3.051 -4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.448 1.906 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.962 0.994 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.767 0.468 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.105 3.310 -5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.410 1.931 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.369 3.421 -6.669 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.752 1.784 -4.093 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.748 1.400 -3.100 1.00 0.00 C ATOM 1073 C ASP A 100 -8.629 0.270 -3.624 1.00 0.00 C ATOM 1074 O ASP A 100 -9.573 0.503 -4.378 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.613 2.604 -2.722 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.519 2.317 -1.541 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -8.998 1.944 -0.469 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.750 2.467 -1.688 1.00 0.00 O ATOM 0 H ASP A 100 -6.700 2.787 -4.271 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.223 1.046 -2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.969 3.451 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.220 2.896 -3.579 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.312 -0.957 -3.220 1.00 0.00 N ATOM 1084 CA GLY A 101 -9.084 -2.105 -3.659 1.00 0.00 C ATOM 1085 C GLY A 101 -8.253 -3.089 -4.458 1.00 0.00 C ATOM 1086 O GLY A 101 -8.781 -4.065 -4.992 1.00 0.00 O ATOM 0 H GLY A 101 -7.535 -1.176 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.504 -2.611 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.923 -1.765 -4.266 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.952 -2.833 -4.542 1.00 0.00 N ATOM 1091 CA GLN A 102 -6.048 -3.703 -5.285 1.00 0.00 C ATOM 1092 C GLN A 102 -5.254 -4.597 -4.339 1.00 0.00 C ATOM 1093 O GLN A 102 -5.199 -4.350 -3.134 1.00 0.00 O ATOM 1094 CB GLN A 102 -5.093 -2.871 -6.142 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.857 -2.401 -5.393 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.823 -1.773 -6.308 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.090 -0.795 -5.790 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -2.686 -2.164 -7.467 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.500 -2.030 -4.105 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.649 -4.337 -5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.783 -3.462 -7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.627 -2.002 -6.527 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.151 -1.677 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.409 -3.247 -4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.272 -2.919 -7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.987 -1.733 -8.071 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.639 -5.637 -4.892 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.846 -6.568 -4.098 1.00 0.00 C ATOM 1109 C VAL A 103 -2.383 -6.550 -4.527 1.00 0.00 C ATOM 1110 O VAL A 103 -2.075 -6.551 -5.719 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.386 -8.006 -4.213 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.401 -8.996 -3.610 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.747 -8.119 -3.543 1.00 0.00 C ATOM 0 H VAL A 103 -4.675 -5.856 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.921 -6.242 -3.061 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.506 -8.248 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.799 -10.007 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.451 -8.932 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.246 -8.760 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.113 -9.142 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.656 -7.858 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.448 -7.438 -4.026 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.485 -6.534 -3.548 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.053 -6.515 -3.825 1.00 0.00 C ATOM 1125 C PHE A 104 0.655 -7.657 -3.102 1.00 0.00 C ATOM 1126 O PHE A 104 0.854 -7.607 -1.888 1.00 0.00 O ATOM 1127 CB PHE A 104 0.552 -5.175 -3.402 1.00 0.00 C ATOM 1128 CG PHE A 104 1.865 -4.874 -4.065 1.00 0.00 C ATOM 1129 CD1 PHE A 104 1.965 -4.832 -5.447 1.00 0.00 C ATOM 1130 CD2 PHE A 104 3.000 -4.634 -3.308 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.172 -4.555 -6.061 1.00 0.00 C ATOM 1132 CE2 PHE A 104 4.210 -4.356 -3.917 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.296 -4.317 -5.295 1.00 0.00 C ATOM 0 H PHE A 104 -1.723 -6.534 -2.556 1.00 0.00 H new ATOM 0 HA PHE A 104 0.087 -6.646 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.154 -4.378 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.691 -5.173 -2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.089 -5.018 -6.051 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.939 -4.664 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.236 -4.525 -7.139 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.087 -4.169 -3.315 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.240 -4.101 -5.772 1.00 0.00 H new ATOM 1143 N GLN A 105 1.032 -8.684 -3.856 1.00 0.00 N ATOM 1144 CA GLN A 105 1.717 -9.839 -3.288 1.00 0.00 C ATOM 1145 C GLN A 105 0.783 -10.634 -2.382 1.00 0.00 C ATOM 1146 O GLN A 105 1.216 -11.229 -1.396 1.00 0.00 O ATOM 1147 CB GLN A 105 2.950 -9.390 -2.501 1.00 0.00 C ATOM 1148 CG GLN A 105 3.862 -8.456 -3.279 1.00 0.00 C ATOM 1149 CD GLN A 105 4.876 -9.200 -4.126 1.00 0.00 C ATOM 1150 OE1 GLN A 105 4.546 -10.186 -4.786 1.00 0.00 O ATOM 1151 NE2 GLN A 105 6.118 -8.731 -4.111 1.00 0.00 N ATOM 0 H GLN A 105 0.875 -8.740 -4.862 1.00 0.00 H new ATOM 0 HA GLN A 105 2.033 -10.483 -4.109 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.626 -8.890 -1.588 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.518 -10.270 -2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.257 -7.816 -3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.386 -7.803 -2.582 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.347 -7.911 -3.549 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.843 -9.191 -4.661 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.502 -10.639 -2.724 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.477 -11.364 -1.930 1.00 0.00 C ATOM 1162 C GLY A 106 -1.910 -10.595 -0.698 1.00 0.00 C ATOM 1163 O GLY A 106 -2.322 -11.188 0.299 1.00 0.00 O ATOM 0 H GLY A 106 -0.885 -10.154 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.351 -11.582 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.054 -12.322 -1.626 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.815 -9.271 -0.765 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.197 -8.420 0.355 1.00 0.00 C ATOM 1169 C ARG A 107 -3.050 -7.247 -0.120 1.00 0.00 C ATOM 1170 O ARG A 107 -2.577 -6.380 -0.853 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.951 -7.899 1.075 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.407 -8.859 2.121 1.00 0.00 C ATOM 1173 CD ARG A 107 -1.282 -8.882 3.365 1.00 0.00 C ATOM 1174 NE ARG A 107 -1.058 -10.080 4.170 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.713 -10.341 5.296 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -2.627 -9.494 5.747 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -1.453 -11.453 5.972 1.00 0.00 N ATOM 0 H ARG A 107 -1.477 -8.765 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.787 -9.019 1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.173 -7.698 0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.189 -6.949 1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.346 -9.862 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.607 -8.566 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.078 -7.997 3.968 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.331 -8.833 3.072 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.361 -10.753 3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.829 -8.639 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.128 -9.697 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.750 -12.107 5.627 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.956 -11.654 6.837 1.00 0.00 H new ATOM 1191 N MET A 108 -4.310 -7.230 0.304 1.00 0.00 N ATOM 1192 CA MET A 108 -5.229 -6.163 -0.077 1.00 0.00 C ATOM 1193 C MET A 108 -4.724 -4.810 0.412 1.00 0.00 C ATOM 1194 O MET A 108 -4.607 -4.577 1.616 1.00 0.00 O ATOM 1195 CB MET A 108 -6.623 -6.436 0.490 1.00 0.00 C ATOM 1196 CG MET A 108 -7.495 -7.284 -0.422 1.00 0.00 C ATOM 1197 SD MET A 108 -9.248 -6.886 -0.275 1.00 0.00 S ATOM 1198 CE MET A 108 -9.346 -5.411 -1.287 1.00 0.00 C ATOM 0 H MET A 108 -4.717 -7.942 0.911 1.00 0.00 H new ATOM 0 HA MET A 108 -5.286 -6.137 -1.165 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.523 -6.938 1.453 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.123 -5.486 0.676 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.180 -7.141 -1.456 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.345 -8.337 -0.185 1.00 0.00 H new ATOM 0 HE1 MET A 108 -10.372 -5.043 -1.296 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.689 -4.644 -0.877 1.00 0.00 H new ATOM 0 HE3 MET A 108 -9.037 -5.647 -2.305 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.425 -3.920 -0.528 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.932 -2.589 -0.193 1.00 0.00 C ATOM 1210 C LEU A 109 -5.081 -1.666 0.203 1.00 0.00 C ATOM 1211 O LEU A 109 -6.019 -1.460 -0.568 1.00 0.00 O ATOM 1212 CB LEU A 109 -3.170 -1.992 -1.377 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.922 -2.755 -1.824 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.083 -1.902 -2.764 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -1.101 -3.188 -0.619 1.00 0.00 C ATOM 0 H LEU A 109 -4.515 -4.096 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.256 -2.683 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.852 -1.922 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.877 -0.974 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.239 -3.648 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.199 -2.461 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.672 -1.642 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.775 -0.991 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.217 -3.729 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.794 -2.309 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.703 -3.837 0.017 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.000 -1.113 1.409 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.032 -0.210 1.906 1.00 0.00 C ATOM 1229 C HIS A 110 -5.554 1.239 1.862 1.00 0.00 C ATOM 1230 O HIS A 110 -4.529 1.583 2.451 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.423 -0.586 3.336 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.399 -1.720 3.410 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -8.447 -1.753 4.306 1.00 0.00 N ATOM 1234 CD2 HIS A 110 -7.481 -2.866 2.694 1.00 0.00 C ATOM 1235 CE1 HIS A 110 -9.131 -2.871 4.137 1.00 0.00 C ATOM 1236 NE2 HIS A 110 -8.566 -3.563 3.165 1.00 0.00 N ATOM 0 H HIS A 110 -4.231 -1.274 2.060 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.905 -0.306 1.261 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.524 -0.854 3.891 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.854 0.286 3.828 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -6.817 -3.174 1.900 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.004 -3.168 4.699 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -8.884 -4.469 2.820 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.302 2.083 1.159 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.955 3.494 1.038 1.00 0.00 C ATOM 1247 C VAL A 111 -7.083 4.383 1.550 1.00 0.00 C ATOM 1248 O VAL A 111 -8.253 4.164 1.234 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.642 3.871 -0.422 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.852 5.170 -0.480 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.886 2.746 -1.113 1.00 0.00 C ATOM 0 H VAL A 111 -7.153 1.814 0.664 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.065 3.655 1.646 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.584 4.022 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.640 5.421 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.435 5.971 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.914 5.050 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.673 3.030 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.949 2.560 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.493 1.841 -1.104 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.723 5.387 2.342 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.705 6.311 2.899 1.00 0.00 C ATOM 1263 C LEU A 112 -7.245 7.756 2.736 1.00 0.00 C ATOM 1264 O LEU A 112 -6.061 8.074 2.847 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.942 6.004 4.379 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.826 4.794 4.680 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -8.901 4.547 6.179 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -10.219 4.993 4.099 1.00 0.00 C ATOM 0 H LEU A 112 -5.759 5.582 2.613 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.640 6.182 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.975 5.850 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.391 6.882 4.844 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.381 3.917 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.535 3.682 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.900 4.359 6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.322 5.423 6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.835 4.122 4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.673 5.881 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.148 5.119 3.019 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.204 8.655 2.467 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.923 10.082 2.285 1.00 0.00 C ATOM 1282 C PRO A 113 -7.513 10.763 3.586 1.00 0.00 C ATOM 1283 O PRO A 113 -8.245 10.724 4.575 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.255 10.645 1.783 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.284 9.704 2.305 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.637 8.348 2.320 1.00 0.00 C ATOM 0 HA PRO A 113 -7.090 10.249 1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.421 11.657 2.151 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.279 10.694 0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.606 9.994 3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.171 9.706 1.672 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -10.004 7.737 3.145 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.838 7.797 1.401 1.00 0.00 H new ATOM 1294 N SER A 114 -6.339 11.386 3.579 1.00 0.00 N ATOM 1295 CA SER A 114 -5.831 12.073 4.760 1.00 0.00 C ATOM 1296 C SER A 114 -5.505 13.530 4.444 1.00 0.00 C ATOM 1297 O SER A 114 -4.614 13.821 3.646 1.00 0.00 O ATOM 1298 CB SER A 114 -4.583 11.364 5.291 1.00 0.00 C ATOM 1299 OG SER A 114 -4.168 11.920 6.527 1.00 0.00 O ATOM 0 H SER A 114 -5.722 11.429 2.768 1.00 0.00 H new ATOM 0 HA SER A 114 -6.607 12.050 5.525 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.791 10.302 5.418 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.776 11.446 4.562 1.00 0.00 H new ATOM 0 HG SER A 114 -3.370 11.449 6.846 1.00 0.00 H new ATOM 1305 N THR A 115 -6.235 14.443 5.078 1.00 0.00 N ATOM 1306 CA THR A 115 -6.026 15.870 4.864 1.00 0.00 C ATOM 1307 C THR A 115 -5.826 16.600 6.187 1.00 0.00 C ATOM 1308 O THR A 115 -6.340 16.178 7.224 1.00 0.00 O ATOM 1309 CB THR A 115 -7.212 16.505 4.114 1.00 0.00 C ATOM 1310 OG1 THR A 115 -8.398 16.423 4.914 1.00 0.00 O ATOM 1311 CG2 THR A 115 -7.445 15.810 2.781 1.00 0.00 C ATOM 0 H THR A 115 -6.975 14.220 5.743 1.00 0.00 H new ATOM 0 HA THR A 115 -5.126 15.971 4.257 1.00 0.00 H new ATOM 0 HB THR A 115 -6.974 17.551 3.923 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.147 16.830 4.431 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.287 16.276 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.551 15.899 2.163 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.663 14.756 2.953 1.00 0.00 H new ATOM 1319 N ILE A 116 -5.078 17.697 6.145 1.00 0.00 N ATOM 1320 CA ILE A 116 -4.813 18.487 7.341 1.00 0.00 C ATOM 1321 C ILE A 116 -6.052 18.579 8.225 1.00 0.00 C ATOM 1322 O ILE A 116 -7.097 19.071 7.800 1.00 0.00 O ATOM 1323 CB ILE A 116 -4.345 19.910 6.984 1.00 0.00 C ATOM 1324 CG1 ILE A 116 -2.904 19.882 6.470 1.00 0.00 C ATOM 1325 CG2 ILE A 116 -4.464 20.826 8.193 1.00 0.00 C ATOM 1326 CD1 ILE A 116 -2.390 21.238 6.037 1.00 0.00 C ATOM 0 H ILE A 116 -4.645 18.059 5.296 1.00 0.00 H new ATOM 0 HA ILE A 116 -4.018 17.977 7.885 1.00 0.00 H new ATOM 0 HB ILE A 116 -4.986 20.300 6.193 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -2.255 19.490 7.253 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -2.840 19.193 5.628 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -4.129 21.828 7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -5.503 20.866 8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -3.844 20.442 9.003 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -1.363 21.142 5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -3.015 21.624 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -2.421 21.926 6.882 1.00 0.00 H new ATOM 1338 N LYS A 117 -5.927 18.103 9.460 1.00 0.00 N ATOM 1339 CA LYS A 117 -7.035 18.133 10.407 1.00 0.00 C ATOM 1340 C LYS A 117 -6.944 19.358 11.312 1.00 0.00 C ATOM 1341 O LYS A 117 -6.328 19.311 12.377 1.00 0.00 O ATOM 1342 CB LYS A 117 -7.043 16.859 11.255 1.00 0.00 C ATOM 1343 CG LYS A 117 -7.227 15.589 10.443 1.00 0.00 C ATOM 1344 CD LYS A 117 -5.894 15.025 9.981 1.00 0.00 C ATOM 1345 CE LYS A 117 -5.170 14.308 11.110 1.00 0.00 C ATOM 1346 NZ LYS A 117 -4.008 13.521 10.613 1.00 0.00 N ATOM 0 H LYS A 117 -5.069 17.692 9.828 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.964 18.190 9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.106 16.794 11.807 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -7.843 16.928 11.992 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -7.750 14.845 11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -7.855 15.798 9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.057 14.333 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.268 15.833 9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.827 15.038 11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.865 13.644 11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -3.542 13.048 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -4.338 12.807 9.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -3.332 14.158 10.146 1.00 0.00 H new ATOM 1360 N LYS A 118 -7.562 20.453 10.882 1.00 0.00 N ATOM 1361 CA LYS A 118 -7.553 21.690 11.654 1.00 0.00 C ATOM 1362 C LYS A 118 -8.518 21.602 12.832 1.00 0.00 C ATOM 1363 O LYS A 118 -9.604 21.037 12.715 1.00 0.00 O ATOM 1364 CB LYS A 118 -7.928 22.875 10.761 1.00 0.00 C ATOM 1365 CG LYS A 118 -9.303 22.748 10.128 1.00 0.00 C ATOM 1366 CD LYS A 118 -9.562 23.864 9.130 1.00 0.00 C ATOM 1367 CE LYS A 118 -9.086 23.486 7.736 1.00 0.00 C ATOM 1368 NZ LYS A 118 -9.983 22.484 7.096 1.00 0.00 N ATOM 0 H LYS A 118 -8.076 20.509 10.003 1.00 0.00 H new ATOM 0 HA LYS A 118 -6.546 21.840 12.042 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -7.892 23.790 11.352 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -7.182 22.975 9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -9.386 21.784 9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -10.066 22.770 10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -10.628 24.089 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -9.053 24.771 9.456 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -9.038 24.380 7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -8.075 23.083 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -9.783 22.440 6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -9.819 21.549 7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -10.974 22.762 7.243 1.00 0.00 H new ATOM 1382 N GLU A 119 -8.113 22.167 13.966 1.00 0.00 N ATOM 1383 CA GLU A 119 -8.943 22.152 15.164 1.00 0.00 C ATOM 1384 C GLU A 119 -9.068 23.553 15.757 1.00 0.00 C ATOM 1385 O GLU A 119 -8.198 24.003 16.502 1.00 0.00 O ATOM 1386 CB GLU A 119 -8.357 21.196 16.206 1.00 0.00 C ATOM 1387 CG GLU A 119 -9.384 20.669 17.194 1.00 0.00 C ATOM 1388 CD GLU A 119 -9.777 21.700 18.234 1.00 0.00 C ATOM 1389 OE1 GLU A 119 -8.868 22.321 18.824 1.00 0.00 O ATOM 1390 OE2 GLU A 119 -10.991 21.886 18.457 1.00 0.00 O ATOM 0 H GLU A 119 -7.216 22.640 14.079 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.937 21.805 14.882 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -7.893 20.354 15.693 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.568 21.710 16.755 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -10.273 20.349 16.651 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.982 19.788 17.695 1.00 0.00 H new ATOM 1397 N ALA A 120 -10.155 24.237 15.419 1.00 0.00 N ATOM 1398 CA ALA A 120 -10.395 25.586 15.918 1.00 0.00 C ATOM 1399 C ALA A 120 -11.826 26.030 15.633 1.00 0.00 C ATOM 1400 O ALA A 120 -12.522 25.428 14.816 1.00 0.00 O ATOM 1401 CB ALA A 120 -9.405 26.561 15.300 1.00 0.00 C ATOM 0 H ALA A 120 -10.884 23.880 14.802 1.00 0.00 H new ATOM 0 HA ALA A 120 -10.253 25.578 16.999 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -9.596 27.564 15.681 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -8.389 26.261 15.559 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -9.519 26.557 14.216 1.00 0.00 H new ATOM 1407 N SER A 121 -12.259 27.087 16.313 1.00 0.00 N ATOM 1408 CA SER A 121 -13.609 27.609 16.136 1.00 0.00 C ATOM 1409 C SER A 121 -13.779 28.218 14.748 1.00 0.00 C ATOM 1410 O SER A 121 -14.764 27.954 14.060 1.00 0.00 O ATOM 1411 CB SER A 121 -13.917 28.658 17.207 1.00 0.00 C ATOM 1412 OG SER A 121 -13.075 29.789 17.069 1.00 0.00 O ATOM 0 H SER A 121 -11.695 27.598 16.991 1.00 0.00 H new ATOM 0 HA SER A 121 -14.309 26.779 16.237 1.00 0.00 H new ATOM 0 HB2 SER A 121 -14.960 28.965 17.130 1.00 0.00 H new ATOM 0 HB3 SER A 121 -13.785 28.221 18.197 1.00 0.00 H new ATOM 0 HG SER A 121 -13.292 30.445 17.763 1.00 0.00 H new ATOM 1418 N GLN A 122 -12.810 29.033 14.344 1.00 0.00 N ATOM 1419 CA GLN A 122 -12.852 29.680 13.038 1.00 0.00 C ATOM 1420 C GLN A 122 -11.533 30.385 12.737 1.00 0.00 C ATOM 1421 O GLN A 122 -10.944 31.020 13.611 1.00 0.00 O ATOM 1422 CB GLN A 122 -14.005 30.684 12.979 1.00 0.00 C ATOM 1423 CG GLN A 122 -14.448 31.020 11.565 1.00 0.00 C ATOM 1424 CD GLN A 122 -15.066 29.835 10.850 1.00 0.00 C ATOM 1425 OE1 GLN A 122 -15.791 29.041 11.451 1.00 0.00 O ATOM 1426 NE2 GLN A 122 -14.783 29.709 9.558 1.00 0.00 N ATOM 0 H GLN A 122 -11.987 29.261 14.902 1.00 0.00 H new ATOM 0 HA GLN A 122 -13.012 28.909 12.284 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -14.855 30.282 13.531 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -13.703 31.602 13.484 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -15.170 31.836 11.599 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -13.590 31.377 10.995 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -14.178 30.390 9.100 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -15.171 28.931 9.024 1.00 0.00 H new ATOM 1435 N SER A 123 -11.075 30.267 11.495 1.00 0.00 N ATOM 1436 CA SER A 123 -9.823 30.889 11.079 1.00 0.00 C ATOM 1437 C SER A 123 -9.851 32.392 11.341 1.00 0.00 C ATOM 1438 O SER A 123 -9.046 32.914 12.111 1.00 0.00 O ATOM 1439 CB SER A 123 -9.565 30.623 9.595 1.00 0.00 C ATOM 1440 OG SER A 123 -8.179 30.662 9.304 1.00 0.00 O ATOM 0 H SER A 123 -11.552 29.746 10.759 1.00 0.00 H new ATOM 0 HA SER A 123 -9.015 30.450 11.665 1.00 0.00 H new ATOM 0 HB2 SER A 123 -9.970 29.649 9.321 1.00 0.00 H new ATOM 0 HB3 SER A 123 -10.087 31.366 8.993 1.00 0.00 H new ATOM 0 HG SER A 123 -8.040 30.487 8.350 1.00 0.00 H new ATOM 1446 N GLY A 124 -10.784 33.082 10.693 1.00 0.00 N ATOM 1447 CA GLY A 124 -10.900 34.518 10.868 1.00 0.00 C ATOM 1448 C GLY A 124 -11.207 35.238 9.569 1.00 0.00 C ATOM 1449 O GLY A 124 -10.333 35.843 8.948 1.00 0.00 O ATOM 0 H GLY A 124 -11.462 32.672 10.050 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -11.687 34.730 11.592 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.970 34.906 11.284 1.00 0.00 H new ATOM 1453 N PRO A 125 -12.476 35.174 9.139 1.00 0.00 N ATOM 1454 CA PRO A 125 -12.925 35.818 7.901 1.00 0.00 C ATOM 1455 C PRO A 125 -12.934 37.339 8.009 1.00 0.00 C ATOM 1456 O PRO A 125 -13.979 37.949 8.238 1.00 0.00 O ATOM 1457 CB PRO A 125 -14.349 35.286 7.721 1.00 0.00 C ATOM 1458 CG PRO A 125 -14.799 34.935 9.098 1.00 0.00 C ATOM 1459 CD PRO A 125 -13.570 34.470 9.829 1.00 0.00 C ATOM 0 HA PRO A 125 -12.264 35.597 7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -14.998 36.037 7.272 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -14.367 34.416 7.065 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -15.246 35.797 9.594 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -15.558 34.153 9.073 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.610 34.729 10.887 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.452 33.388 9.769 1.00 0.00 H new ATOM 1467 N SER A 126 -11.764 37.947 7.843 1.00 0.00 N ATOM 1468 CA SER A 126 -11.637 39.397 7.925 1.00 0.00 C ATOM 1469 C SER A 126 -10.589 39.908 6.941 1.00 0.00 C ATOM 1470 O SER A 126 -9.772 39.140 6.434 1.00 0.00 O ATOM 1471 CB SER A 126 -11.265 39.818 9.348 1.00 0.00 C ATOM 1472 OG SER A 126 -12.396 39.789 10.201 1.00 0.00 O ATOM 0 H SER A 126 -10.890 37.458 7.651 1.00 0.00 H new ATOM 0 HA SER A 126 -12.600 39.836 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 126 -10.495 39.153 9.738 1.00 0.00 H new ATOM 0 HB3 SER A 126 -10.842 40.822 9.334 1.00 0.00 H new ATOM 0 HG SER A 126 -13.146 39.363 9.736 1.00 0.00 H new ATOM 1478 N SER A 127 -10.620 41.210 6.676 1.00 0.00 N ATOM 1479 CA SER A 127 -9.675 41.824 5.750 1.00 0.00 C ATOM 1480 C SER A 127 -8.238 41.577 6.197 1.00 0.00 C ATOM 1481 O SER A 127 -7.881 41.829 7.347 1.00 0.00 O ATOM 1482 CB SER A 127 -9.937 43.328 5.644 1.00 0.00 C ATOM 1483 OG SER A 127 -10.980 43.600 4.724 1.00 0.00 O ATOM 0 H SER A 127 -11.289 41.860 7.089 1.00 0.00 H new ATOM 0 HA SER A 127 -9.816 41.368 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 127 -10.200 43.725 6.625 1.00 0.00 H new ATOM 0 HB3 SER A 127 -9.027 43.838 5.328 1.00 0.00 H new ATOM 0 HG SER A 127 -11.129 44.567 4.675 1.00 0.00 H new ATOM 1489 N GLY A 128 -7.416 41.080 5.277 1.00 0.00 N ATOM 1490 CA GLY A 128 -6.026 40.807 5.594 1.00 0.00 C ATOM 1491 C GLY A 128 -5.855 39.532 6.397 1.00 0.00 C ATOM 1492 O GLY A 128 -5.070 39.488 7.344 1.00 0.00 O ATOM 0 H GLY A 128 -7.688 40.862 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -5.454 40.730 4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -5.613 41.645 6.156 1.00 0.00 H new TER 1496 GLY A 128