USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 995 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 19 LYS NZ :NH3+ -177:sc= 1.1 (180deg=-0.0406) USER MOD Set 1.2: A 23 TYR OH : rot 30:sc= 1.22 USER MOD Set 1.3: A 123 SER OG : rot -82:sc= 1.01 USER MOD Set 2.1: A 95 THR OG1 : rot 180:sc= 0.0803 USER MOD Set 2.2: A 103 THR OG1 : rot -95:sc= 0.0786 USER MOD Set 3.1: A 28 THR OG1 : rot 91:sc= 2.31 USER MOD Set 3.2: A 45 THR OG1 : rot 82:sc= 1.38 USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 17 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -4.6! C(o=-4.6!,f=-3.6!) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= 0.722 (180deg=-0.846) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= -0.676 (180deg=-0.704) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 158:sc= 1.15 USER MOD Single : A 36 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 39 SER OG : rot 48:sc= 0.161 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= -0.198 (180deg=-1.38) USER MOD Single : A 46 CYS SG : rot 64:sc= -3.31! USER MOD Single : A 47 SER OG : rot 180:sc= 0.193 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.043) USER MOD Single : A 57 LYS NZ :NH3+ -112:sc= 0.0189 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= -0.0396 (180deg=-0.216) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 65 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.21) USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= -0.0305 (180deg=-0.323) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -130:sc= -0.624 USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.22) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -15:sc= 0.81 USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0745) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -3.61! K(o=-3.6!,f=-1.8) USER MOD Single : A 88 ASN : amide:sc= -0.235 K(o=-0.24,f=-1.6) USER MOD Single : A 89 THR OG1 : rot -4:sc= 0.322 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 98 ASN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 100 GLN : amide:sc=-0.00438 K(o=-0.0044,f=-1) USER MOD Single : A 102 THR OG1 : rot 67:sc= 1.1 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -3.22! K(o=-3.2!,f=-0.25) USER MOD Single : A 107 THR OG1 : rot -115:sc= -2.09! USER MOD Single : A 109 LYS NZ :NH3+ 172:sc=-0.00982 (180deg=-0.124) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 62:sc= 1.25 USER MOD Single : A 118 GLN : amide:sc= -4.34! C(o=-4.3!,f=-4.6!) USER MOD Single : A 120 GLN : amide:sc= -2.77! K(o=-2.8!,f=-0.74) USER MOD Single : A 122 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0099) USER MOD Single : A 125 MET CE :methyl 161:sc= -0.145 (180deg=-0.758) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl -152:sc= -0.275 (180deg=-1.13) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -109:sc= -0.296 (180deg=-1.63!) USER MOD Single : A 131 LYS NZ :NH3+ 166:sc= -0.0129 (180deg=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 11 24.920 2.955 4.386 1.00 1.07 N ATOM 2 CA SER A 11 24.779 2.417 3.016 1.00 1.09 C ATOM 3 C SER A 11 23.365 2.662 2.513 1.00 0.93 C ATOM 4 O SER A 11 22.393 2.311 3.179 1.00 0.81 O ATOM 5 CB SER A 11 25.089 0.915 3.014 1.00 1.17 C ATOM 6 OG SER A 11 24.872 0.336 1.738 1.00 1.81 O ATOM 0 HA SER A 11 25.483 2.923 2.355 1.00 1.09 H new ATOM 0 HB2 SER A 11 26.125 0.757 3.314 1.00 1.17 H new ATOM 0 HB3 SER A 11 24.463 0.413 3.752 1.00 1.17 H new ATOM 0 HG SER A 11 25.081 -0.621 1.773 1.00 1.81 H new ATOM 14 N ALA A 12 23.266 3.267 1.328 1.00 0.96 N ATOM 15 CA ALA A 12 21.981 3.622 0.736 1.00 0.88 C ATOM 16 C ALA A 12 21.119 2.391 0.508 1.00 0.77 C ATOM 17 O ALA A 12 19.909 2.430 0.702 1.00 0.67 O ATOM 18 CB ALA A 12 22.188 4.363 -0.575 1.00 0.97 C ATOM 0 H ALA A 12 24.071 3.522 0.757 1.00 0.96 H new ATOM 0 HA ALA A 12 21.461 4.275 1.437 1.00 0.88 H new ATOM 0 HB1 ALA A 12 21.220 4.621 -1.004 1.00 0.97 H new ATOM 0 HB2 ALA A 12 22.758 5.274 -0.392 1.00 0.97 H new ATOM 0 HB3 ALA A 12 22.735 3.726 -1.270 1.00 0.97 H new ATOM 24 N SER A 13 21.751 1.303 0.099 1.00 0.87 N ATOM 25 CA SER A 13 21.047 0.055 -0.132 1.00 0.84 C ATOM 26 C SER A 13 20.572 -0.535 1.191 1.00 0.73 C ATOM 27 O SER A 13 19.397 -0.874 1.349 1.00 0.63 O ATOM 28 CB SER A 13 21.959 -0.936 -0.863 1.00 1.03 C ATOM 29 OG SER A 13 21.303 -2.170 -1.096 1.00 1.64 O ATOM 0 H SER A 13 22.754 1.260 -0.080 1.00 0.87 H new ATOM 0 HA SER A 13 20.175 0.252 -0.756 1.00 0.84 H new ATOM 0 HB2 SER A 13 22.277 -0.507 -1.813 1.00 1.03 H new ATOM 0 HB3 SER A 13 22.859 -1.107 -0.273 1.00 1.03 H new ATOM 0 HG SER A 13 21.910 -2.780 -1.565 1.00 1.64 H new ATOM 35 N ASP A 14 21.488 -0.625 2.150 1.00 0.79 N ATOM 36 CA ASP A 14 21.188 -1.229 3.443 1.00 0.78 C ATOM 37 C ASP A 14 20.130 -0.431 4.191 1.00 0.63 C ATOM 38 O ASP A 14 19.149 -0.993 4.685 1.00 0.59 O ATOM 39 CB ASP A 14 22.450 -1.324 4.298 1.00 0.93 C ATOM 40 CG ASP A 14 22.182 -1.949 5.652 1.00 1.74 C ATOM 41 OD1 ASP A 14 22.083 -3.192 5.726 1.00 1.88 O ATOM 42 OD2 ASP A 14 22.079 -1.201 6.645 1.00 2.69 O ATOM 0 H ASP A 14 22.446 -0.287 2.056 1.00 0.79 H new ATOM 0 HA ASP A 14 20.803 -2.231 3.255 1.00 0.78 H new ATOM 0 HB2 ASP A 14 23.200 -1.913 3.770 1.00 0.93 H new ATOM 0 HB3 ASP A 14 22.868 -0.327 4.437 1.00 0.93 H new ATOM 47 N ILE A 15 20.322 0.882 4.255 1.00 0.59 N ATOM 48 CA ILE A 15 19.403 1.743 4.977 1.00 0.50 C ATOM 49 C ILE A 15 18.019 1.703 4.335 1.00 0.39 C ATOM 50 O ILE A 15 17.008 1.747 5.025 1.00 0.35 O ATOM 51 CB ILE A 15 19.894 3.208 5.080 1.00 0.52 C ATOM 52 CG1 ILE A 15 19.104 3.935 6.165 1.00 0.50 C ATOM 53 CG2 ILE A 15 19.756 3.942 3.757 1.00 0.53 C ATOM 54 CD1 ILE A 15 19.609 3.666 7.566 1.00 0.58 C ATOM 0 H ILE A 15 21.104 1.368 3.816 1.00 0.59 H new ATOM 0 HA ILE A 15 19.351 1.353 5.994 1.00 0.50 H new ATOM 0 HB ILE A 15 20.953 3.193 5.339 1.00 0.52 H new ATOM 0 HG12 ILE A 15 19.142 5.007 5.974 1.00 0.50 H new ATOM 0 HG13 ILE A 15 18.057 3.637 6.102 1.00 0.50 H new ATOM 0 HG21 ILE A 15 20.111 4.966 3.870 1.00 0.53 H new ATOM 0 HG22 ILE A 15 20.349 3.435 2.996 1.00 0.53 H new ATOM 0 HG23 ILE A 15 18.709 3.952 3.454 1.00 0.53 H new ATOM 0 HD11 ILE A 15 19.000 4.215 8.284 1.00 0.58 H new ATOM 0 HD12 ILE A 15 19.545 2.599 7.777 1.00 0.58 H new ATOM 0 HD13 ILE A 15 20.647 3.990 7.647 1.00 0.58 H new ATOM 66 N ARG A 16 17.977 1.621 3.014 1.00 0.40 N ATOM 67 CA ARG A 16 16.718 1.549 2.305 1.00 0.34 C ATOM 68 C ARG A 16 16.010 0.244 2.605 1.00 0.29 C ATOM 69 O ARG A 16 14.843 0.245 2.973 1.00 0.24 O ATOM 70 CB ARG A 16 16.951 1.689 0.802 1.00 0.41 C ATOM 71 CG ARG A 16 15.779 1.241 -0.055 1.00 0.40 C ATOM 72 CD ARG A 16 16.161 1.211 -1.521 1.00 0.51 C ATOM 73 NE ARG A 16 16.387 2.552 -2.057 1.00 1.04 N ATOM 74 CZ ARG A 16 16.199 2.885 -3.333 1.00 1.14 C ATOM 75 NH1 ARG A 16 15.804 1.970 -4.214 1.00 0.97 N ATOM 76 NH2 ARG A 16 16.411 4.135 -3.727 1.00 1.88 N ATOM 0 H ARG A 16 18.803 1.603 2.415 1.00 0.40 H new ATOM 0 HA ARG A 16 16.085 2.370 2.642 1.00 0.34 H new ATOM 0 HB2 ARG A 16 17.174 2.732 0.576 1.00 0.41 H new ATOM 0 HB3 ARG A 16 17.831 1.108 0.527 1.00 0.41 H new ATOM 0 HG2 ARG A 16 15.451 0.250 0.260 1.00 0.40 H new ATOM 0 HG3 ARG A 16 14.937 1.917 0.092 1.00 0.40 H new ATOM 0 HD2 ARG A 16 17.064 0.613 -1.648 1.00 0.51 H new ATOM 0 HD3 ARG A 16 15.372 0.721 -2.091 1.00 0.51 H new ATOM 0 HE ARG A 16 16.708 3.277 -1.415 1.00 1.04 H new ATOM 0 HH11 ARG A 16 15.644 1.009 -3.914 1.00 0.97 H new ATOM 0 HH12 ARG A 16 15.661 2.230 -5.190 1.00 0.97 H new ATOM 0 HH21 ARG A 16 16.717 4.837 -3.053 1.00 1.88 H new ATOM 0 HH22 ARG A 16 16.268 4.393 -4.703 1.00 1.88 H new ATOM 90 N MET A 17 16.726 -0.863 2.469 1.00 0.34 N ATOM 91 CA MET A 17 16.138 -2.174 2.703 1.00 0.35 C ATOM 92 C MET A 17 15.558 -2.268 4.106 1.00 0.31 C ATOM 93 O MET A 17 14.500 -2.855 4.309 1.00 0.31 O ATOM 94 CB MET A 17 17.168 -3.283 2.499 1.00 0.43 C ATOM 95 CG MET A 17 17.612 -3.454 1.057 1.00 0.50 C ATOM 96 SD MET A 17 18.775 -4.818 0.856 1.00 0.63 S ATOM 97 CE MET A 17 18.996 -4.811 -0.922 1.00 1.78 C ATOM 0 H MET A 17 17.710 -0.880 2.199 1.00 0.34 H new ATOM 0 HA MET A 17 15.334 -2.304 1.979 1.00 0.35 H new ATOM 0 HB2 MET A 17 18.042 -3.071 3.115 1.00 0.43 H new ATOM 0 HB3 MET A 17 16.749 -4.224 2.854 1.00 0.43 H new ATOM 0 HG2 MET A 17 16.739 -3.629 0.429 1.00 0.50 H new ATOM 0 HG3 MET A 17 18.075 -2.530 0.710 1.00 0.50 H new ATOM 0 HE1 MET A 17 19.731 -5.566 -1.200 1.00 1.78 H new ATOM 0 HE2 MET A 17 18.046 -5.034 -1.408 1.00 1.78 H new ATOM 0 HE3 MET A 17 19.345 -3.829 -1.241 1.00 1.78 H new ATOM 107 N LYS A 18 16.248 -1.687 5.076 1.00 0.31 N ATOM 108 CA LYS A 18 15.746 -1.686 6.436 1.00 0.32 C ATOM 109 C LYS A 18 14.596 -0.692 6.582 1.00 0.28 C ATOM 110 O LYS A 18 13.616 -0.968 7.267 1.00 0.31 O ATOM 111 CB LYS A 18 16.855 -1.363 7.442 1.00 0.39 C ATOM 112 CG LYS A 18 17.306 0.090 7.440 1.00 0.48 C ATOM 113 CD LYS A 18 18.151 0.413 8.656 1.00 0.64 C ATOM 114 CE LYS A 18 19.459 -0.368 8.661 1.00 1.12 C ATOM 115 NZ LYS A 18 20.286 -0.061 9.857 1.00 1.61 N ATOM 0 H LYS A 18 17.144 -1.217 4.947 1.00 0.31 H new ATOM 0 HA LYS A 18 15.377 -2.688 6.652 1.00 0.32 H new ATOM 0 HB2 LYS A 18 16.507 -1.621 8.442 1.00 0.39 H new ATOM 0 HB3 LYS A 18 17.716 -1.998 7.231 1.00 0.39 H new ATOM 0 HG2 LYS A 18 17.878 0.293 6.534 1.00 0.48 H new ATOM 0 HG3 LYS A 18 16.433 0.743 7.419 1.00 0.48 H new ATOM 0 HD2 LYS A 18 18.366 1.481 8.676 1.00 0.64 H new ATOM 0 HD3 LYS A 18 17.588 0.184 9.561 1.00 0.64 H new ATOM 0 HE2 LYS A 18 19.244 -1.436 8.634 1.00 1.12 H new ATOM 0 HE3 LYS A 18 20.025 -0.134 7.759 1.00 1.12 H new ATOM 0 HZ1 LYS A 18 21.167 -0.613 9.821 1.00 1.61 H new ATOM 0 HZ2 LYS A 18 20.514 0.954 9.870 1.00 1.61 H new ATOM 0 HZ3 LYS A 18 19.757 -0.308 10.718 1.00 1.61 H new ATOM 129 N LYS A 19 14.715 0.455 5.916 1.00 0.25 N ATOM 130 CA LYS A 19 13.728 1.519 6.043 1.00 0.24 C ATOM 131 C LYS A 19 12.411 1.110 5.394 1.00 0.19 C ATOM 132 O LYS A 19 11.337 1.380 5.927 1.00 0.22 O ATOM 133 CB LYS A 19 14.238 2.816 5.409 1.00 0.27 C ATOM 134 CG LYS A 19 14.070 4.053 6.286 1.00 0.33 C ATOM 135 CD LYS A 19 12.626 4.256 6.723 1.00 0.38 C ATOM 136 CE LYS A 19 12.452 5.526 7.544 1.00 0.47 C ATOM 137 NZ LYS A 19 12.625 6.758 6.725 1.00 0.99 N ATOM 0 H LYS A 19 15.486 0.669 5.284 1.00 0.25 H new ATOM 0 HA LYS A 19 13.560 1.693 7.106 1.00 0.24 H new ATOM 0 HB2 LYS A 19 15.294 2.697 5.167 1.00 0.27 H new ATOM 0 HB3 LYS A 19 13.712 2.978 4.468 1.00 0.27 H new ATOM 0 HG2 LYS A 19 14.705 3.961 7.167 1.00 0.33 H new ATOM 0 HG3 LYS A 19 14.410 4.933 5.739 1.00 0.33 H new ATOM 0 HD2 LYS A 19 11.984 4.302 5.843 1.00 0.38 H new ATOM 0 HD3 LYS A 19 12.301 3.397 7.310 1.00 0.38 H new ATOM 0 HE2 LYS A 19 11.461 5.530 7.997 1.00 0.47 H new ATOM 0 HE3 LYS A 19 13.175 5.530 8.360 1.00 0.47 H new ATOM 0 HZ1 LYS A 19 12.548 7.595 7.337 1.00 0.99 H new ATOM 0 HZ2 LYS A 19 13.561 6.745 6.272 1.00 0.99 H new ATOM 0 HZ3 LYS A 19 11.887 6.795 5.993 1.00 0.99 H new ATOM 151 N VAL A 20 12.499 0.456 4.244 1.00 0.16 N ATOM 152 CA VAL A 20 11.310 -0.012 3.547 1.00 0.15 C ATOM 153 C VAL A 20 10.600 -1.080 4.365 1.00 0.17 C ATOM 154 O VAL A 20 9.387 -1.200 4.301 1.00 0.19 O ATOM 155 CB VAL A 20 11.607 -0.536 2.124 1.00 0.17 C ATOM 156 CG1 VAL A 20 12.271 0.543 1.283 1.00 0.18 C ATOM 157 CG2 VAL A 20 12.467 -1.786 2.162 1.00 0.21 C ATOM 0 H VAL A 20 13.378 0.238 3.776 1.00 0.16 H new ATOM 0 HA VAL A 20 10.658 0.854 3.432 1.00 0.15 H new ATOM 0 HB VAL A 20 10.655 -0.800 1.663 1.00 0.17 H new ATOM 0 HG11 VAL A 20 12.472 0.154 0.285 1.00 0.18 H new ATOM 0 HG12 VAL A 20 11.609 1.406 1.210 1.00 0.18 H new ATOM 0 HG13 VAL A 20 13.209 0.843 1.751 1.00 0.18 H new ATOM 0 HG21 VAL A 20 12.657 -2.128 1.145 1.00 0.21 H new ATOM 0 HG22 VAL A 20 13.414 -1.561 2.652 1.00 0.21 H new ATOM 0 HG23 VAL A 20 11.948 -2.568 2.717 1.00 0.21 H new ATOM 167 N MET A 21 11.363 -1.858 5.129 1.00 0.19 N ATOM 168 CA MET A 21 10.776 -2.827 6.049 1.00 0.25 C ATOM 169 C MET A 21 10.002 -2.109 7.151 1.00 0.25 C ATOM 170 O MET A 21 8.967 -2.596 7.614 1.00 0.27 O ATOM 171 CB MET A 21 11.853 -3.722 6.665 1.00 0.38 C ATOM 172 CG MET A 21 12.486 -4.688 5.677 1.00 1.02 C ATOM 173 SD MET A 21 11.300 -5.856 4.980 1.00 2.01 S ATOM 174 CE MET A 21 12.387 -6.846 3.958 1.00 2.72 C ATOM 0 H MET A 21 12.383 -1.837 5.129 1.00 0.19 H new ATOM 0 HA MET A 21 10.090 -3.456 5.483 1.00 0.25 H new ATOM 0 HB2 MET A 21 12.633 -3.093 7.095 1.00 0.38 H new ATOM 0 HB3 MET A 21 11.414 -4.291 7.485 1.00 0.38 H new ATOM 0 HG2 MET A 21 12.949 -4.122 4.869 1.00 1.02 H new ATOM 0 HG3 MET A 21 13.282 -5.240 6.176 1.00 1.02 H new ATOM 0 HE1 MET A 21 11.808 -7.620 3.454 1.00 2.72 H new ATOM 0 HE2 MET A 21 12.867 -6.210 3.215 1.00 2.72 H new ATOM 0 HE3 MET A 21 13.149 -7.312 4.583 1.00 2.72 H new ATOM 184 N GLN A 22 10.504 -0.946 7.557 1.00 0.26 N ATOM 185 CA GLN A 22 9.813 -0.110 8.535 1.00 0.29 C ATOM 186 C GLN A 22 8.496 0.376 7.937 1.00 0.26 C ATOM 187 O GLN A 22 7.442 0.300 8.571 1.00 0.31 O ATOM 188 CB GLN A 22 10.673 1.098 8.929 1.00 0.33 C ATOM 189 CG GLN A 22 12.128 0.761 9.212 1.00 0.40 C ATOM 190 CD GLN A 22 12.972 1.991 9.499 1.00 0.60 C ATOM 191 OE1 GLN A 22 12.503 2.956 10.099 1.00 1.05 O ATOM 192 NE2 GLN A 22 14.209 1.992 9.016 1.00 0.52 N ATOM 0 H GLN A 22 11.388 -0.561 7.224 1.00 0.26 H new ATOM 0 HA GLN A 22 9.623 -0.703 9.430 1.00 0.29 H new ATOM 0 HB2 GLN A 22 10.632 1.836 8.128 1.00 0.33 H new ATOM 0 HB3 GLN A 22 10.241 1.564 9.814 1.00 0.33 H new ATOM 0 HG2 GLN A 22 12.180 0.083 10.064 1.00 0.40 H new ATOM 0 HG3 GLN A 22 12.546 0.230 8.357 1.00 0.40 H new ATOM 0 HE21 GLN A 22 14.565 1.173 8.523 1.00 0.52 H new ATOM 0 HE22 GLN A 22 14.803 2.812 9.138 1.00 0.52 H new ATOM 201 N TYR A 23 8.573 0.860 6.700 1.00 0.20 N ATOM 202 CA TYR A 23 7.391 1.306 5.970 1.00 0.19 C ATOM 203 C TYR A 23 6.449 0.140 5.719 1.00 0.17 C ATOM 204 O TYR A 23 5.235 0.279 5.808 1.00 0.18 O ATOM 205 CB TYR A 23 7.779 1.933 4.627 1.00 0.17 C ATOM 206 CG TYR A 23 8.471 3.269 4.740 1.00 0.21 C ATOM 207 CD1 TYR A 23 9.753 3.454 4.244 1.00 0.24 C ATOM 208 CD2 TYR A 23 7.839 4.346 5.335 1.00 0.26 C ATOM 209 CE1 TYR A 23 10.384 4.673 4.341 1.00 0.29 C ATOM 210 CE2 TYR A 23 8.463 5.571 5.437 1.00 0.31 C ATOM 211 CZ TYR A 23 9.737 5.728 4.936 1.00 0.32 C ATOM 212 OH TYR A 23 10.372 6.941 5.042 1.00 0.38 O ATOM 0 H TYR A 23 9.446 0.953 6.181 1.00 0.20 H new ATOM 0 HA TYR A 23 6.890 2.056 6.582 1.00 0.19 H new ATOM 0 HB2 TYR A 23 8.432 1.243 4.093 1.00 0.17 H new ATOM 0 HB3 TYR A 23 6.880 2.053 4.023 1.00 0.17 H new ATOM 0 HD1 TYR A 23 10.265 2.627 3.774 1.00 0.24 H new ATOM 0 HD2 TYR A 23 6.840 4.225 5.726 1.00 0.26 H new ATOM 0 HE1 TYR A 23 11.383 4.799 3.951 1.00 0.29 H new ATOM 0 HE2 TYR A 23 7.957 6.402 5.906 1.00 0.31 H new ATOM 0 HH TYR A 23 10.996 7.050 4.294 1.00 0.38 H new ATOM 222 N ARG A 24 7.034 -1.009 5.414 1.00 0.17 N ATOM 223 CA ARG A 24 6.284 -2.205 5.068 1.00 0.17 C ATOM 224 C ARG A 24 5.328 -2.595 6.184 1.00 0.17 C ATOM 225 O ARG A 24 4.192 -2.969 5.927 1.00 0.19 O ATOM 226 CB ARG A 24 7.246 -3.356 4.769 1.00 0.18 C ATOM 227 CG ARG A 24 6.606 -4.507 4.018 1.00 0.21 C ATOM 228 CD ARG A 24 7.646 -5.517 3.563 1.00 0.25 C ATOM 229 NE ARG A 24 7.060 -6.539 2.703 1.00 0.33 N ATOM 230 CZ ARG A 24 7.382 -7.828 2.739 1.00 0.47 C ATOM 231 NH1 ARG A 24 8.265 -8.278 3.624 1.00 0.57 N ATOM 232 NH2 ARG A 24 6.813 -8.673 1.887 1.00 0.57 N ATOM 0 H ARG A 24 8.046 -1.137 5.400 1.00 0.17 H new ATOM 0 HA ARG A 24 5.692 -1.992 4.178 1.00 0.17 H new ATOM 0 HB2 ARG A 24 8.084 -2.975 4.186 1.00 0.18 H new ATOM 0 HB3 ARG A 24 7.655 -3.729 5.708 1.00 0.18 H new ATOM 0 HG2 ARG A 24 5.874 -4.999 4.658 1.00 0.21 H new ATOM 0 HG3 ARG A 24 6.066 -4.123 3.153 1.00 0.21 H new ATOM 0 HD2 ARG A 24 8.444 -5.003 3.027 1.00 0.25 H new ATOM 0 HD3 ARG A 24 8.101 -5.990 4.434 1.00 0.25 H new ATOM 0 HE ARG A 24 6.355 -6.244 2.028 1.00 0.33 H new ATOM 0 HH11 ARG A 24 8.701 -7.633 4.282 1.00 0.57 H new ATOM 0 HH12 ARG A 24 8.507 -9.269 3.645 1.00 0.57 H new ATOM 0 HH21 ARG A 24 6.132 -8.332 1.209 1.00 0.57 H new ATOM 0 HH22 ARG A 24 7.057 -9.663 1.911 1.00 0.57 H new ATOM 246 N ARG A 25 5.787 -2.484 7.422 1.00 0.18 N ATOM 247 CA ARG A 25 4.963 -2.825 8.578 1.00 0.18 C ATOM 248 C ARG A 25 3.809 -1.843 8.735 1.00 0.17 C ATOM 249 O ARG A 25 2.710 -2.216 9.146 1.00 0.20 O ATOM 250 CB ARG A 25 5.809 -2.845 9.840 1.00 0.22 C ATOM 251 CG ARG A 25 6.900 -3.895 9.805 1.00 0.32 C ATOM 252 CD ARG A 25 7.637 -3.968 11.122 1.00 0.73 C ATOM 253 NE ARG A 25 8.671 -5.000 11.113 1.00 1.44 N ATOM 254 CZ ARG A 25 9.395 -5.337 12.178 1.00 2.11 C ATOM 255 NH1 ARG A 25 9.205 -4.715 13.336 1.00 2.44 N ATOM 256 NH2 ARG A 25 10.307 -6.297 12.085 1.00 2.87 N ATOM 0 H ARG A 25 6.726 -2.160 7.654 1.00 0.18 H new ATOM 0 HA ARG A 25 4.545 -3.819 8.415 1.00 0.18 H new ATOM 0 HB2 ARG A 25 6.261 -1.864 9.983 1.00 0.22 H new ATOM 0 HB3 ARG A 25 5.164 -3.027 10.700 1.00 0.22 H new ATOM 0 HG2 ARG A 25 6.464 -4.867 9.576 1.00 0.32 H new ATOM 0 HG3 ARG A 25 7.603 -3.665 9.005 1.00 0.32 H new ATOM 0 HD2 ARG A 25 8.092 -3.001 11.337 1.00 0.73 H new ATOM 0 HD3 ARG A 25 6.928 -4.172 11.924 1.00 0.73 H new ATOM 0 HE ARG A 25 8.849 -5.492 10.238 1.00 1.44 H new ATOM 0 HH11 ARG A 25 8.504 -3.978 13.410 1.00 2.44 H new ATOM 0 HH12 ARG A 25 9.760 -4.974 14.151 1.00 2.44 H new ATOM 0 HH21 ARG A 25 10.453 -6.777 11.197 1.00 2.87 H new ATOM 0 HH22 ARG A 25 10.861 -6.555 12.902 1.00 2.87 H new ATOM 270 N ALA A 26 4.060 -0.590 8.384 1.00 0.17 N ATOM 271 CA ALA A 26 3.040 0.445 8.451 1.00 0.19 C ATOM 272 C ALA A 26 2.122 0.371 7.237 1.00 0.19 C ATOM 273 O ALA A 26 1.074 1.012 7.188 1.00 0.28 O ATOM 274 CB ALA A 26 3.690 1.811 8.540 1.00 0.23 C ATOM 0 H ALA A 26 4.967 -0.265 8.048 1.00 0.17 H new ATOM 0 HA ALA A 26 2.438 0.284 9.345 1.00 0.19 H new ATOM 0 HB1 ALA A 26 2.918 2.579 8.590 1.00 0.23 H new ATOM 0 HB2 ALA A 26 4.310 1.861 9.435 1.00 0.23 H new ATOM 0 HB3 ALA A 26 4.310 1.977 7.659 1.00 0.23 H new ATOM 280 N LEU A 27 2.551 -0.391 6.244 1.00 0.15 N ATOM 281 CA LEU A 27 1.754 -0.638 5.053 1.00 0.15 C ATOM 282 C LEU A 27 1.053 -1.996 5.137 1.00 0.17 C ATOM 283 O LEU A 27 0.132 -2.271 4.374 1.00 0.21 O ATOM 284 CB LEU A 27 2.644 -0.568 3.807 1.00 0.15 C ATOM 285 CG LEU A 27 2.766 0.811 3.129 1.00 0.15 C ATOM 286 CD1 LEU A 27 2.704 1.951 4.136 1.00 0.15 C ATOM 287 CD2 LEU A 27 4.068 0.891 2.348 1.00 0.16 C ATOM 0 H LEU A 27 3.459 -0.855 6.240 1.00 0.15 H new ATOM 0 HA LEU A 27 0.985 0.132 4.983 1.00 0.15 H new ATOM 0 HB2 LEU A 27 3.644 -0.903 4.082 1.00 0.15 H new ATOM 0 HB3 LEU A 27 2.261 -1.277 3.073 1.00 0.15 H new ATOM 0 HG LEU A 27 1.918 0.918 2.452 1.00 0.15 H new ATOM 0 HD11 LEU A 27 2.794 2.903 3.613 1.00 0.15 H new ATOM 0 HD12 LEU A 27 1.752 1.917 4.666 1.00 0.15 H new ATOM 0 HD13 LEU A 27 3.521 1.850 4.850 1.00 0.15 H new ATOM 0 HD21 LEU A 27 4.147 1.868 1.872 1.00 0.16 H new ATOM 0 HD22 LEU A 27 4.909 0.749 3.027 1.00 0.16 H new ATOM 0 HD23 LEU A 27 4.083 0.113 1.585 1.00 0.16 H new ATOM 299 N THR A 28 1.474 -2.829 6.085 1.00 0.17 N ATOM 300 CA THR A 28 0.868 -4.145 6.266 1.00 0.15 C ATOM 301 C THR A 28 -0.278 -4.095 7.259 1.00 0.17 C ATOM 302 O THR A 28 -0.078 -3.985 8.470 1.00 0.19 O ATOM 303 CB THR A 28 1.903 -5.194 6.726 1.00 0.17 C ATOM 304 OG1 THR A 28 2.989 -5.251 5.795 1.00 0.20 O ATOM 305 CG2 THR A 28 1.272 -6.573 6.853 1.00 0.20 C ATOM 0 H THR A 28 2.229 -2.617 6.737 1.00 0.17 H new ATOM 0 HA THR A 28 0.480 -4.444 5.292 1.00 0.15 H new ATOM 0 HB THR A 28 2.273 -4.892 7.706 1.00 0.17 H new ATOM 0 HG1 THR A 28 3.688 -4.621 6.069 1.00 0.20 H new ATOM 0 HG21 THR A 28 2.026 -7.290 7.178 1.00 0.20 H new ATOM 0 HG22 THR A 28 0.465 -6.538 7.585 1.00 0.20 H new ATOM 0 HG23 THR A 28 0.872 -6.881 5.887 1.00 0.20 H new ATOM 313 N LYS A 29 -1.484 -4.152 6.719 1.00 0.17 N ATOM 314 CA LYS A 29 -2.692 -4.110 7.504 1.00 0.22 C ATOM 315 C LYS A 29 -3.841 -4.785 6.791 1.00 0.19 C ATOM 316 O LYS A 29 -3.717 -5.179 5.636 1.00 0.18 O ATOM 317 CB LYS A 29 -3.066 -2.695 7.869 1.00 0.31 C ATOM 318 CG LYS A 29 -2.669 -1.646 6.892 1.00 0.61 C ATOM 319 CD LYS A 29 -1.280 -1.137 7.227 1.00 0.72 C ATOM 320 CE LYS A 29 -1.259 -0.237 8.458 1.00 0.44 C ATOM 321 NZ LYS A 29 -1.950 1.057 8.233 1.00 0.79 N ATOM 0 H LYS A 29 -1.646 -4.229 5.715 1.00 0.17 H new ATOM 0 HA LYS A 29 -2.490 -4.659 8.424 1.00 0.22 H new ATOM 0 HB2 LYS A 29 -4.147 -2.649 8.004 1.00 0.31 H new ATOM 0 HB3 LYS A 29 -2.614 -2.457 8.832 1.00 0.31 H new ATOM 0 HG2 LYS A 29 -2.684 -2.052 5.881 1.00 0.61 H new ATOM 0 HG3 LYS A 29 -3.384 -0.824 6.916 1.00 0.61 H new ATOM 0 HD2 LYS A 29 -0.617 -1.986 7.393 1.00 0.72 H new ATOM 0 HD3 LYS A 29 -0.885 -0.586 6.374 1.00 0.72 H new ATOM 0 HE2 LYS A 29 -1.732 -0.757 9.291 1.00 0.44 H new ATOM 0 HE3 LYS A 29 -0.225 -0.047 8.746 1.00 0.44 H new ATOM 0 HZ1 LYS A 29 -1.501 1.795 8.812 1.00 0.79 H new ATOM 0 HZ2 LYS A 29 -1.883 1.316 7.228 1.00 0.79 H new ATOM 0 HZ3 LYS A 29 -2.951 0.967 8.501 1.00 0.79 H new ATOM 335 N VAL A 30 -4.955 -4.920 7.480 1.00 0.22 N ATOM 336 CA VAL A 30 -6.171 -5.387 6.852 1.00 0.22 C ATOM 337 C VAL A 30 -7.036 -4.184 6.529 1.00 0.19 C ATOM 338 O VAL A 30 -7.322 -3.356 7.395 1.00 0.23 O ATOM 339 CB VAL A 30 -6.951 -6.410 7.716 1.00 0.30 C ATOM 340 CG1 VAL A 30 -6.152 -7.696 7.854 1.00 0.81 C ATOM 341 CG2 VAL A 30 -7.289 -5.846 9.089 1.00 1.03 C ATOM 0 H VAL A 30 -5.043 -4.713 8.475 1.00 0.22 H new ATOM 0 HA VAL A 30 -5.899 -5.920 5.941 1.00 0.22 H new ATOM 0 HB VAL A 30 -7.891 -6.625 7.209 1.00 0.30 H new ATOM 0 HG11 VAL A 30 -6.710 -8.407 8.463 1.00 0.81 H new ATOM 0 HG12 VAL A 30 -5.976 -8.123 6.867 1.00 0.81 H new ATOM 0 HG13 VAL A 30 -5.196 -7.481 8.331 1.00 0.81 H new ATOM 0 HG21 VAL A 30 -7.836 -6.593 9.665 1.00 1.03 H new ATOM 0 HG22 VAL A 30 -6.369 -5.587 9.612 1.00 1.03 H new ATOM 0 HG23 VAL A 30 -7.905 -4.954 8.974 1.00 1.03 H new ATOM 351 N VAL A 31 -7.397 -4.065 5.271 1.00 0.16 N ATOM 352 CA VAL A 31 -8.105 -2.906 4.780 1.00 0.15 C ATOM 353 C VAL A 31 -9.068 -3.321 3.674 1.00 0.15 C ATOM 354 O VAL A 31 -8.802 -4.257 2.936 1.00 0.18 O ATOM 355 CB VAL A 31 -7.093 -1.848 4.269 1.00 0.18 C ATOM 356 CG1 VAL A 31 -7.471 -1.319 2.899 1.00 0.18 C ATOM 357 CG2 VAL A 31 -6.960 -0.710 5.267 1.00 0.26 C ATOM 0 H VAL A 31 -7.207 -4.771 4.559 1.00 0.16 H new ATOM 0 HA VAL A 31 -8.684 -2.462 5.590 1.00 0.15 H new ATOM 0 HB VAL A 31 -6.126 -2.341 4.171 1.00 0.18 H new ATOM 0 HG11 VAL A 31 -6.736 -0.581 2.579 1.00 0.18 H new ATOM 0 HG12 VAL A 31 -7.494 -2.142 2.185 1.00 0.18 H new ATOM 0 HG13 VAL A 31 -8.455 -0.854 2.948 1.00 0.18 H new ATOM 0 HG21 VAL A 31 -6.246 0.022 4.891 1.00 0.26 H new ATOM 0 HG22 VAL A 31 -7.930 -0.233 5.406 1.00 0.26 H new ATOM 0 HG23 VAL A 31 -6.609 -1.102 6.221 1.00 0.26 H new ATOM 367 N LYS A 32 -10.173 -2.623 3.552 1.00 0.14 N ATOM 368 CA LYS A 32 -11.193 -2.996 2.596 1.00 0.13 C ATOM 369 C LYS A 32 -11.129 -2.097 1.372 1.00 0.12 C ATOM 370 O LYS A 32 -11.299 -0.880 1.466 1.00 0.14 O ATOM 371 CB LYS A 32 -12.569 -2.934 3.259 1.00 0.14 C ATOM 372 CG LYS A 32 -13.643 -3.706 2.516 1.00 0.15 C ATOM 373 CD LYS A 32 -14.590 -2.780 1.777 1.00 0.26 C ATOM 374 CE LYS A 32 -15.777 -3.542 1.214 1.00 0.28 C ATOM 375 NZ LYS A 32 -16.856 -2.632 0.747 1.00 0.67 N ATOM 0 H LYS A 32 -10.390 -1.792 4.103 1.00 0.14 H new ATOM 0 HA LYS A 32 -11.017 -4.019 2.264 1.00 0.13 H new ATOM 0 HB2 LYS A 32 -12.491 -3.324 4.274 1.00 0.14 H new ATOM 0 HB3 LYS A 32 -12.876 -1.891 3.341 1.00 0.14 H new ATOM 0 HG2 LYS A 32 -13.175 -4.389 1.807 1.00 0.15 H new ATOM 0 HG3 LYS A 32 -14.207 -4.316 3.222 1.00 0.15 H new ATOM 0 HD2 LYS A 32 -14.942 -2.001 2.453 1.00 0.26 H new ATOM 0 HD3 LYS A 32 -14.057 -2.282 0.967 1.00 0.26 H new ATOM 0 HE2 LYS A 32 -15.446 -4.166 0.384 1.00 0.28 H new ATOM 0 HE3 LYS A 32 -16.173 -4.211 1.978 1.00 0.28 H new ATOM 0 HZ1 LYS A 32 -17.697 -3.190 0.498 1.00 0.67 H new ATOM 0 HZ2 LYS A 32 -17.097 -1.962 1.505 1.00 0.67 H new ATOM 0 HZ3 LYS A 32 -16.529 -2.106 -0.089 1.00 0.67 H new ATOM 389 N LEU A 33 -10.866 -2.706 0.229 1.00 0.12 N ATOM 390 CA LEU A 33 -10.768 -1.967 -1.020 1.00 0.13 C ATOM 391 C LEU A 33 -12.131 -1.796 -1.647 1.00 0.14 C ATOM 392 O LEU A 33 -12.981 -2.679 -1.552 1.00 0.16 O ATOM 393 CB LEU A 33 -9.828 -2.663 -2.004 1.00 0.16 C ATOM 394 CG LEU A 33 -8.343 -2.400 -1.771 1.00 0.18 C ATOM 395 CD1 LEU A 33 -7.496 -3.267 -2.689 1.00 0.21 C ATOM 396 CD2 LEU A 33 -8.035 -0.929 -2.001 1.00 0.18 C ATOM 0 H LEU A 33 -10.716 -3.711 0.139 1.00 0.12 H new ATOM 0 HA LEU A 33 -10.358 -0.984 -0.788 1.00 0.13 H new ATOM 0 HB2 LEU A 33 -10.004 -3.738 -1.953 1.00 0.16 H new ATOM 0 HB3 LEU A 33 -10.084 -2.345 -3.015 1.00 0.16 H new ATOM 0 HG LEU A 33 -8.100 -2.656 -0.740 1.00 0.18 H new ATOM 0 HD11 LEU A 33 -6.440 -3.065 -2.508 1.00 0.21 H new ATOM 0 HD12 LEU A 33 -7.704 -4.318 -2.490 1.00 0.21 H new ATOM 0 HD13 LEU A 33 -7.736 -3.040 -3.728 1.00 0.21 H new ATOM 0 HD21 LEU A 33 -6.973 -0.749 -1.833 1.00 0.18 H new ATOM 0 HD22 LEU A 33 -8.291 -0.660 -3.026 1.00 0.18 H new ATOM 0 HD23 LEU A 33 -8.620 -0.322 -1.310 1.00 0.18 H new ATOM 408 N LYS A 34 -12.341 -0.647 -2.269 1.00 0.15 N ATOM 409 CA LYS A 34 -13.613 -0.353 -2.929 1.00 0.19 C ATOM 410 C LYS A 34 -13.372 0.462 -4.184 1.00 0.21 C ATOM 411 O LYS A 34 -13.035 1.638 -4.103 1.00 0.23 O ATOM 412 CB LYS A 34 -14.542 0.449 -2.016 1.00 0.22 C ATOM 413 CG LYS A 34 -14.568 -0.014 -0.573 1.00 0.23 C ATOM 414 CD LYS A 34 -15.540 0.809 0.258 1.00 0.47 C ATOM 415 CE LYS A 34 -15.237 2.296 0.187 1.00 0.45 C ATOM 416 NZ LYS A 34 -16.229 3.096 0.949 1.00 0.84 N ATOM 0 H LYS A 34 -11.650 0.101 -2.333 1.00 0.15 H new ATOM 0 HA LYS A 34 -14.080 -1.307 -3.173 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -14.239 1.496 -2.042 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.554 0.400 -2.417 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -14.852 -1.066 -0.532 1.00 0.23 H new ATOM 0 HG3 LYS A 34 -13.568 0.063 -0.147 1.00 0.23 H new ATOM 0 HD2 LYS A 34 -16.557 0.630 -0.091 1.00 0.47 H new ATOM 0 HD3 LYS A 34 -15.497 0.480 1.296 1.00 0.47 H new ATOM 0 HE2 LYS A 34 -14.238 2.483 0.582 1.00 0.45 H new ATOM 0 HE3 LYS A 34 -15.233 2.617 -0.855 1.00 0.45 H new ATOM 0 HZ1 LYS A 34 -15.990 4.106 0.877 1.00 0.84 H new ATOM 0 HZ2 LYS A 34 -17.179 2.937 0.556 1.00 0.84 H new ATOM 0 HZ3 LYS A 34 -16.215 2.807 1.948 1.00 0.84 H new ATOM 430 N THR A 35 -13.517 -0.160 -5.336 1.00 0.23 N ATOM 431 CA THR A 35 -13.361 0.550 -6.593 1.00 0.26 C ATOM 432 C THR A 35 -13.835 -0.318 -7.762 1.00 0.28 C ATOM 433 O THR A 35 -14.498 -1.335 -7.544 1.00 0.28 O ATOM 434 CB THR A 35 -11.892 1.027 -6.773 1.00 0.27 C ATOM 435 OG1 THR A 35 -11.695 1.664 -8.042 1.00 0.34 O ATOM 436 CG2 THR A 35 -10.908 -0.122 -6.610 1.00 0.27 C ATOM 0 H THR A 35 -13.741 -1.151 -5.430 1.00 0.23 H new ATOM 0 HA THR A 35 -13.989 1.441 -6.577 1.00 0.26 H new ATOM 0 HB THR A 35 -11.702 1.759 -5.988 1.00 0.27 H new ATOM 0 HG1 THR A 35 -10.911 2.250 -7.996 1.00 0.34 H new ATOM 0 HG21 THR A 35 -9.891 0.248 -6.742 1.00 0.27 H new ATOM 0 HG22 THR A 35 -11.011 -0.551 -5.613 1.00 0.27 H new ATOM 0 HG23 THR A 35 -11.116 -0.888 -7.358 1.00 0.27 H new ATOM 444 N HIS A 36 -13.492 0.070 -8.987 1.00 0.33 N ATOM 445 CA HIS A 36 -13.877 -0.685 -10.183 1.00 0.38 C ATOM 446 C HIS A 36 -13.243 -2.074 -10.153 1.00 0.34 C ATOM 447 O HIS A 36 -13.685 -2.999 -10.836 1.00 0.37 O ATOM 448 CB HIS A 36 -13.446 0.059 -11.450 1.00 0.48 C ATOM 449 CG HIS A 36 -14.086 1.404 -11.615 1.00 1.31 C ATOM 450 ND1 HIS A 36 -15.149 1.636 -12.459 1.00 2.07 N ATOM 451 CD2 HIS A 36 -13.794 2.601 -11.048 1.00 2.25 C ATOM 452 CE1 HIS A 36 -15.483 2.910 -12.403 1.00 2.94 C ATOM 453 NE2 HIS A 36 -14.678 3.517 -11.555 1.00 3.02 N ATOM 0 H HIS A 36 -12.944 0.908 -9.182 1.00 0.33 H new ATOM 0 HA HIS A 36 -14.962 -0.788 -10.192 1.00 0.38 H new ATOM 0 HB2 HIS A 36 -12.363 0.183 -11.436 1.00 0.48 H new ATOM 0 HB3 HIS A 36 -13.685 -0.555 -12.318 1.00 0.48 H new ATOM 0 HD2 HIS A 36 -13.011 2.796 -10.331 1.00 2.25 H new ATOM 0 HE1 HIS A 36 -16.282 3.378 -12.959 1.00 2.94 H new ATOM 0 HE2 HIS A 36 -14.708 4.508 -11.315 1.00 3.02 H new ATOM 462 N LEU A 37 -12.211 -2.192 -9.334 1.00 0.32 N ATOM 463 CA LEU A 37 -11.537 -3.455 -9.079 1.00 0.33 C ATOM 464 C LEU A 37 -12.503 -4.418 -8.394 1.00 0.31 C ATOM 465 O LEU A 37 -12.878 -5.446 -8.958 1.00 0.36 O ATOM 466 CB LEU A 37 -10.333 -3.178 -8.170 1.00 0.38 C ATOM 467 CG LEU A 37 -9.475 -4.375 -7.774 1.00 0.46 C ATOM 468 CD1 LEU A 37 -8.677 -4.890 -8.962 1.00 1.00 C ATOM 469 CD2 LEU A 37 -8.557 -3.988 -6.617 1.00 0.32 C ATOM 0 H LEU A 37 -11.813 -1.405 -8.822 1.00 0.32 H new ATOM 0 HA LEU A 37 -11.201 -3.906 -10.013 1.00 0.33 H new ATOM 0 HB2 LEU A 37 -9.692 -2.452 -8.669 1.00 0.38 H new ATOM 0 HB3 LEU A 37 -10.699 -2.707 -7.258 1.00 0.38 H new ATOM 0 HG LEU A 37 -10.127 -5.185 -7.447 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -8.074 -5.743 -8.653 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.360 -5.197 -9.754 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -8.024 -4.099 -9.332 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.945 -4.845 -6.336 1.00 0.32 H new ATOM 0 HD22 LEU A 37 -7.911 -3.166 -6.925 1.00 0.32 H new ATOM 0 HD23 LEU A 37 -9.159 -3.676 -5.763 1.00 0.32 H new ATOM 481 N PHE A 38 -12.906 -4.054 -7.183 1.00 0.26 N ATOM 482 CA PHE A 38 -13.883 -4.807 -6.405 1.00 0.26 C ATOM 483 C PHE A 38 -14.108 -4.104 -5.080 1.00 0.23 C ATOM 484 O PHE A 38 -13.603 -2.999 -4.867 1.00 0.22 O ATOM 485 CB PHE A 38 -13.423 -6.256 -6.154 1.00 0.27 C ATOM 486 CG PHE A 38 -12.078 -6.390 -5.485 1.00 0.32 C ATOM 487 CD1 PHE A 38 -10.974 -6.861 -6.181 1.00 0.73 C ATOM 488 CD2 PHE A 38 -11.920 -6.027 -4.162 1.00 0.67 C ATOM 489 CE1 PHE A 38 -9.743 -6.969 -5.566 1.00 0.82 C ATOM 490 CE2 PHE A 38 -10.692 -6.134 -3.543 1.00 0.71 C ATOM 491 CZ PHE A 38 -9.600 -6.666 -4.263 1.00 0.55 C ATOM 0 H PHE A 38 -12.561 -3.220 -6.708 1.00 0.26 H new ATOM 0 HA PHE A 38 -14.811 -4.852 -6.974 1.00 0.26 H new ATOM 0 HB2 PHE A 38 -14.170 -6.757 -5.538 1.00 0.27 H new ATOM 0 HB3 PHE A 38 -13.392 -6.782 -7.108 1.00 0.27 H new ATOM 0 HD1 PHE A 38 -11.079 -7.147 -7.217 1.00 0.73 H new ATOM 0 HD2 PHE A 38 -12.768 -5.655 -3.606 1.00 0.67 H new ATOM 0 HE1 PHE A 38 -8.887 -7.300 -6.136 1.00 0.82 H new ATOM 0 HE2 PHE A 38 -10.567 -5.814 -2.519 1.00 0.71 H new ATOM 0 HZ PHE A 38 -8.653 -6.829 -3.769 1.00 0.55 H new ATOM 501 N SER A 39 -14.864 -4.735 -4.201 1.00 0.23 N ATOM 502 CA SER A 39 -15.010 -4.245 -2.850 1.00 0.22 C ATOM 503 C SER A 39 -14.926 -5.406 -1.868 1.00 0.22 C ATOM 504 O SER A 39 -15.910 -6.105 -1.637 1.00 0.28 O ATOM 505 CB SER A 39 -16.339 -3.509 -2.710 1.00 0.27 C ATOM 506 OG SER A 39 -17.392 -4.254 -3.301 1.00 0.34 O ATOM 0 H SER A 39 -15.385 -5.588 -4.402 1.00 0.23 H new ATOM 0 HA SER A 39 -14.204 -3.547 -2.626 1.00 0.22 H new ATOM 0 HB2 SER A 39 -16.556 -3.338 -1.656 1.00 0.27 H new ATOM 0 HB3 SER A 39 -16.269 -2.530 -3.184 1.00 0.27 H new ATOM 0 HG SER A 39 -17.344 -5.185 -2.999 1.00 0.34 H new ATOM 512 N GLU A 40 -13.753 -5.577 -1.273 1.00 0.20 N ATOM 513 CA GLU A 40 -13.481 -6.698 -0.380 1.00 0.24 C ATOM 514 C GLU A 40 -12.421 -6.299 0.634 1.00 0.18 C ATOM 515 O GLU A 40 -11.642 -5.378 0.394 1.00 0.15 O ATOM 516 CB GLU A 40 -12.975 -7.918 -1.162 1.00 0.33 C ATOM 517 CG GLU A 40 -14.006 -8.570 -2.074 1.00 0.47 C ATOM 518 CD GLU A 40 -15.139 -9.226 -1.308 1.00 1.15 C ATOM 519 OE1 GLU A 40 -14.859 -10.060 -0.422 1.00 1.45 O ATOM 520 OE2 GLU A 40 -16.318 -8.927 -1.600 1.00 2.08 O ATOM 0 H GLU A 40 -12.963 -4.944 -1.395 1.00 0.20 H new ATOM 0 HA GLU A 40 -14.412 -6.959 0.123 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -12.119 -7.615 -1.765 1.00 0.33 H new ATOM 0 HB3 GLU A 40 -12.617 -8.663 -0.452 1.00 0.33 H new ATOM 0 HG2 GLU A 40 -14.417 -7.817 -2.747 1.00 0.47 H new ATOM 0 HG3 GLU A 40 -13.513 -9.318 -2.695 1.00 0.47 H new ATOM 527 N THR A 41 -12.397 -6.988 1.761 1.00 0.20 N ATOM 528 CA THR A 41 -11.389 -6.745 2.777 1.00 0.19 C ATOM 529 C THR A 41 -10.098 -7.475 2.422 1.00 0.18 C ATOM 530 O THR A 41 -10.057 -8.705 2.359 1.00 0.23 O ATOM 531 CB THR A 41 -11.879 -7.184 4.166 1.00 0.25 C ATOM 532 OG1 THR A 41 -13.114 -6.525 4.478 1.00 0.32 O ATOM 533 CG2 THR A 41 -10.846 -6.868 5.240 1.00 0.27 C ATOM 0 H THR A 41 -13.066 -7.722 1.996 1.00 0.20 H new ATOM 0 HA THR A 41 -11.197 -5.673 2.810 1.00 0.19 H new ATOM 0 HB THR A 41 -12.033 -8.263 4.145 1.00 0.25 H new ATOM 0 HG1 THR A 41 -13.422 -6.810 5.364 1.00 0.32 H new ATOM 0 HG21 THR A 41 -11.221 -7.190 6.211 1.00 0.27 H new ATOM 0 HG22 THR A 41 -9.917 -7.393 5.017 1.00 0.27 H new ATOM 0 HG23 THR A 41 -10.660 -5.794 5.261 1.00 0.27 H new ATOM 541 N VAL A 42 -9.055 -6.707 2.176 1.00 0.16 N ATOM 542 CA VAL A 42 -7.789 -7.246 1.726 1.00 0.16 C ATOM 543 C VAL A 42 -6.707 -6.960 2.761 1.00 0.16 C ATOM 544 O VAL A 42 -6.878 -6.109 3.628 1.00 0.23 O ATOM 545 CB VAL A 42 -7.382 -6.625 0.365 1.00 0.15 C ATOM 546 CG1 VAL A 42 -8.549 -6.672 -0.611 1.00 0.16 C ATOM 547 CG2 VAL A 42 -6.882 -5.194 0.535 1.00 0.15 C ATOM 0 H VAL A 42 -9.062 -5.693 2.283 1.00 0.16 H new ATOM 0 HA VAL A 42 -7.899 -8.323 1.600 1.00 0.16 H new ATOM 0 HB VAL A 42 -6.562 -7.217 -0.042 1.00 0.15 H new ATOM 0 HG11 VAL A 42 -8.246 -6.232 -1.561 1.00 0.16 H new ATOM 0 HG12 VAL A 42 -8.849 -7.708 -0.770 1.00 0.16 H new ATOM 0 HG13 VAL A 42 -9.388 -6.110 -0.202 1.00 0.16 H new ATOM 0 HG21 VAL A 42 -6.605 -4.788 -0.438 1.00 0.15 H new ATOM 0 HG22 VAL A 42 -7.671 -4.582 0.972 1.00 0.15 H new ATOM 0 HG23 VAL A 42 -6.012 -5.188 1.192 1.00 0.15 H new ATOM 557 N LYS A 43 -5.615 -7.687 2.695 1.00 0.13 N ATOM 558 CA LYS A 43 -4.467 -7.383 3.516 1.00 0.14 C ATOM 559 C LYS A 43 -3.423 -6.680 2.671 1.00 0.13 C ATOM 560 O LYS A 43 -2.966 -7.218 1.672 1.00 0.15 O ATOM 561 CB LYS A 43 -3.888 -8.650 4.146 1.00 0.17 C ATOM 562 CG LYS A 43 -2.625 -8.392 4.948 1.00 0.26 C ATOM 563 CD LYS A 43 -2.253 -9.565 5.842 1.00 0.34 C ATOM 564 CE LYS A 43 -1.928 -10.826 5.054 1.00 0.89 C ATOM 565 NZ LYS A 43 -3.147 -11.615 4.726 1.00 1.61 N ATOM 0 H LYS A 43 -5.498 -8.493 2.081 1.00 0.13 H new ATOM 0 HA LYS A 43 -4.777 -6.727 4.330 1.00 0.14 H new ATOM 0 HB2 LYS A 43 -4.638 -9.101 4.796 1.00 0.17 H new ATOM 0 HB3 LYS A 43 -3.671 -9.373 3.360 1.00 0.17 H new ATOM 0 HG2 LYS A 43 -1.801 -8.184 4.265 1.00 0.26 H new ATOM 0 HG3 LYS A 43 -2.763 -7.502 5.561 1.00 0.26 H new ATOM 0 HD2 LYS A 43 -1.393 -9.292 6.453 1.00 0.34 H new ATOM 0 HD3 LYS A 43 -3.077 -9.771 6.525 1.00 0.34 H new ATOM 0 HE2 LYS A 43 -1.415 -10.554 4.132 1.00 0.89 H new ATOM 0 HE3 LYS A 43 -1.241 -11.445 5.630 1.00 0.89 H new ATOM 0 HZ1 LYS A 43 -3.041 -12.584 5.087 1.00 1.61 H new ATOM 0 HZ2 LYS A 43 -3.977 -11.170 5.167 1.00 1.61 H new ATOM 0 HZ3 LYS A 43 -3.276 -11.642 3.694 1.00 1.61 H new ATOM 579 N VAL A 44 -3.033 -5.495 3.090 1.00 0.13 N ATOM 580 CA VAL A 44 -2.134 -4.664 2.309 1.00 0.14 C ATOM 581 C VAL A 44 -0.722 -4.763 2.842 1.00 0.15 C ATOM 582 O VAL A 44 -0.509 -5.169 3.982 1.00 0.19 O ATOM 583 CB VAL A 44 -2.570 -3.181 2.314 1.00 0.20 C ATOM 584 CG1 VAL A 44 -3.139 -2.790 0.964 1.00 0.35 C ATOM 585 CG2 VAL A 44 -3.597 -2.906 3.406 1.00 0.25 C ATOM 0 H VAL A 44 -3.326 -5.080 3.975 1.00 0.13 H new ATOM 0 HA VAL A 44 -2.171 -5.033 1.284 1.00 0.14 H new ATOM 0 HB VAL A 44 -1.684 -2.579 2.518 1.00 0.20 H new ATOM 0 HG11 VAL A 44 -3.441 -1.743 0.986 1.00 0.35 H new ATOM 0 HG12 VAL A 44 -2.381 -2.933 0.194 1.00 0.35 H new ATOM 0 HG13 VAL A 44 -4.005 -3.413 0.740 1.00 0.35 H new ATOM 0 HG21 VAL A 44 -3.882 -1.854 3.381 1.00 0.25 H new ATOM 0 HG22 VAL A 44 -4.479 -3.525 3.240 1.00 0.25 H new ATOM 0 HG23 VAL A 44 -3.166 -3.142 4.379 1.00 0.25 H new ATOM 595 N THR A 45 0.230 -4.419 1.993 1.00 0.15 N ATOM 596 CA THR A 45 1.639 -4.457 2.329 1.00 0.16 C ATOM 597 C THR A 45 2.428 -3.913 1.142 1.00 0.13 C ATOM 598 O THR A 45 1.843 -3.360 0.205 1.00 0.14 O ATOM 599 CB THR A 45 2.092 -5.901 2.664 1.00 0.19 C ATOM 600 OG1 THR A 45 3.409 -5.893 3.229 1.00 0.21 O ATOM 601 CG2 THR A 45 2.080 -6.790 1.427 1.00 0.20 C ATOM 0 H THR A 45 0.043 -4.102 1.042 1.00 0.15 H new ATOM 0 HA THR A 45 1.820 -3.846 3.213 1.00 0.16 H new ATOM 0 HB THR A 45 1.385 -6.305 3.388 1.00 0.19 H new ATOM 0 HG1 THR A 45 3.354 -5.679 4.184 1.00 0.21 H new ATOM 0 HG21 THR A 45 2.403 -7.795 1.698 1.00 0.20 H new ATOM 0 HG22 THR A 45 1.070 -6.831 1.018 1.00 0.20 H new ATOM 0 HG23 THR A 45 2.758 -6.381 0.678 1.00 0.20 H new ATOM 609 N CYS A 46 3.739 -4.056 1.166 1.00 0.15 N ATOM 610 CA CYS A 46 4.551 -3.625 0.051 1.00 0.14 C ATOM 611 C CYS A 46 5.676 -4.615 -0.199 1.00 0.15 C ATOM 612 O CYS A 46 5.847 -5.570 0.556 1.00 0.19 O ATOM 613 CB CYS A 46 5.116 -2.221 0.293 1.00 0.16 C ATOM 614 SG CYS A 46 6.271 -2.104 1.676 1.00 0.19 S ATOM 0 H CYS A 46 4.260 -4.465 1.942 1.00 0.15 H new ATOM 0 HA CYS A 46 3.917 -3.586 -0.835 1.00 0.14 H new ATOM 0 HB2 CYS A 46 5.620 -1.885 -0.613 1.00 0.16 H new ATOM 0 HB3 CYS A 46 4.287 -1.536 0.470 1.00 0.16 H new ATOM 0 HG CYS A 46 7.328 -2.817 1.420 1.00 0.19 H new ATOM 620 N SER A 47 6.420 -4.390 -1.267 1.00 0.19 N ATOM 621 CA SER A 47 7.584 -5.198 -1.592 1.00 0.27 C ATOM 622 C SER A 47 8.642 -5.088 -0.494 1.00 0.25 C ATOM 623 O SER A 47 8.615 -4.170 0.330 1.00 0.25 O ATOM 624 CB SER A 47 8.150 -4.744 -2.944 1.00 0.41 C ATOM 625 OG SER A 47 9.508 -5.114 -3.106 1.00 1.15 O ATOM 0 H SER A 47 6.235 -3.641 -1.935 1.00 0.19 H new ATOM 0 HA SER A 47 7.289 -6.245 -1.661 1.00 0.27 H new ATOM 0 HB2 SER A 47 7.558 -5.180 -3.749 1.00 0.41 H new ATOM 0 HB3 SER A 47 8.057 -3.661 -3.030 1.00 0.41 H new ATOM 0 HG SER A 47 9.829 -4.808 -3.980 1.00 1.15 H new ATOM 631 N LYS A 48 9.581 -6.027 -0.507 1.00 0.29 N ATOM 632 CA LYS A 48 10.643 -6.081 0.487 1.00 0.31 C ATOM 633 C LYS A 48 11.659 -4.980 0.233 1.00 0.27 C ATOM 634 O LYS A 48 12.484 -4.675 1.091 1.00 0.40 O ATOM 635 CB LYS A 48 11.342 -7.439 0.443 1.00 0.39 C ATOM 636 CG LYS A 48 10.445 -8.609 0.805 1.00 0.56 C ATOM 637 CD LYS A 48 11.103 -9.936 0.460 1.00 0.74 C ATOM 638 CE LYS A 48 12.425 -10.123 1.189 1.00 1.36 C ATOM 639 NZ LYS A 48 13.112 -11.378 0.784 1.00 2.10 N ATOM 0 H LYS A 48 9.627 -6.769 -1.205 1.00 0.29 H new ATOM 0 HA LYS A 48 10.199 -5.939 1.472 1.00 0.31 H new ATOM 0 HB2 LYS A 48 11.742 -7.598 -0.559 1.00 0.39 H new ATOM 0 HB3 LYS A 48 12.191 -7.421 1.126 1.00 0.39 H new ATOM 0 HG2 LYS A 48 10.217 -8.580 1.871 1.00 0.56 H new ATOM 0 HG3 LYS A 48 9.497 -8.521 0.274 1.00 0.56 H new ATOM 0 HD2 LYS A 48 10.429 -10.753 0.717 1.00 0.74 H new ATOM 0 HD3 LYS A 48 11.272 -9.988 -0.616 1.00 0.74 H new ATOM 0 HE2 LYS A 48 13.075 -9.272 0.985 1.00 1.36 H new ATOM 0 HE3 LYS A 48 12.247 -10.138 2.264 1.00 1.36 H new ATOM 0 HZ1 LYS A 48 14.008 -11.467 1.304 1.00 2.10 H new ATOM 0 HZ2 LYS A 48 12.503 -12.193 1.002 1.00 2.10 H new ATOM 0 HZ3 LYS A 48 13.306 -11.354 -0.238 1.00 2.10 H new ATOM 653 N ASP A 49 11.609 -4.407 -0.964 1.00 0.27 N ATOM 654 CA ASP A 49 12.468 -3.282 -1.314 1.00 0.27 C ATOM 655 C ASP A 49 11.662 -1.997 -1.293 1.00 0.25 C ATOM 656 O ASP A 49 12.181 -0.919 -1.582 1.00 0.28 O ATOM 657 CB ASP A 49 13.086 -3.458 -2.702 1.00 0.36 C ATOM 658 CG ASP A 49 13.872 -4.740 -2.841 1.00 0.48 C ATOM 659 OD1 ASP A 49 14.948 -4.854 -2.219 1.00 0.71 O ATOM 660 OD2 ASP A 49 13.426 -5.638 -3.587 1.00 0.56 O ATOM 0 H ASP A 49 10.981 -4.704 -1.711 1.00 0.27 H new ATOM 0 HA ASP A 49 13.273 -3.238 -0.580 1.00 0.27 H new ATOM 0 HB2 ASP A 49 12.294 -3.441 -3.451 1.00 0.36 H new ATOM 0 HB3 ASP A 49 13.741 -2.612 -2.912 1.00 0.36 H new ATOM 665 N GLY A 50 10.380 -2.127 -0.964 1.00 0.23 N ATOM 666 CA GLY A 50 9.492 -0.982 -0.925 1.00 0.25 C ATOM 667 C GLY A 50 9.156 -0.449 -2.307 1.00 0.28 C ATOM 668 O GLY A 50 8.496 0.571 -2.435 1.00 0.43 O ATOM 0 H GLY A 50 9.939 -3.014 -0.722 1.00 0.23 H new ATOM 0 HA2 GLY A 50 8.570 -1.260 -0.414 1.00 0.25 H new ATOM 0 HA3 GLY A 50 9.955 -0.189 -0.338 1.00 0.25 H new ATOM 672 N GLU A 51 9.588 -1.161 -3.340 1.00 0.25 N ATOM 673 CA GLU A 51 9.429 -0.696 -4.716 1.00 0.30 C ATOM 674 C GLU A 51 8.045 -1.004 -5.275 1.00 0.22 C ATOM 675 O GLU A 51 7.689 -0.550 -6.363 1.00 0.27 O ATOM 676 CB GLU A 51 10.497 -1.328 -5.604 1.00 0.40 C ATOM 677 CG GLU A 51 11.897 -0.813 -5.321 1.00 0.74 C ATOM 678 CD GLU A 51 12.931 -1.407 -6.249 1.00 1.30 C ATOM 679 OE1 GLU A 51 13.213 -0.798 -7.303 1.00 1.80 O ATOM 680 OE2 GLU A 51 13.480 -2.480 -5.922 1.00 1.99 O ATOM 0 H GLU A 51 10.052 -2.065 -3.253 1.00 0.25 H new ATOM 0 HA GLU A 51 9.544 0.388 -4.708 1.00 0.30 H new ATOM 0 HB2 GLU A 51 10.481 -2.409 -5.466 1.00 0.40 H new ATOM 0 HB3 GLU A 51 10.251 -1.136 -6.648 1.00 0.40 H new ATOM 0 HG2 GLU A 51 11.908 0.273 -5.418 1.00 0.74 H new ATOM 0 HG3 GLU A 51 12.164 -1.044 -4.290 1.00 0.74 H new ATOM 687 N GLU A 52 7.260 -1.760 -4.531 1.00 0.24 N ATOM 688 CA GLU A 52 5.935 -2.162 -4.983 1.00 0.21 C ATOM 689 C GLU A 52 4.954 -2.181 -3.832 1.00 0.18 C ATOM 690 O GLU A 52 5.331 -2.454 -2.700 1.00 0.21 O ATOM 691 CB GLU A 52 5.981 -3.555 -5.606 1.00 0.27 C ATOM 692 CG GLU A 52 6.450 -3.579 -7.048 1.00 0.56 C ATOM 693 CD GLU A 52 6.719 -4.983 -7.542 1.00 0.97 C ATOM 694 OE1 GLU A 52 7.880 -5.431 -7.482 1.00 1.29 O ATOM 695 OE2 GLU A 52 5.764 -5.653 -7.992 1.00 1.49 O ATOM 0 H GLU A 52 7.515 -2.111 -3.608 1.00 0.24 H new ATOM 0 HA GLU A 52 5.609 -1.435 -5.726 1.00 0.21 H new ATOM 0 HB2 GLU A 52 6.642 -4.185 -5.011 1.00 0.27 H new ATOM 0 HB3 GLU A 52 4.986 -3.997 -5.552 1.00 0.27 H new ATOM 0 HG2 GLU A 52 5.695 -3.112 -7.681 1.00 0.56 H new ATOM 0 HG3 GLU A 52 7.358 -2.983 -7.142 1.00 0.56 H new ATOM 702 N VAL A 53 3.707 -1.877 -4.128 1.00 0.16 N ATOM 703 CA VAL A 53 2.625 -2.091 -3.187 1.00 0.16 C ATOM 704 C VAL A 53 1.912 -3.367 -3.581 1.00 0.18 C ATOM 705 O VAL A 53 1.711 -3.618 -4.766 1.00 0.34 O ATOM 706 CB VAL A 53 1.612 -0.926 -3.175 1.00 0.17 C ATOM 707 CG1 VAL A 53 0.520 -1.170 -2.140 1.00 0.20 C ATOM 708 CG2 VAL A 53 2.314 0.397 -2.913 1.00 0.21 C ATOM 0 H VAL A 53 3.416 -1.478 -5.020 1.00 0.16 H new ATOM 0 HA VAL A 53 3.048 -2.157 -2.185 1.00 0.16 H new ATOM 0 HB VAL A 53 1.144 -0.874 -4.158 1.00 0.17 H new ATOM 0 HG11 VAL A 53 -0.183 -0.337 -2.149 1.00 0.20 H new ATOM 0 HG12 VAL A 53 -0.009 -2.093 -2.379 1.00 0.20 H new ATOM 0 HG13 VAL A 53 0.969 -1.255 -1.150 1.00 0.20 H new ATOM 0 HG21 VAL A 53 1.581 1.203 -2.909 1.00 0.21 H new ATOM 0 HG22 VAL A 53 2.815 0.358 -1.946 1.00 0.21 H new ATOM 0 HG23 VAL A 53 3.050 0.580 -3.696 1.00 0.21 H new ATOM 718 N GLN A 54 1.550 -4.180 -2.611 1.00 0.16 N ATOM 719 CA GLN A 54 0.916 -5.451 -2.901 1.00 0.16 C ATOM 720 C GLN A 54 -0.059 -5.819 -1.792 1.00 0.16 C ATOM 721 O GLN A 54 0.122 -5.425 -0.645 1.00 0.24 O ATOM 722 CB GLN A 54 1.988 -6.533 -3.095 1.00 0.29 C ATOM 723 CG GLN A 54 2.968 -6.640 -1.937 1.00 0.68 C ATOM 724 CD GLN A 54 4.177 -7.509 -2.246 1.00 1.17 C ATOM 725 OE1 GLN A 54 4.736 -8.146 -1.354 1.00 2.12 O ATOM 726 NE2 GLN A 54 4.603 -7.531 -3.503 1.00 0.88 N ATOM 0 H GLN A 54 1.683 -3.986 -1.618 1.00 0.16 H new ATOM 0 HA GLN A 54 0.345 -5.371 -3.826 1.00 0.16 H new ATOM 0 HB2 GLN A 54 1.498 -7.496 -3.234 1.00 0.29 H new ATOM 0 HB3 GLN A 54 2.542 -6.322 -4.010 1.00 0.29 H new ATOM 0 HG2 GLN A 54 3.308 -5.641 -1.665 1.00 0.68 H new ATOM 0 HG3 GLN A 54 2.450 -7.047 -1.069 1.00 0.68 H new ATOM 0 HE21 GLN A 54 4.114 -6.990 -4.217 1.00 0.88 H new ATOM 0 HE22 GLN A 54 5.419 -8.089 -3.755 1.00 0.88 H new ATOM 735 N TRP A 55 -1.104 -6.546 -2.139 1.00 0.14 N ATOM 736 CA TRP A 55 -2.118 -6.916 -1.165 1.00 0.16 C ATOM 737 C TRP A 55 -2.623 -8.330 -1.395 1.00 0.17 C ATOM 738 O TRP A 55 -2.442 -8.910 -2.467 1.00 0.18 O ATOM 739 CB TRP A 55 -3.295 -5.927 -1.183 1.00 0.18 C ATOM 740 CG TRP A 55 -3.760 -5.554 -2.556 1.00 0.18 C ATOM 741 CD1 TRP A 55 -4.586 -6.272 -3.372 1.00 0.22 C ATOM 742 CD2 TRP A 55 -3.434 -4.358 -3.266 1.00 0.19 C ATOM 743 NE1 TRP A 55 -4.782 -5.596 -4.552 1.00 0.23 N ATOM 744 CE2 TRP A 55 -4.086 -4.416 -4.508 1.00 0.21 C ATOM 745 CE3 TRP A 55 -2.649 -3.245 -2.969 1.00 0.24 C ATOM 746 CZ2 TRP A 55 -3.977 -3.400 -5.454 1.00 0.24 C ATOM 747 CZ3 TRP A 55 -2.541 -2.237 -3.902 1.00 0.29 C ATOM 748 CH2 TRP A 55 -3.203 -2.317 -5.134 1.00 0.28 C ATOM 0 H TRP A 55 -1.274 -6.892 -3.083 1.00 0.14 H new ATOM 0 HA TRP A 55 -1.646 -6.877 -0.183 1.00 0.16 H new ATOM 0 HB2 TRP A 55 -4.130 -6.363 -0.634 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -3.003 -5.021 -0.652 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -5.021 -7.230 -3.126 1.00 0.22 H new ATOM 0 HE1 TRP A 55 -5.352 -5.919 -5.333 1.00 0.23 H new ATOM 0 HE3 TRP A 55 -2.134 -3.174 -2.023 1.00 0.24 H new ATOM 0 HZ2 TRP A 55 -4.484 -3.464 -6.405 1.00 0.24 H new ATOM 0 HZ3 TRP A 55 -1.936 -1.371 -3.680 1.00 0.29 H new ATOM 0 HH2 TRP A 55 -3.101 -1.510 -5.844 1.00 0.28 H new ATOM 759 N PHE A 56 -3.249 -8.870 -0.366 1.00 0.21 N ATOM 760 CA PHE A 56 -3.802 -10.210 -0.388 1.00 0.23 C ATOM 761 C PHE A 56 -5.305 -10.127 -0.166 1.00 0.23 C ATOM 762 O PHE A 56 -5.760 -9.530 0.804 1.00 0.26 O ATOM 763 CB PHE A 56 -3.140 -11.051 0.708 1.00 0.26 C ATOM 764 CG PHE A 56 -1.639 -10.956 0.706 1.00 0.30 C ATOM 765 CD1 PHE A 56 -0.893 -11.669 -0.219 1.00 0.45 C ATOM 766 CD2 PHE A 56 -0.975 -10.165 1.626 1.00 0.37 C ATOM 767 CE1 PHE A 56 0.485 -11.592 -0.227 1.00 0.53 C ATOM 768 CE2 PHE A 56 0.406 -10.082 1.622 1.00 0.44 C ATOM 769 CZ PHE A 56 1.134 -10.767 0.708 1.00 0.48 C ATOM 0 H PHE A 56 -3.389 -8.384 0.520 1.00 0.21 H new ATOM 0 HA PHE A 56 -3.611 -10.682 -1.351 1.00 0.23 H new ATOM 0 HB2 PHE A 56 -3.516 -10.730 1.679 1.00 0.26 H new ATOM 0 HB3 PHE A 56 -3.431 -12.094 0.582 1.00 0.26 H new ATOM 0 HD1 PHE A 56 -1.396 -12.293 -0.943 1.00 0.45 H new ATOM 0 HD2 PHE A 56 -1.541 -9.606 2.356 1.00 0.37 H new ATOM 0 HE1 PHE A 56 1.059 -12.160 -0.944 1.00 0.53 H new ATOM 0 HE2 PHE A 56 0.908 -9.466 2.354 1.00 0.44 H new ATOM 0 HZ PHE A 56 2.210 -10.680 0.698 1.00 0.48 H new ATOM 779 N LYS A 57 -6.076 -10.716 -1.059 1.00 0.28 N ATOM 780 CA LYS A 57 -7.522 -10.535 -1.043 1.00 0.29 C ATOM 781 C LYS A 57 -8.210 -11.582 -0.180 1.00 0.35 C ATOM 782 O LYS A 57 -8.326 -12.748 -0.562 1.00 0.54 O ATOM 783 CB LYS A 57 -8.067 -10.581 -2.465 1.00 0.35 C ATOM 784 CG LYS A 57 -7.445 -9.534 -3.370 1.00 0.36 C ATOM 785 CD LYS A 57 -7.715 -9.828 -4.836 1.00 0.55 C ATOM 786 CE LYS A 57 -6.876 -8.938 -5.742 1.00 0.95 C ATOM 787 NZ LYS A 57 -7.121 -9.212 -7.182 1.00 1.20 N ATOM 0 H LYS A 57 -5.731 -11.322 -1.803 1.00 0.28 H new ATOM 0 HA LYS A 57 -7.733 -9.559 -0.606 1.00 0.29 H new ATOM 0 HB2 LYS A 57 -7.887 -11.570 -2.886 1.00 0.35 H new ATOM 0 HB3 LYS A 57 -9.147 -10.437 -2.440 1.00 0.35 H new ATOM 0 HG2 LYS A 57 -7.842 -8.551 -3.117 1.00 0.36 H new ATOM 0 HG3 LYS A 57 -6.369 -9.497 -3.198 1.00 0.36 H new ATOM 0 HD2 LYS A 57 -7.495 -10.875 -5.046 1.00 0.55 H new ATOM 0 HD3 LYS A 57 -8.773 -9.675 -5.051 1.00 0.55 H new ATOM 0 HE2 LYS A 57 -7.100 -7.893 -5.530 1.00 0.95 H new ATOM 0 HE3 LYS A 57 -5.820 -9.089 -5.520 1.00 0.95 H new ATOM 0 HZ1 LYS A 57 -6.271 -9.637 -7.604 1.00 1.20 H new ATOM 0 HZ2 LYS A 57 -7.921 -9.869 -7.279 1.00 1.20 H new ATOM 0 HZ3 LYS A 57 -7.342 -8.322 -7.672 1.00 1.20 H new ATOM 801 N GLY A 58 -8.662 -11.143 0.983 1.00 0.38 N ATOM 802 CA GLY A 58 -9.403 -12.003 1.887 1.00 0.48 C ATOM 803 C GLY A 58 -8.532 -13.024 2.587 1.00 0.73 C ATOM 804 O GLY A 58 -7.986 -12.757 3.661 1.00 1.35 O ATOM 0 H GLY A 58 -8.527 -10.191 1.323 1.00 0.38 H new ATOM 0 HA2 GLY A 58 -9.903 -11.388 2.635 1.00 0.48 H new ATOM 0 HA3 GLY A 58 -10.182 -12.522 1.328 1.00 0.48 H new ATOM 808 N LYS A 59 -8.395 -14.188 1.968 1.00 0.99 N ATOM 809 CA LYS A 59 -7.661 -15.302 2.553 1.00 1.48 C ATOM 810 C LYS A 59 -6.177 -14.975 2.717 1.00 1.81 C ATOM 811 O LYS A 59 -5.659 -14.033 2.112 1.00 2.63 O ATOM 812 CB LYS A 59 -7.829 -16.555 1.689 1.00 1.89 C ATOM 813 CG LYS A 59 -7.359 -16.374 0.253 1.00 2.69 C ATOM 814 CD LYS A 59 -7.499 -17.658 -0.554 1.00 3.35 C ATOM 815 CE LYS A 59 -8.952 -18.085 -0.699 1.00 4.22 C ATOM 816 NZ LYS A 59 -9.766 -17.065 -1.410 1.00 4.98 N ATOM 0 H LYS A 59 -8.788 -14.387 1.048 1.00 0.99 H new ATOM 0 HA LYS A 59 -8.074 -15.487 3.545 1.00 1.48 H new ATOM 0 HB2 LYS A 59 -7.274 -17.376 2.143 1.00 1.89 H new ATOM 0 HB3 LYS A 59 -8.880 -16.845 1.685 1.00 1.89 H new ATOM 0 HG2 LYS A 59 -7.938 -15.581 -0.222 1.00 2.69 H new ATOM 0 HG3 LYS A 59 -6.317 -16.054 0.249 1.00 2.69 H new ATOM 0 HD2 LYS A 59 -7.063 -17.514 -1.543 1.00 3.35 H new ATOM 0 HD3 LYS A 59 -6.934 -18.454 -0.069 1.00 3.35 H new ATOM 0 HE2 LYS A 59 -9.000 -19.029 -1.242 1.00 4.22 H new ATOM 0 HE3 LYS A 59 -9.377 -18.264 0.289 1.00 4.22 H new ATOM 0 HZ1 LYS A 59 -10.681 -17.479 -1.681 1.00 4.98 H new ATOM 0 HZ2 LYS A 59 -9.926 -16.251 -0.784 1.00 4.98 H new ATOM 0 HZ3 LYS A 59 -9.261 -16.751 -2.263 1.00 4.98 H new ATOM 830 N SER A 60 -5.508 -15.759 3.549 1.00 1.73 N ATOM 831 CA SER A 60 -4.097 -15.561 3.842 1.00 2.21 C ATOM 832 C SER A 60 -3.213 -16.128 2.735 1.00 1.61 C ATOM 833 O SER A 60 -2.425 -17.048 2.963 1.00 2.01 O ATOM 834 CB SER A 60 -3.751 -16.221 5.178 1.00 3.22 C ATOM 835 OG SER A 60 -4.550 -15.699 6.230 1.00 3.89 O ATOM 0 H SER A 60 -5.927 -16.549 4.039 1.00 1.73 H new ATOM 0 HA SER A 60 -3.909 -14.489 3.903 1.00 2.21 H new ATOM 0 HB2 SER A 60 -3.901 -17.298 5.104 1.00 3.22 H new ATOM 0 HB3 SER A 60 -2.697 -16.060 5.404 1.00 3.22 H new ATOM 0 HG SER A 60 -4.310 -16.139 7.072 1.00 3.89 H new ATOM 841 N THR A 61 -3.350 -15.576 1.539 1.00 1.47 N ATOM 842 CA THR A 61 -2.525 -15.973 0.413 1.00 1.55 C ATOM 843 C THR A 61 -1.078 -15.554 0.652 1.00 1.39 C ATOM 844 O THR A 61 -0.786 -14.375 0.824 1.00 1.72 O ATOM 845 CB THR A 61 -3.052 -15.343 -0.890 1.00 2.37 C ATOM 846 OG1 THR A 61 -4.446 -15.643 -1.032 1.00 2.95 O ATOM 847 CG2 THR A 61 -2.298 -15.866 -2.102 1.00 2.95 C ATOM 0 H THR A 61 -4.030 -14.847 1.325 1.00 1.47 H new ATOM 0 HA THR A 61 -2.568 -17.058 0.315 1.00 1.55 H new ATOM 0 HB THR A 61 -2.901 -14.265 -0.834 1.00 2.37 H new ATOM 0 HG1 THR A 61 -4.784 -15.242 -1.860 1.00 2.95 H new ATOM 0 HG21 THR A 61 -2.694 -15.402 -3.005 1.00 2.95 H new ATOM 0 HG22 THR A 61 -1.240 -15.624 -2.004 1.00 2.95 H new ATOM 0 HG23 THR A 61 -2.419 -16.947 -2.167 1.00 2.95 H new ATOM 855 N ALA A 62 -0.177 -16.520 0.703 1.00 1.24 N ATOM 856 CA ALA A 62 1.212 -16.239 0.994 1.00 1.29 C ATOM 857 C ALA A 62 2.116 -17.220 0.271 1.00 1.32 C ATOM 858 O ALA A 62 1.701 -18.328 -0.061 1.00 1.69 O ATOM 859 CB ALA A 62 1.441 -16.296 2.496 1.00 1.53 C ATOM 0 H ALA A 62 -0.386 -17.506 0.546 1.00 1.24 H new ATOM 0 HA ALA A 62 1.456 -15.237 0.640 1.00 1.29 H new ATOM 0 HB1 ALA A 62 2.488 -16.084 2.713 1.00 1.53 H new ATOM 0 HB2 ALA A 62 0.811 -15.555 2.988 1.00 1.53 H new ATOM 0 HB3 ALA A 62 1.188 -17.290 2.865 1.00 1.53 H new ATOM 865 N GLY A 63 3.340 -16.788 -0.002 1.00 1.20 N ATOM 866 CA GLY A 63 4.321 -17.660 -0.612 1.00 1.25 C ATOM 867 C GLY A 63 4.888 -18.650 0.383 1.00 1.40 C ATOM 868 O GLY A 63 4.141 -19.308 1.107 1.00 1.99 O ATOM 0 H GLY A 63 3.671 -15.843 0.190 1.00 1.20 H new ATOM 0 HA2 GLY A 63 3.863 -18.200 -1.441 1.00 1.25 H new ATOM 0 HA3 GLY A 63 5.130 -17.061 -1.030 1.00 1.25 H new ATOM 872 N ALA A 64 6.205 -18.737 0.439 1.00 1.55 N ATOM 873 CA ALA A 64 6.871 -19.620 1.383 1.00 1.66 C ATOM 874 C ALA A 64 6.880 -19.008 2.779 1.00 1.67 C ATOM 875 O ALA A 64 7.928 -18.594 3.271 1.00 1.74 O ATOM 876 CB ALA A 64 8.288 -19.919 0.913 1.00 1.76 C ATOM 0 H ALA A 64 6.837 -18.206 -0.160 1.00 1.55 H new ATOM 0 HA ALA A 64 6.318 -20.558 1.432 1.00 1.66 H new ATOM 0 HB1 ALA A 64 8.776 -20.581 1.628 1.00 1.76 H new ATOM 0 HB2 ALA A 64 8.253 -20.402 -0.064 1.00 1.76 H new ATOM 0 HB3 ALA A 64 8.850 -18.988 0.838 1.00 1.76 H new ATOM 882 N GLN A 65 5.689 -18.918 3.382 1.00 1.68 N ATOM 883 CA GLN A 65 5.507 -18.418 4.754 1.00 1.79 C ATOM 884 C GLN A 65 5.723 -16.906 4.855 1.00 1.70 C ATOM 885 O GLN A 65 4.942 -16.206 5.497 1.00 1.80 O ATOM 886 CB GLN A 65 6.420 -19.151 5.745 1.00 2.01 C ATOM 887 CG GLN A 65 6.111 -20.634 5.887 1.00 2.23 C ATOM 888 CD GLN A 65 4.658 -20.896 6.236 1.00 2.86 C ATOM 889 OE1 GLN A 65 4.279 -20.918 7.407 1.00 3.24 O ATOM 890 NE2 GLN A 65 3.837 -21.120 5.222 1.00 3.33 N ATOM 0 H GLN A 65 4.816 -19.192 2.930 1.00 1.68 H new ATOM 0 HA GLN A 65 4.470 -18.623 5.020 1.00 1.79 H new ATOM 0 HB2 GLN A 65 7.455 -19.035 5.424 1.00 2.01 H new ATOM 0 HB3 GLN A 65 6.334 -18.677 6.723 1.00 2.01 H new ATOM 0 HG2 GLN A 65 6.354 -21.143 4.954 1.00 2.23 H new ATOM 0 HG3 GLN A 65 6.749 -21.062 6.660 1.00 2.23 H new ATOM 0 HE21 GLN A 65 4.189 -21.093 4.265 1.00 3.33 H new ATOM 0 HE22 GLN A 65 2.852 -21.320 5.398 1.00 3.33 H new ATOM 899 N ASP A 66 6.765 -16.401 4.205 1.00 1.62 N ATOM 900 CA ASP A 66 7.082 -14.973 4.245 1.00 1.65 C ATOM 901 C ASP A 66 6.156 -14.162 3.340 1.00 1.49 C ATOM 902 O ASP A 66 6.331 -12.956 3.171 1.00 1.59 O ATOM 903 CB ASP A 66 8.542 -14.728 3.856 1.00 1.78 C ATOM 904 CG ASP A 66 9.502 -14.942 5.009 1.00 2.25 C ATOM 905 OD1 ASP A 66 9.839 -13.961 5.704 1.00 2.32 O ATOM 906 OD2 ASP A 66 9.918 -16.102 5.232 1.00 2.86 O ATOM 0 H ASP A 66 7.408 -16.958 3.642 1.00 1.62 H new ATOM 0 HA ASP A 66 6.928 -14.638 5.271 1.00 1.65 H new ATOM 0 HB2 ASP A 66 8.811 -15.394 3.037 1.00 1.78 H new ATOM 0 HB3 ASP A 66 8.648 -13.708 3.486 1.00 1.78 H new ATOM 911 N ARG A 67 5.172 -14.854 2.765 1.00 1.32 N ATOM 912 CA ARG A 67 4.103 -14.243 1.972 1.00 1.23 C ATOM 913 C ARG A 67 4.625 -13.552 0.715 1.00 1.18 C ATOM 914 O ARG A 67 4.346 -12.380 0.488 1.00 1.31 O ATOM 915 CB ARG A 67 3.290 -13.240 2.803 1.00 1.40 C ATOM 916 CG ARG A 67 2.997 -13.689 4.224 1.00 1.60 C ATOM 917 CD ARG A 67 2.206 -12.637 4.978 1.00 1.84 C ATOM 918 NE ARG A 67 2.027 -12.992 6.381 1.00 2.26 N ATOM 919 CZ ARG A 67 1.871 -12.105 7.359 1.00 2.61 C ATOM 920 NH1 ARG A 67 1.836 -10.805 7.087 1.00 2.62 N ATOM 921 NH2 ARG A 67 1.739 -12.519 8.613 1.00 3.34 N ATOM 0 H ARG A 67 5.093 -15.868 2.837 1.00 1.32 H new ATOM 0 HA ARG A 67 3.456 -15.064 1.663 1.00 1.23 H new ATOM 0 HB2 ARG A 67 3.831 -12.294 2.839 1.00 1.40 H new ATOM 0 HB3 ARG A 67 2.345 -13.048 2.294 1.00 1.40 H new ATOM 0 HG2 ARG A 67 2.438 -14.624 4.205 1.00 1.60 H new ATOM 0 HG3 ARG A 67 3.933 -13.888 4.746 1.00 1.60 H new ATOM 0 HD2 ARG A 67 2.720 -11.678 4.909 1.00 1.84 H new ATOM 0 HD3 ARG A 67 1.231 -12.511 4.508 1.00 1.84 H new ATOM 0 HE ARG A 67 2.021 -13.982 6.627 1.00 2.26 H new ATOM 0 HH11 ARG A 67 1.929 -10.483 6.124 1.00 2.62 H new ATOM 0 HH12 ARG A 67 1.716 -10.129 7.841 1.00 2.62 H new ATOM 0 HH21 ARG A 67 1.757 -13.516 8.825 1.00 3.34 H new ATOM 0 HH22 ARG A 67 1.619 -11.840 9.364 1.00 3.34 H new ATOM 935 N LYS A 68 5.355 -14.280 -0.121 1.00 1.12 N ATOM 936 CA LYS A 68 5.790 -13.729 -1.402 1.00 1.16 C ATOM 937 C LYS A 68 4.899 -14.243 -2.525 1.00 0.99 C ATOM 938 O LYS A 68 5.375 -14.807 -3.508 1.00 1.10 O ATOM 939 CB LYS A 68 7.257 -14.050 -1.704 1.00 1.39 C ATOM 940 CG LYS A 68 8.250 -13.221 -0.903 1.00 1.77 C ATOM 941 CD LYS A 68 8.583 -13.857 0.437 1.00 2.01 C ATOM 942 CE LYS A 68 9.415 -15.121 0.271 1.00 2.02 C ATOM 943 NZ LYS A 68 10.728 -14.852 -0.376 1.00 2.24 N ATOM 0 H LYS A 68 5.655 -15.238 0.059 1.00 1.12 H new ATOM 0 HA LYS A 68 5.702 -12.645 -1.334 1.00 1.16 H new ATOM 0 HB2 LYS A 68 7.436 -15.106 -1.503 1.00 1.39 H new ATOM 0 HB3 LYS A 68 7.441 -13.892 -2.767 1.00 1.39 H new ATOM 0 HG2 LYS A 68 9.166 -13.096 -1.481 1.00 1.77 H new ATOM 0 HG3 LYS A 68 7.839 -12.225 -0.738 1.00 1.77 H new ATOM 0 HD2 LYS A 68 9.127 -13.142 1.054 1.00 2.01 H new ATOM 0 HD3 LYS A 68 7.660 -14.096 0.965 1.00 2.01 H new ATOM 0 HE2 LYS A 68 9.580 -15.575 1.248 1.00 2.02 H new ATOM 0 HE3 LYS A 68 8.859 -15.843 -0.327 1.00 2.02 H new ATOM 0 HZ1 LYS A 68 11.367 -15.656 -0.213 1.00 2.24 H new ATOM 0 HZ2 LYS A 68 10.591 -14.721 -1.399 1.00 2.24 H new ATOM 0 HZ3 LYS A 68 11.145 -13.990 0.031 1.00 2.24 H new ATOM 957 N LYS A 69 3.599 -14.063 -2.353 1.00 0.90 N ATOM 958 CA LYS A 69 2.626 -14.450 -3.359 1.00 0.80 C ATOM 959 C LYS A 69 1.390 -13.566 -3.229 1.00 0.61 C ATOM 960 O LYS A 69 0.361 -13.989 -2.702 1.00 0.61 O ATOM 961 CB LYS A 69 2.257 -15.923 -3.189 1.00 0.99 C ATOM 962 CG LYS A 69 1.461 -16.499 -4.352 1.00 1.06 C ATOM 963 CD LYS A 69 1.177 -17.983 -4.167 1.00 1.68 C ATOM 964 CE LYS A 69 0.263 -18.238 -2.976 1.00 2.17 C ATOM 965 NZ LYS A 69 -0.060 -19.681 -2.819 1.00 2.92 N ATOM 0 H LYS A 69 3.191 -13.646 -1.516 1.00 0.90 H new ATOM 0 HA LYS A 69 3.053 -14.318 -4.353 1.00 0.80 H new ATOM 0 HB2 LYS A 69 3.171 -16.504 -3.064 1.00 0.99 H new ATOM 0 HB3 LYS A 69 1.678 -16.039 -2.273 1.00 0.99 H new ATOM 0 HG2 LYS A 69 0.519 -15.959 -4.450 1.00 1.06 H new ATOM 0 HG3 LYS A 69 2.013 -16.348 -5.280 1.00 1.06 H new ATOM 0 HD2 LYS A 69 0.716 -18.381 -5.071 1.00 1.68 H new ATOM 0 HD3 LYS A 69 2.116 -18.518 -4.026 1.00 1.68 H new ATOM 0 HE2 LYS A 69 0.742 -17.873 -2.067 1.00 2.17 H new ATOM 0 HE3 LYS A 69 -0.660 -17.672 -3.100 1.00 2.17 H new ATOM 0 HZ1 LYS A 69 -0.684 -19.810 -1.997 1.00 2.92 H new ATOM 0 HZ2 LYS A 69 -0.540 -20.024 -3.675 1.00 2.92 H new ATOM 0 HZ3 LYS A 69 0.818 -20.220 -2.675 1.00 2.92 H new ATOM 979 N PRO A 70 1.493 -12.306 -3.680 1.00 0.51 N ATOM 980 CA PRO A 70 0.418 -11.321 -3.550 1.00 0.39 C ATOM 981 C PRO A 70 -0.765 -11.603 -4.465 1.00 0.32 C ATOM 982 O PRO A 70 -0.635 -12.267 -5.492 1.00 0.40 O ATOM 983 CB PRO A 70 1.080 -9.996 -3.945 1.00 0.40 C ATOM 984 CG PRO A 70 2.544 -10.278 -4.005 1.00 0.53 C ATOM 985 CD PRO A 70 2.667 -11.731 -4.345 1.00 0.59 C ATOM 0 HA PRO A 70 0.004 -11.328 -2.542 1.00 0.39 H new ATOM 0 HB2 PRO A 70 0.709 -9.645 -4.908 1.00 0.40 H new ATOM 0 HB3 PRO A 70 0.861 -9.216 -3.216 1.00 0.40 H new ATOM 0 HG2 PRO A 70 3.031 -9.658 -4.758 1.00 0.53 H new ATOM 0 HG3 PRO A 70 3.024 -10.058 -3.051 1.00 0.53 H new ATOM 0 HD2 PRO A 70 2.648 -11.900 -5.422 1.00 0.59 H new ATOM 0 HD3 PRO A 70 3.597 -12.159 -3.971 1.00 0.59 H new ATOM 993 N SER A 71 -1.918 -11.083 -4.076 1.00 0.28 N ATOM 994 CA SER A 71 -3.141 -11.234 -4.847 1.00 0.31 C ATOM 995 C SER A 71 -3.303 -10.066 -5.818 1.00 0.28 C ATOM 996 O SER A 71 -4.175 -10.077 -6.684 1.00 0.40 O ATOM 997 CB SER A 71 -4.332 -11.289 -3.893 1.00 0.41 C ATOM 998 OG SER A 71 -4.135 -12.262 -2.883 1.00 1.02 O ATOM 0 H SER A 71 -2.032 -10.545 -3.217 1.00 0.28 H new ATOM 0 HA SER A 71 -3.091 -12.158 -5.423 1.00 0.31 H new ATOM 0 HB2 SER A 71 -4.480 -10.311 -3.435 1.00 0.41 H new ATOM 0 HB3 SER A 71 -5.239 -11.520 -4.452 1.00 0.41 H new ATOM 0 HG SER A 71 -4.925 -12.838 -2.826 1.00 1.02 H new ATOM 1004 N GLY A 72 -2.462 -9.058 -5.649 1.00 0.24 N ATOM 1005 CA GLY A 72 -2.508 -7.883 -6.493 1.00 0.23 C ATOM 1006 C GLY A 72 -1.482 -6.862 -6.059 1.00 0.22 C ATOM 1007 O GLY A 72 -0.763 -7.089 -5.082 1.00 0.26 O ATOM 0 H GLY A 72 -1.738 -9.034 -4.931 1.00 0.24 H new ATOM 0 HA2 GLY A 72 -2.326 -8.168 -7.529 1.00 0.23 H new ATOM 0 HA3 GLY A 72 -3.504 -7.442 -6.454 1.00 0.23 H new ATOM 1011 N GLY A 73 -1.403 -5.745 -6.767 1.00 0.24 N ATOM 1012 CA GLY A 73 -0.447 -4.719 -6.411 1.00 0.29 C ATOM 1013 C GLY A 73 0.064 -3.948 -7.610 1.00 0.27 C ATOM 1014 O GLY A 73 -0.368 -4.186 -8.742 1.00 0.40 O ATOM 0 H GLY A 73 -1.982 -5.532 -7.579 1.00 0.24 H new ATOM 0 HA2 GLY A 73 -0.911 -4.025 -5.710 1.00 0.29 H new ATOM 0 HA3 GLY A 73 0.396 -5.178 -5.895 1.00 0.29 H new ATOM 1018 N PHE A 74 1.004 -3.041 -7.364 1.00 0.20 N ATOM 1019 CA PHE A 74 1.531 -2.163 -8.401 1.00 0.19 C ATOM 1020 C PHE A 74 2.801 -1.463 -7.911 1.00 0.19 C ATOM 1021 O PHE A 74 3.021 -1.346 -6.703 1.00 0.19 O ATOM 1022 CB PHE A 74 0.467 -1.134 -8.822 1.00 0.18 C ATOM 1023 CG PHE A 74 0.083 -0.133 -7.760 1.00 0.17 C ATOM 1024 CD1 PHE A 74 -0.450 -0.535 -6.545 1.00 0.20 C ATOM 1025 CD2 PHE A 74 0.236 1.219 -7.996 1.00 0.17 C ATOM 1026 CE1 PHE A 74 -0.816 0.397 -5.592 1.00 0.21 C ATOM 1027 CE2 PHE A 74 -0.128 2.152 -7.051 1.00 0.18 C ATOM 1028 CZ PHE A 74 -0.654 1.741 -5.846 1.00 0.18 C ATOM 0 H PHE A 74 1.420 -2.895 -6.444 1.00 0.20 H new ATOM 0 HA PHE A 74 1.788 -2.765 -9.273 1.00 0.19 H new ATOM 0 HB2 PHE A 74 0.834 -0.592 -9.693 1.00 0.18 H new ATOM 0 HB3 PHE A 74 -0.429 -1.670 -9.134 1.00 0.18 H new ATOM 0 HD1 PHE A 74 -0.581 -1.587 -6.341 1.00 0.20 H new ATOM 0 HD2 PHE A 74 0.648 1.550 -8.938 1.00 0.17 H new ATOM 0 HE1 PHE A 74 -1.229 0.071 -4.649 1.00 0.21 H new ATOM 0 HE2 PHE A 74 -0.001 3.205 -7.254 1.00 0.18 H new ATOM 0 HZ PHE A 74 -0.939 2.471 -5.102 1.00 0.18 H new ATOM 1038 N PRO A 75 3.661 -1.004 -8.839 1.00 0.20 N ATOM 1039 CA PRO A 75 4.936 -0.360 -8.497 1.00 0.20 C ATOM 1040 C PRO A 75 4.748 0.995 -7.820 1.00 0.19 C ATOM 1041 O PRO A 75 3.930 1.814 -8.244 1.00 0.20 O ATOM 1042 CB PRO A 75 5.635 -0.176 -9.852 1.00 0.23 C ATOM 1043 CG PRO A 75 4.869 -1.012 -10.819 1.00 0.25 C ATOM 1044 CD PRO A 75 3.467 -1.075 -10.294 1.00 0.22 C ATOM 0 HA PRO A 75 5.503 -0.962 -7.787 1.00 0.20 H new ATOM 0 HB2 PRO A 75 5.634 0.871 -10.154 1.00 0.23 H new ATOM 0 HB3 PRO A 75 6.677 -0.492 -9.801 1.00 0.23 H new ATOM 0 HG2 PRO A 75 4.892 -0.574 -11.817 1.00 0.25 H new ATOM 0 HG3 PRO A 75 5.300 -2.010 -10.899 1.00 0.25 H new ATOM 0 HD2 PRO A 75 2.860 -0.248 -10.662 1.00 0.22 H new ATOM 0 HD3 PRO A 75 2.965 -1.996 -10.591 1.00 0.22 H new ATOM 1052 N VAL A 76 5.543 1.224 -6.779 1.00 0.19 N ATOM 1053 CA VAL A 76 5.468 2.442 -5.980 1.00 0.18 C ATOM 1054 C VAL A 76 5.890 3.667 -6.785 1.00 0.19 C ATOM 1055 O VAL A 76 5.338 4.754 -6.625 1.00 0.19 O ATOM 1056 CB VAL A 76 6.349 2.319 -4.719 1.00 0.21 C ATOM 1057 CG1 VAL A 76 6.485 3.655 -4.011 1.00 0.30 C ATOM 1058 CG2 VAL A 76 5.769 1.282 -3.775 1.00 0.25 C ATOM 0 H VAL A 76 6.259 0.568 -6.465 1.00 0.19 H new ATOM 0 HA VAL A 76 4.428 2.571 -5.681 1.00 0.18 H new ATOM 0 HB VAL A 76 7.344 2.001 -5.031 1.00 0.21 H new ATOM 0 HG11 VAL A 76 7.111 3.536 -3.127 1.00 0.30 H new ATOM 0 HG12 VAL A 76 6.943 4.379 -4.685 1.00 0.30 H new ATOM 0 HG13 VAL A 76 5.499 4.010 -3.712 1.00 0.30 H new ATOM 0 HG21 VAL A 76 6.399 1.204 -2.889 1.00 0.25 H new ATOM 0 HG22 VAL A 76 4.763 1.581 -3.480 1.00 0.25 H new ATOM 0 HG23 VAL A 76 5.728 0.315 -4.277 1.00 0.25 H new ATOM 1068 N ASP A 77 6.859 3.483 -7.665 1.00 0.21 N ATOM 1069 CA ASP A 77 7.343 4.572 -8.506 1.00 0.24 C ATOM 1070 C ASP A 77 6.278 4.983 -9.528 1.00 0.23 C ATOM 1071 O ASP A 77 6.314 6.084 -10.079 1.00 0.30 O ATOM 1072 CB ASP A 77 8.638 4.140 -9.208 1.00 0.31 C ATOM 1073 CG ASP A 77 9.078 5.088 -10.308 1.00 0.73 C ATOM 1074 OD1 ASP A 77 9.332 6.274 -10.006 1.00 0.77 O ATOM 1075 OD2 ASP A 77 9.169 4.661 -11.477 1.00 1.29 O ATOM 0 H ASP A 77 7.328 2.590 -7.818 1.00 0.21 H new ATOM 0 HA ASP A 77 7.552 5.440 -7.880 1.00 0.24 H new ATOM 0 HB2 ASP A 77 9.434 4.062 -8.468 1.00 0.31 H new ATOM 0 HB3 ASP A 77 8.497 3.146 -9.632 1.00 0.31 H new ATOM 1080 N LYS A 78 5.306 4.104 -9.743 1.00 0.19 N ATOM 1081 CA LYS A 78 4.269 4.329 -10.744 1.00 0.20 C ATOM 1082 C LYS A 78 3.010 4.945 -10.134 1.00 0.17 C ATOM 1083 O LYS A 78 2.071 5.294 -10.851 1.00 0.18 O ATOM 1084 CB LYS A 78 3.926 3.019 -11.461 1.00 0.22 C ATOM 1085 CG LYS A 78 4.821 2.716 -12.659 1.00 0.28 C ATOM 1086 CD LYS A 78 6.294 2.689 -12.285 1.00 0.34 C ATOM 1087 CE LYS A 78 7.182 2.601 -13.513 1.00 0.47 C ATOM 1088 NZ LYS A 78 8.625 2.619 -13.153 1.00 1.54 N ATOM 0 H LYS A 78 5.214 3.224 -9.235 1.00 0.19 H new ATOM 0 HA LYS A 78 4.664 5.041 -11.469 1.00 0.20 H new ATOM 0 HB2 LYS A 78 3.999 2.197 -10.749 1.00 0.22 H new ATOM 0 HB3 LYS A 78 2.889 3.060 -11.796 1.00 0.22 H new ATOM 0 HG2 LYS A 78 4.539 1.754 -13.086 1.00 0.28 H new ATOM 0 HG3 LYS A 78 4.658 3.468 -13.431 1.00 0.28 H new ATOM 0 HD2 LYS A 78 6.543 3.587 -11.719 1.00 0.34 H new ATOM 0 HD3 LYS A 78 6.489 1.837 -11.633 1.00 0.34 H new ATOM 0 HE2 LYS A 78 6.955 1.686 -14.061 1.00 0.47 H new ATOM 0 HE3 LYS A 78 6.963 3.435 -14.180 1.00 0.47 H new ATOM 0 HZ1 LYS A 78 9.198 2.455 -14.006 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 8.869 3.543 -12.744 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 8.819 1.871 -12.457 1.00 1.54 H new ATOM 1102 N ILE A 79 2.977 5.077 -8.814 1.00 0.18 N ATOM 1103 CA ILE A 79 1.859 5.741 -8.160 1.00 0.16 C ATOM 1104 C ILE A 79 1.816 7.203 -8.589 1.00 0.18 C ATOM 1105 O ILE A 79 2.748 7.963 -8.322 1.00 0.26 O ATOM 1106 CB ILE A 79 1.955 5.687 -6.622 1.00 0.17 C ATOM 1107 CG1 ILE A 79 2.330 4.283 -6.142 1.00 0.18 C ATOM 1108 CG2 ILE A 79 0.632 6.123 -6.009 1.00 0.18 C ATOM 1109 CD1 ILE A 79 2.370 4.146 -4.635 1.00 0.19 C ATOM 0 H ILE A 79 3.702 4.737 -8.182 1.00 0.18 H new ATOM 0 HA ILE A 79 0.954 5.213 -8.461 1.00 0.16 H new ATOM 0 HB ILE A 79 2.741 6.370 -6.300 1.00 0.17 H new ATOM 0 HG12 ILE A 79 1.613 3.567 -6.544 1.00 0.18 H new ATOM 0 HG13 ILE A 79 3.306 4.018 -6.548 1.00 0.18 H new ATOM 0 HG21 ILE A 79 0.704 6.083 -4.922 1.00 0.18 H new ATOM 0 HG22 ILE A 79 0.405 7.143 -6.321 1.00 0.18 H new ATOM 0 HG23 ILE A 79 -0.162 5.456 -6.345 1.00 0.18 H new ATOM 0 HD11 ILE A 79 2.643 3.125 -4.370 1.00 0.19 H new ATOM 0 HD12 ILE A 79 3.108 4.836 -4.226 1.00 0.19 H new ATOM 0 HD13 ILE A 79 1.388 4.378 -4.222 1.00 0.19 H new ATOM 1121 N THR A 80 0.748 7.595 -9.264 1.00 0.15 N ATOM 1122 CA THR A 80 0.655 8.946 -9.780 1.00 0.18 C ATOM 1123 C THR A 80 0.174 9.909 -8.700 1.00 0.21 C ATOM 1124 O THR A 80 0.590 11.067 -8.668 1.00 0.28 O ATOM 1125 CB THR A 80 -0.252 9.033 -11.031 1.00 0.20 C ATOM 1126 OG1 THR A 80 -0.279 10.371 -11.542 1.00 0.27 O ATOM 1127 CG2 THR A 80 -1.672 8.580 -10.738 1.00 0.18 C ATOM 0 H THR A 80 -0.058 7.002 -9.465 1.00 0.15 H new ATOM 0 HA THR A 80 1.659 9.239 -10.087 1.00 0.18 H new ATOM 0 HB THR A 80 0.174 8.362 -11.777 1.00 0.20 H new ATOM 0 HG1 THR A 80 -0.856 10.407 -12.333 1.00 0.27 H new ATOM 0 HG21 THR A 80 -2.273 8.658 -11.644 1.00 0.18 H new ATOM 0 HG22 THR A 80 -1.661 7.544 -10.398 1.00 0.18 H new ATOM 0 HG23 THR A 80 -2.103 9.212 -9.962 1.00 0.18 H new ATOM 1135 N SER A 81 -0.689 9.430 -7.805 1.00 0.18 N ATOM 1136 CA SER A 81 -1.209 10.265 -6.730 1.00 0.21 C ATOM 1137 C SER A 81 -1.759 9.423 -5.581 1.00 0.17 C ATOM 1138 O SER A 81 -2.527 8.483 -5.797 1.00 0.19 O ATOM 1139 CB SER A 81 -2.313 11.189 -7.257 1.00 0.30 C ATOM 1140 OG SER A 81 -1.821 12.062 -8.260 1.00 0.88 O ATOM 0 H SER A 81 -1.040 8.472 -7.805 1.00 0.18 H new ATOM 0 HA SER A 81 -0.380 10.863 -6.353 1.00 0.21 H new ATOM 0 HB2 SER A 81 -3.129 10.590 -7.662 1.00 0.30 H new ATOM 0 HB3 SER A 81 -2.725 11.773 -6.434 1.00 0.30 H new ATOM 0 HG SER A 81 -0.841 12.064 -8.240 1.00 0.88 H new ATOM 1146 N VAL A 82 -1.354 9.766 -4.367 1.00 0.20 N ATOM 1147 CA VAL A 82 -1.924 9.186 -3.164 1.00 0.21 C ATOM 1148 C VAL A 82 -2.736 10.254 -2.454 1.00 0.21 C ATOM 1149 O VAL A 82 -2.188 11.213 -1.907 1.00 0.24 O ATOM 1150 CB VAL A 82 -0.850 8.620 -2.211 1.00 0.27 C ATOM 1151 CG1 VAL A 82 -1.464 8.178 -0.893 1.00 1.36 C ATOM 1152 CG2 VAL A 82 -0.129 7.458 -2.865 1.00 1.01 C ATOM 0 H VAL A 82 -0.622 10.454 -4.190 1.00 0.20 H new ATOM 0 HA VAL A 82 -2.555 8.347 -3.457 1.00 0.21 H new ATOM 0 HB VAL A 82 -0.133 9.414 -2.002 1.00 0.27 H new ATOM 0 HG11 VAL A 82 -0.684 7.784 -0.242 1.00 1.36 H new ATOM 0 HG12 VAL A 82 -1.943 9.030 -0.411 1.00 1.36 H new ATOM 0 HG13 VAL A 82 -2.207 7.402 -1.080 1.00 1.36 H new ATOM 0 HG21 VAL A 82 0.626 7.068 -2.183 1.00 1.01 H new ATOM 0 HG22 VAL A 82 -0.846 6.672 -3.101 1.00 1.01 H new ATOM 0 HG23 VAL A 82 0.352 7.798 -3.782 1.00 1.01 H new ATOM 1162 N LYS A 83 -4.041 10.102 -2.514 1.00 0.21 N ATOM 1163 CA LYS A 83 -4.954 11.122 -2.041 1.00 0.23 C ATOM 1164 C LYS A 83 -5.956 10.550 -1.050 1.00 0.22 C ATOM 1165 O LYS A 83 -6.096 9.334 -0.903 1.00 0.21 O ATOM 1166 CB LYS A 83 -5.721 11.695 -3.226 1.00 0.30 C ATOM 1167 CG LYS A 83 -4.849 12.066 -4.409 1.00 0.80 C ATOM 1168 CD LYS A 83 -5.567 11.789 -5.718 1.00 0.55 C ATOM 1169 CE LYS A 83 -6.899 12.516 -5.792 1.00 1.14 C ATOM 1170 NZ LYS A 83 -6.729 13.993 -5.720 1.00 1.70 N ATOM 0 H LYS A 83 -4.499 9.272 -2.890 1.00 0.21 H new ATOM 0 HA LYS A 83 -4.370 11.896 -1.543 1.00 0.23 H new ATOM 0 HB2 LYS A 83 -6.464 10.966 -3.551 1.00 0.30 H new ATOM 0 HB3 LYS A 83 -6.266 12.581 -2.898 1.00 0.30 H new ATOM 0 HG2 LYS A 83 -4.582 13.121 -4.352 1.00 0.80 H new ATOM 0 HG3 LYS A 83 -3.919 11.499 -4.373 1.00 0.80 H new ATOM 0 HD2 LYS A 83 -4.937 12.098 -6.552 1.00 0.55 H new ATOM 0 HD3 LYS A 83 -5.731 10.717 -5.823 1.00 0.55 H new ATOM 0 HE2 LYS A 83 -7.405 12.254 -6.721 1.00 1.14 H new ATOM 0 HE3 LYS A 83 -7.540 12.184 -4.975 1.00 1.14 H new ATOM 0 HZ1 LYS A 83 -7.644 14.457 -5.892 1.00 1.70 H new ATOM 0 HZ2 LYS A 83 -6.379 14.257 -4.777 1.00 1.70 H new ATOM 0 HZ3 LYS A 83 -6.045 14.299 -6.441 1.00 1.70 H new ATOM 1184 N SER A 84 -6.642 11.439 -0.367 1.00 0.26 N ATOM 1185 CA SER A 84 -7.779 11.070 0.442 1.00 0.26 C ATOM 1186 C SER A 84 -9.013 11.793 -0.092 1.00 0.29 C ATOM 1187 O SER A 84 -8.888 12.829 -0.750 1.00 0.32 O ATOM 1188 CB SER A 84 -7.521 11.401 1.910 1.00 0.30 C ATOM 1189 OG SER A 84 -7.077 12.736 2.064 1.00 0.72 O ATOM 0 H SER A 84 -6.427 12.436 -0.357 1.00 0.26 H new ATOM 0 HA SER A 84 -7.948 9.995 0.384 1.00 0.26 H new ATOM 0 HB2 SER A 84 -8.434 11.250 2.485 1.00 0.30 H new ATOM 0 HB3 SER A 84 -6.774 10.718 2.314 1.00 0.30 H new ATOM 0 HG SER A 84 -6.921 12.921 3.014 1.00 0.72 H new ATOM 1195 N GLN A 85 -10.190 11.230 0.144 1.00 0.30 N ATOM 1196 CA GLN A 85 -11.439 11.781 -0.395 1.00 0.37 C ATOM 1197 C GLN A 85 -11.685 13.223 0.063 1.00 0.44 C ATOM 1198 O GLN A 85 -10.905 13.778 0.838 1.00 0.47 O ATOM 1199 CB GLN A 85 -12.613 10.899 0.019 1.00 0.37 C ATOM 1200 CG GLN A 85 -13.328 10.246 -1.151 1.00 0.41 C ATOM 1201 CD GLN A 85 -12.452 9.259 -1.895 1.00 0.39 C ATOM 1202 OE1 GLN A 85 -12.578 9.087 -3.104 1.00 0.46 O ATOM 1203 NE2 GLN A 85 -11.571 8.591 -1.167 1.00 0.34 N ATOM 0 H GLN A 85 -10.313 10.388 0.707 1.00 0.30 H new ATOM 0 HA GLN A 85 -11.347 11.796 -1.481 1.00 0.37 H new ATOM 0 HB2 GLN A 85 -12.252 10.122 0.693 1.00 0.37 H new ATOM 0 HB3 GLN A 85 -13.328 11.501 0.580 1.00 0.37 H new ATOM 0 HG2 GLN A 85 -14.218 9.733 -0.787 1.00 0.41 H new ATOM 0 HG3 GLN A 85 -13.666 11.018 -1.842 1.00 0.41 H new ATOM 0 HE21 GLN A 85 -11.500 8.766 -0.165 1.00 0.34 H new ATOM 0 HE22 GLN A 85 -10.963 7.901 -1.608 1.00 0.34 H new ATOM 1212 N ALA A 86 -12.764 13.829 -0.416 1.00 0.52 N ATOM 1213 CA ALA A 86 -13.065 15.219 -0.085 1.00 0.61 C ATOM 1214 C ALA A 86 -13.240 15.402 1.421 1.00 0.67 C ATOM 1215 O ALA A 86 -12.678 16.325 2.009 1.00 0.72 O ATOM 1216 CB ALA A 86 -14.304 15.679 -0.834 1.00 0.71 C ATOM 0 H ALA A 86 -13.444 13.384 -1.032 1.00 0.52 H new ATOM 0 HA ALA A 86 -12.221 15.836 -0.395 1.00 0.61 H new ATOM 0 HB1 ALA A 86 -14.519 16.717 -0.579 1.00 0.71 H new ATOM 0 HB2 ALA A 86 -14.132 15.597 -1.907 1.00 0.71 H new ATOM 0 HB3 ALA A 86 -15.152 15.054 -0.554 1.00 0.71 H new ATOM 1222 N ASP A 87 -13.990 14.506 2.048 1.00 0.71 N ATOM 1223 CA ASP A 87 -14.127 14.522 3.505 1.00 0.80 C ATOM 1224 C ASP A 87 -13.441 13.301 4.094 1.00 0.65 C ATOM 1225 O ASP A 87 -13.040 13.300 5.256 1.00 0.69 O ATOM 1226 CB ASP A 87 -15.601 14.548 3.917 1.00 0.98 C ATOM 1227 CG ASP A 87 -15.786 14.541 5.425 1.00 1.32 C ATOM 1228 OD1 ASP A 87 -15.597 15.602 6.060 1.00 1.59 O ATOM 1229 OD2 ASP A 87 -16.120 13.474 5.983 1.00 1.50 O ATOM 0 H ASP A 87 -14.510 13.764 1.579 1.00 0.71 H new ATOM 0 HA ASP A 87 -13.654 15.426 3.889 1.00 0.80 H new ATOM 0 HB2 ASP A 87 -16.075 15.437 3.501 1.00 0.98 H new ATOM 0 HB3 ASP A 87 -16.110 13.685 3.488 1.00 0.98 H new ATOM 1234 N ASN A 88 -13.304 12.278 3.247 1.00 0.50 N ATOM 1235 CA ASN A 88 -12.519 11.072 3.531 1.00 0.37 C ATOM 1236 C ASN A 88 -12.615 10.607 4.980 1.00 0.39 C ATOM 1237 O ASN A 88 -11.602 10.436 5.650 1.00 0.44 O ATOM 1238 CB ASN A 88 -11.047 11.268 3.121 1.00 0.36 C ATOM 1239 CG ASN A 88 -10.293 12.328 3.926 1.00 0.49 C ATOM 1240 OD1 ASN A 88 -9.658 12.027 4.934 1.00 1.10 O ATOM 1241 ND2 ASN A 88 -10.328 13.567 3.468 1.00 1.14 N ATOM 0 H ASN A 88 -13.744 12.263 2.327 1.00 0.50 H new ATOM 0 HA ASN A 88 -12.959 10.278 2.927 1.00 0.37 H new ATOM 0 HB2 ASN A 88 -10.526 10.316 3.223 1.00 0.36 H new ATOM 0 HB3 ASN A 88 -11.011 11.540 2.066 1.00 0.36 H new ATOM 0 HD21 ASN A 88 -9.819 14.305 3.954 1.00 1.14 H new ATOM 0 HD22 ASN A 88 -10.864 13.785 2.628 1.00 1.14 H new ATOM 1248 N THR A 89 -13.827 10.384 5.461 1.00 0.43 N ATOM 1249 CA THR A 89 -14.001 9.870 6.806 1.00 0.48 C ATOM 1250 C THR A 89 -13.245 8.556 6.961 1.00 0.43 C ATOM 1251 O THR A 89 -12.279 8.467 7.716 1.00 0.48 O ATOM 1252 CB THR A 89 -15.483 9.647 7.145 1.00 0.58 C ATOM 1253 OG1 THR A 89 -16.221 10.855 6.927 1.00 0.68 O ATOM 1254 CG2 THR A 89 -15.640 9.208 8.592 1.00 0.67 C ATOM 0 H THR A 89 -14.693 10.549 4.947 1.00 0.43 H new ATOM 0 HA THR A 89 -13.604 10.615 7.496 1.00 0.48 H new ATOM 0 HB THR A 89 -15.871 8.862 6.496 1.00 0.58 H new ATOM 0 HG1 THR A 89 -15.606 11.572 6.666 1.00 0.68 H new ATOM 0 HG21 THR A 89 -16.696 9.055 8.813 1.00 0.67 H new ATOM 0 HG22 THR A 89 -15.097 8.276 8.750 1.00 0.67 H new ATOM 0 HG23 THR A 89 -15.239 9.978 9.251 1.00 0.67 H new ATOM 1262 N LYS A 90 -13.701 7.531 6.256 1.00 0.38 N ATOM 1263 CA LYS A 90 -12.997 6.263 6.229 1.00 0.35 C ATOM 1264 C LYS A 90 -12.445 5.939 4.836 1.00 0.29 C ATOM 1265 O LYS A 90 -11.856 4.882 4.632 1.00 0.32 O ATOM 1266 CB LYS A 90 -13.904 5.143 6.737 1.00 0.44 C ATOM 1267 CG LYS A 90 -15.221 5.020 5.988 1.00 0.68 C ATOM 1268 CD LYS A 90 -16.158 4.047 6.683 1.00 0.78 C ATOM 1269 CE LYS A 90 -15.528 2.670 6.831 1.00 1.07 C ATOM 1270 NZ LYS A 90 -16.392 1.738 7.597 1.00 1.47 N ATOM 0 H LYS A 90 -14.554 7.555 5.697 1.00 0.38 H new ATOM 0 HA LYS A 90 -12.138 6.347 6.895 1.00 0.35 H new ATOM 0 HB2 LYS A 90 -13.368 4.196 6.666 1.00 0.44 H new ATOM 0 HB3 LYS A 90 -14.114 5.312 7.793 1.00 0.44 H new ATOM 0 HG2 LYS A 90 -15.695 5.999 5.918 1.00 0.68 H new ATOM 0 HG3 LYS A 90 -15.033 4.683 4.969 1.00 0.68 H new ATOM 0 HD2 LYS A 90 -16.421 4.435 7.667 1.00 0.78 H new ATOM 0 HD3 LYS A 90 -17.084 3.965 6.115 1.00 0.78 H new ATOM 0 HE2 LYS A 90 -15.333 2.253 5.843 1.00 1.07 H new ATOM 0 HE3 LYS A 90 -14.565 2.765 7.332 1.00 1.07 H new ATOM 0 HZ1 LYS A 90 -15.923 0.813 7.673 1.00 1.47 H new ATOM 0 HZ2 LYS A 90 -16.557 2.121 8.549 1.00 1.47 H new ATOM 0 HZ3 LYS A 90 -17.302 1.626 7.106 1.00 1.47 H new ATOM 1284 N VAL A 91 -12.591 6.864 3.890 1.00 0.27 N ATOM 1285 CA VAL A 91 -12.292 6.567 2.489 1.00 0.25 C ATOM 1286 C VAL A 91 -10.952 7.161 2.031 1.00 0.22 C ATOM 1287 O VAL A 91 -10.647 8.322 2.304 1.00 0.31 O ATOM 1288 CB VAL A 91 -13.401 7.105 1.565 1.00 0.29 C ATOM 1289 CG1 VAL A 91 -13.337 6.434 0.202 1.00 0.35 C ATOM 1290 CG2 VAL A 91 -14.775 6.911 2.191 1.00 0.39 C ATOM 0 H VAL A 91 -12.911 7.817 4.064 1.00 0.27 H new ATOM 0 HA VAL A 91 -12.232 5.481 2.420 1.00 0.25 H new ATOM 0 HB VAL A 91 -13.237 8.174 1.431 1.00 0.29 H new ATOM 0 HG11 VAL A 91 -14.129 6.828 -0.435 1.00 0.35 H new ATOM 0 HG12 VAL A 91 -12.369 6.634 -0.257 1.00 0.35 H new ATOM 0 HG13 VAL A 91 -13.468 5.358 0.320 1.00 0.35 H new ATOM 0 HG21 VAL A 91 -15.540 7.299 1.518 1.00 0.39 H new ATOM 0 HG22 VAL A 91 -14.949 5.849 2.364 1.00 0.39 H new ATOM 0 HG23 VAL A 91 -14.821 7.446 3.140 1.00 0.39 H new ATOM 1300 N LEU A 92 -10.167 6.350 1.327 1.00 0.20 N ATOM 1301 CA LEU A 92 -8.911 6.785 0.705 1.00 0.17 C ATOM 1302 C LEU A 92 -9.027 6.695 -0.813 1.00 0.17 C ATOM 1303 O LEU A 92 -9.813 5.908 -1.319 1.00 0.19 O ATOM 1304 CB LEU A 92 -7.737 5.920 1.167 1.00 0.17 C ATOM 1305 CG LEU A 92 -6.941 6.445 2.362 1.00 0.18 C ATOM 1306 CD1 LEU A 92 -7.845 6.697 3.554 1.00 0.22 C ATOM 1307 CD2 LEU A 92 -5.841 5.461 2.727 1.00 0.19 C ATOM 0 H LEU A 92 -10.382 5.366 1.169 1.00 0.20 H new ATOM 0 HA LEU A 92 -8.727 7.816 1.007 1.00 0.17 H new ATOM 0 HB2 LEU A 92 -8.119 4.930 1.418 1.00 0.17 H new ATOM 0 HB3 LEU A 92 -7.053 5.795 0.328 1.00 0.17 H new ATOM 0 HG LEU A 92 -6.488 7.396 2.081 1.00 0.18 H new ATOM 0 HD11 LEU A 92 -7.251 7.070 4.389 1.00 0.22 H new ATOM 0 HD12 LEU A 92 -8.601 7.436 3.288 1.00 0.22 H new ATOM 0 HD13 LEU A 92 -8.334 5.767 3.843 1.00 0.22 H new ATOM 0 HD21 LEU A 92 -5.279 5.843 3.579 1.00 0.19 H new ATOM 0 HD22 LEU A 92 -6.284 4.500 2.986 1.00 0.19 H new ATOM 0 HD23 LEU A 92 -5.170 5.334 1.878 1.00 0.19 H new ATOM 1319 N VAL A 93 -8.286 7.523 -1.538 1.00 0.17 N ATOM 1320 CA VAL A 93 -8.297 7.467 -2.997 1.00 0.18 C ATOM 1321 C VAL A 93 -6.872 7.519 -3.560 1.00 0.17 C ATOM 1322 O VAL A 93 -6.198 8.543 -3.509 1.00 0.19 O ATOM 1323 CB VAL A 93 -9.173 8.601 -3.590 1.00 0.20 C ATOM 1324 CG1 VAL A 93 -8.940 9.910 -2.863 1.00 0.20 C ATOM 1325 CG2 VAL A 93 -8.931 8.773 -5.081 1.00 0.24 C ATOM 0 H VAL A 93 -7.673 8.237 -1.145 1.00 0.17 H new ATOM 0 HA VAL A 93 -8.738 6.515 -3.293 1.00 0.18 H new ATOM 0 HB VAL A 93 -10.214 8.310 -3.449 1.00 0.20 H new ATOM 0 HG11 VAL A 93 -9.568 10.686 -3.301 1.00 0.20 H new ATOM 0 HG12 VAL A 93 -9.192 9.791 -1.809 1.00 0.20 H new ATOM 0 HG13 VAL A 93 -7.892 10.196 -2.955 1.00 0.20 H new ATOM 0 HG21 VAL A 93 -9.562 9.576 -5.462 1.00 0.24 H new ATOM 0 HG22 VAL A 93 -7.884 9.021 -5.253 1.00 0.24 H new ATOM 0 HG23 VAL A 93 -9.174 7.845 -5.598 1.00 0.24 H new ATOM 1335 N ILE A 94 -6.420 6.395 -4.099 1.00 0.16 N ATOM 1336 CA ILE A 94 -5.061 6.277 -4.619 1.00 0.15 C ATOM 1337 C ILE A 94 -5.088 5.908 -6.099 1.00 0.15 C ATOM 1338 O ILE A 94 -5.694 4.911 -6.482 1.00 0.17 O ATOM 1339 CB ILE A 94 -4.240 5.212 -3.839 1.00 0.16 C ATOM 1340 CG1 ILE A 94 -3.772 5.742 -2.475 1.00 0.17 C ATOM 1341 CG2 ILE A 94 -3.039 4.740 -4.650 1.00 0.16 C ATOM 1342 CD1 ILE A 94 -4.879 5.930 -1.460 1.00 0.18 C ATOM 0 H ILE A 94 -6.977 5.546 -4.189 1.00 0.16 H new ATOM 0 HA ILE A 94 -4.579 7.246 -4.490 1.00 0.15 H new ATOM 0 HB ILE A 94 -4.904 4.365 -3.667 1.00 0.16 H new ATOM 0 HG12 ILE A 94 -3.034 5.052 -2.065 1.00 0.17 H new ATOM 0 HG13 ILE A 94 -3.267 6.697 -2.624 1.00 0.17 H new ATOM 0 HG21 ILE A 94 -2.484 3.996 -4.079 1.00 0.16 H new ATOM 0 HG22 ILE A 94 -3.383 4.298 -5.585 1.00 0.16 H new ATOM 0 HG23 ILE A 94 -2.390 5.589 -4.867 1.00 0.16 H new ATOM 0 HD11 ILE A 94 -4.458 6.307 -0.528 1.00 0.18 H new ATOM 0 HD12 ILE A 94 -5.607 6.644 -1.844 1.00 0.18 H new ATOM 0 HD13 ILE A 94 -5.370 4.975 -1.276 1.00 0.18 H new ATOM 1354 N THR A 95 -4.427 6.705 -6.924 1.00 0.14 N ATOM 1355 CA THR A 95 -4.399 6.460 -8.357 1.00 0.13 C ATOM 1356 C THR A 95 -2.980 6.124 -8.816 1.00 0.11 C ATOM 1357 O THR A 95 -2.002 6.692 -8.319 1.00 0.12 O ATOM 1358 CB THR A 95 -4.912 7.687 -9.139 1.00 0.16 C ATOM 1359 OG1 THR A 95 -6.106 8.195 -8.528 1.00 0.20 O ATOM 1360 CG2 THR A 95 -5.202 7.328 -10.591 1.00 0.16 C ATOM 0 H THR A 95 -3.903 7.527 -6.625 1.00 0.14 H new ATOM 0 HA THR A 95 -5.055 5.613 -8.560 1.00 0.13 H new ATOM 0 HB THR A 95 -4.134 8.450 -9.116 1.00 0.16 H new ATOM 0 HG1 THR A 95 -6.424 8.975 -9.030 1.00 0.20 H new ATOM 0 HG21 THR A 95 -5.562 8.211 -11.119 1.00 0.16 H new ATOM 0 HG22 THR A 95 -4.289 6.968 -11.066 1.00 0.16 H new ATOM 0 HG23 THR A 95 -5.962 6.548 -10.628 1.00 0.16 H new ATOM 1368 N VAL A 96 -2.868 5.201 -9.761 1.00 0.11 N ATOM 1369 CA VAL A 96 -1.580 4.801 -10.298 1.00 0.10 C ATOM 1370 C VAL A 96 -1.510 5.061 -11.804 1.00 0.11 C ATOM 1371 O VAL A 96 -2.502 4.895 -12.515 1.00 0.14 O ATOM 1372 CB VAL A 96 -1.289 3.316 -9.991 1.00 0.12 C ATOM 1373 CG1 VAL A 96 -2.530 2.462 -10.167 1.00 0.14 C ATOM 1374 CG2 VAL A 96 -0.166 2.792 -10.864 1.00 0.14 C ATOM 0 H VAL A 96 -3.663 4.713 -10.173 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.815 5.406 -9.811 1.00 0.10 H new ATOM 0 HB VAL A 96 -0.978 3.254 -8.948 1.00 0.12 H new ATOM 0 HG11 VAL A 96 -2.291 1.422 -9.943 1.00 0.14 H new ATOM 0 HG12 VAL A 96 -3.310 2.809 -9.489 1.00 0.14 H new ATOM 0 HG13 VAL A 96 -2.882 2.540 -11.195 1.00 0.14 H new ATOM 0 HG21 VAL A 96 0.019 1.744 -10.628 1.00 0.14 H new ATOM 0 HG22 VAL A 96 -0.448 2.884 -11.913 1.00 0.14 H new ATOM 0 HG23 VAL A 96 0.739 3.371 -10.679 1.00 0.14 H new ATOM 1384 N ASN A 97 -0.338 5.483 -12.277 1.00 0.14 N ATOM 1385 CA ASN A 97 -0.138 5.794 -13.688 1.00 0.23 C ATOM 1386 C ASN A 97 0.919 4.871 -14.293 1.00 0.34 C ATOM 1387 O ASN A 97 1.919 4.577 -13.641 1.00 0.81 O ATOM 1388 CB ASN A 97 0.280 7.256 -13.864 1.00 0.44 C ATOM 1389 CG ASN A 97 0.462 7.646 -15.320 1.00 1.14 C ATOM 1390 OD1 ASN A 97 1.544 7.498 -15.886 1.00 1.45 O ATOM 1391 ND2 ASN A 97 -0.595 8.162 -15.930 1.00 1.87 N ATOM 0 H ASN A 97 0.491 5.617 -11.698 1.00 0.14 H new ATOM 0 HA ASN A 97 -1.082 5.637 -14.209 1.00 0.23 H new ATOM 0 HB2 ASN A 97 -0.473 7.901 -13.411 1.00 0.44 H new ATOM 0 HB3 ASN A 97 1.213 7.429 -13.327 1.00 0.44 H new ATOM 0 HD21 ASN A 97 -0.529 8.453 -16.905 1.00 1.87 H new ATOM 0 HD22 ASN A 97 -1.475 8.268 -15.424 1.00 1.87 H new ATOM 1398 N ASN A 98 0.663 4.439 -15.538 1.00 0.42 N ATOM 1399 CA ASN A 98 1.507 3.503 -16.316 1.00 0.43 C ATOM 1400 C ASN A 98 0.934 2.073 -16.289 1.00 0.38 C ATOM 1401 O ASN A 98 0.668 1.514 -17.354 1.00 0.43 O ATOM 1402 CB ASN A 98 2.999 3.543 -15.934 1.00 0.51 C ATOM 1403 CG ASN A 98 3.833 2.555 -16.729 1.00 0.58 C ATOM 1404 OD1 ASN A 98 4.292 2.857 -17.829 1.00 0.75 O ATOM 1405 ND2 ASN A 98 4.047 1.371 -16.177 1.00 0.57 N ATOM 0 H ASN A 98 -0.165 4.739 -16.053 1.00 0.42 H new ATOM 0 HA ASN A 98 1.472 3.855 -17.347 1.00 0.43 H new ATOM 0 HB2 ASN A 98 3.384 4.550 -16.095 1.00 0.51 H new ATOM 0 HB3 ASN A 98 3.104 3.328 -14.871 1.00 0.51 H new ATOM 0 HD21 ASN A 98 4.609 0.674 -16.666 1.00 0.57 H new ATOM 0 HD22 ASN A 98 3.650 1.155 -15.262 1.00 0.57 H new ATOM 1412 N PRO A 99 0.745 1.427 -15.110 1.00 0.35 N ATOM 1413 CA PRO A 99 -0.123 0.245 -15.013 1.00 0.34 C ATOM 1414 C PRO A 99 -1.546 0.569 -15.459 1.00 0.30 C ATOM 1415 O PRO A 99 -1.882 1.736 -15.676 1.00 0.29 O ATOM 1416 CB PRO A 99 -0.097 -0.108 -13.523 1.00 0.36 C ATOM 1417 CG PRO A 99 1.185 0.453 -13.033 1.00 0.40 C ATOM 1418 CD PRO A 99 1.395 1.716 -13.816 1.00 0.38 C ATOM 0 HA PRO A 99 0.214 -0.571 -15.651 1.00 0.34 H new ATOM 0 HB2 PRO A 99 -0.947 0.326 -12.997 1.00 0.36 H new ATOM 0 HB3 PRO A 99 -0.143 -1.186 -13.369 1.00 0.36 H new ATOM 0 HG2 PRO A 99 1.141 0.657 -11.963 1.00 0.40 H new ATOM 0 HG3 PRO A 99 2.005 -0.247 -13.190 1.00 0.40 H new ATOM 0 HD2 PRO A 99 0.942 2.575 -13.322 1.00 0.38 H new ATOM 0 HD3 PRO A 99 2.454 1.941 -13.940 1.00 0.38 H new ATOM 1426 N GLN A 100 -2.376 -0.457 -15.595 1.00 0.34 N ATOM 1427 CA GLN A 100 -3.755 -0.272 -16.034 1.00 0.36 C ATOM 1428 C GLN A 100 -4.487 0.620 -15.039 1.00 0.32 C ATOM 1429 O GLN A 100 -4.651 0.251 -13.874 1.00 0.31 O ATOM 1430 CB GLN A 100 -4.465 -1.623 -16.139 1.00 0.46 C ATOM 1431 CG GLN A 100 -3.781 -2.606 -17.075 1.00 1.17 C ATOM 1432 CD GLN A 100 -4.400 -3.990 -17.017 1.00 1.25 C ATOM 1433 OE1 GLN A 100 -4.941 -4.399 -15.990 1.00 1.54 O ATOM 1434 NE2 GLN A 100 -4.313 -4.726 -18.111 1.00 1.87 N ATOM 0 H GLN A 100 -2.119 -1.426 -15.408 1.00 0.34 H new ATOM 0 HA GLN A 100 -3.756 0.199 -17.017 1.00 0.36 H new ATOM 0 HB2 GLN A 100 -4.530 -2.067 -15.146 1.00 0.46 H new ATOM 0 HB3 GLN A 100 -5.487 -1.460 -16.482 1.00 0.46 H new ATOM 0 HG2 GLN A 100 -3.837 -2.229 -18.096 1.00 1.17 H new ATOM 0 HG3 GLN A 100 -2.724 -2.673 -16.817 1.00 1.17 H new ATOM 0 HE21 GLN A 100 -3.857 -4.351 -18.943 1.00 1.87 H new ATOM 0 HE22 GLN A 100 -4.702 -5.669 -18.124 1.00 1.87 H new ATOM 1443 N PRO A 101 -4.917 1.813 -15.496 1.00 0.36 N ATOM 1444 CA PRO A 101 -5.496 2.847 -14.633 1.00 0.35 C ATOM 1445 C PRO A 101 -6.523 2.302 -13.657 1.00 0.32 C ATOM 1446 O PRO A 101 -7.594 1.833 -14.051 1.00 0.39 O ATOM 1447 CB PRO A 101 -6.157 3.805 -15.621 1.00 0.45 C ATOM 1448 CG PRO A 101 -5.354 3.672 -16.865 1.00 0.57 C ATOM 1449 CD PRO A 101 -4.876 2.245 -16.909 1.00 0.46 C ATOM 0 HA PRO A 101 -4.737 3.311 -14.003 1.00 0.35 H new ATOM 0 HB2 PRO A 101 -7.200 3.540 -15.792 1.00 0.45 H new ATOM 0 HB3 PRO A 101 -6.145 4.829 -15.249 1.00 0.45 H new ATOM 0 HG2 PRO A 101 -5.955 3.908 -17.743 1.00 0.57 H new ATOM 0 HG3 PRO A 101 -4.512 4.364 -16.860 1.00 0.57 H new ATOM 0 HD2 PRO A 101 -5.520 1.627 -17.535 1.00 0.46 H new ATOM 0 HD3 PRO A 101 -3.869 2.173 -17.320 1.00 0.46 H new ATOM 1457 N THR A 102 -6.174 2.352 -12.384 1.00 0.26 N ATOM 1458 CA THR A 102 -7.054 1.911 -11.326 1.00 0.25 C ATOM 1459 C THR A 102 -6.873 2.818 -10.116 1.00 0.21 C ATOM 1460 O THR A 102 -5.753 3.225 -9.800 1.00 0.22 O ATOM 1461 CB THR A 102 -6.764 0.448 -10.919 1.00 0.27 C ATOM 1462 OG1 THR A 102 -6.682 -0.386 -12.084 1.00 0.33 O ATOM 1463 CG2 THR A 102 -7.854 -0.081 -9.996 1.00 0.30 C ATOM 0 H THR A 102 -5.272 2.700 -12.058 1.00 0.26 H new ATOM 0 HA THR A 102 -8.080 1.962 -11.691 1.00 0.25 H new ATOM 0 HB THR A 102 -5.811 0.428 -10.391 1.00 0.27 H new ATOM 0 HG1 THR A 102 -5.894 -0.136 -12.611 1.00 0.33 H new ATOM 0 HG21 THR A 102 -7.630 -1.112 -9.722 1.00 0.30 H new ATOM 0 HG22 THR A 102 -7.898 0.532 -9.096 1.00 0.30 H new ATOM 0 HG23 THR A 102 -8.815 -0.042 -10.509 1.00 0.30 H new ATOM 1471 N THR A 103 -7.967 3.148 -9.457 1.00 0.21 N ATOM 1472 CA THR A 103 -7.916 3.995 -8.284 1.00 0.19 C ATOM 1473 C THR A 103 -8.396 3.221 -7.066 1.00 0.20 C ATOM 1474 O THR A 103 -9.578 2.923 -6.925 1.00 0.28 O ATOM 1475 CB THR A 103 -8.754 5.271 -8.482 1.00 0.20 C ATOM 1476 OG1 THR A 103 -8.234 6.020 -9.590 1.00 0.22 O ATOM 1477 CG2 THR A 103 -8.742 6.137 -7.236 1.00 0.22 C ATOM 0 H THR A 103 -8.904 2.841 -9.716 1.00 0.21 H new ATOM 0 HA THR A 103 -6.882 4.301 -8.125 1.00 0.19 H new ATOM 0 HB THR A 103 -9.784 4.974 -8.682 1.00 0.20 H new ATOM 0 HG1 THR A 103 -7.613 6.703 -9.261 1.00 0.22 H new ATOM 0 HG21 THR A 103 -9.343 7.030 -7.408 1.00 0.22 H new ATOM 0 HG22 THR A 103 -9.157 5.576 -6.399 1.00 0.22 H new ATOM 0 HG23 THR A 103 -7.717 6.428 -7.005 1.00 0.22 H new ATOM 1485 N TYR A 104 -7.462 2.897 -6.192 1.00 0.17 N ATOM 1486 CA TYR A 104 -7.727 2.023 -5.067 1.00 0.18 C ATOM 1487 C TYR A 104 -8.189 2.818 -3.858 1.00 0.19 C ATOM 1488 O TYR A 104 -7.505 3.737 -3.407 1.00 0.20 O ATOM 1489 CB TYR A 104 -6.468 1.229 -4.724 1.00 0.19 C ATOM 1490 CG TYR A 104 -5.912 0.459 -5.898 1.00 0.20 C ATOM 1491 CD1 TYR A 104 -6.464 -0.757 -6.278 1.00 0.22 C ATOM 1492 CD2 TYR A 104 -4.836 0.950 -6.631 1.00 0.23 C ATOM 1493 CE1 TYR A 104 -5.958 -1.463 -7.356 1.00 0.26 C ATOM 1494 CE2 TYR A 104 -4.327 0.251 -7.708 1.00 0.25 C ATOM 1495 CZ TYR A 104 -4.891 -0.953 -8.067 1.00 0.26 C ATOM 1496 OH TYR A 104 -4.385 -1.657 -9.138 1.00 0.30 O ATOM 0 H TYR A 104 -6.500 3.232 -6.242 1.00 0.17 H new ATOM 0 HA TYR A 104 -8.525 1.334 -5.344 1.00 0.18 H new ATOM 0 HB2 TYR A 104 -5.705 1.913 -4.352 1.00 0.19 H new ATOM 0 HB3 TYR A 104 -6.694 0.533 -3.916 1.00 0.19 H new ATOM 0 HD1 TYR A 104 -7.300 -1.158 -5.725 1.00 0.22 H new ATOM 0 HD2 TYR A 104 -4.391 1.894 -6.353 1.00 0.23 H new ATOM 0 HE1 TYR A 104 -6.396 -2.409 -7.639 1.00 0.26 H new ATOM 0 HE2 TYR A 104 -3.491 0.647 -8.266 1.00 0.25 H new ATOM 0 HH TYR A 104 -3.637 -1.161 -9.531 1.00 0.30 H new ATOM 1506 N ASN A 105 -9.361 2.476 -3.350 1.00 0.18 N ATOM 1507 CA ASN A 105 -9.882 3.120 -2.154 1.00 0.18 C ATOM 1508 C ASN A 105 -9.639 2.230 -0.952 1.00 0.17 C ATOM 1509 O ASN A 105 -10.337 1.235 -0.763 1.00 0.16 O ATOM 1510 CB ASN A 105 -11.387 3.411 -2.262 1.00 0.20 C ATOM 1511 CG ASN A 105 -11.761 4.397 -3.360 1.00 0.24 C ATOM 1512 OD1 ASN A 105 -12.707 5.171 -3.209 1.00 0.46 O ATOM 1513 ND2 ASN A 105 -11.053 4.358 -4.477 1.00 0.26 N ATOM 0 H ASN A 105 -9.969 1.758 -3.745 1.00 0.18 H new ATOM 0 HA ASN A 105 -9.361 4.071 -2.042 1.00 0.18 H new ATOM 0 HB2 ASN A 105 -11.914 2.473 -2.438 1.00 0.20 H new ATOM 0 HB3 ASN A 105 -11.739 3.800 -1.306 1.00 0.20 H new ATOM 0 HD21 ASN A 105 -11.284 4.983 -5.249 1.00 0.26 H new ATOM 0 HD22 ASN A 105 -10.276 3.703 -4.566 1.00 0.26 H new ATOM 1520 N PHE A 106 -8.649 2.577 -0.145 1.00 0.18 N ATOM 1521 CA PHE A 106 -8.367 1.811 1.056 1.00 0.17 C ATOM 1522 C PHE A 106 -9.262 2.304 2.183 1.00 0.19 C ATOM 1523 O PHE A 106 -9.105 3.420 2.677 1.00 0.23 O ATOM 1524 CB PHE A 106 -6.891 1.943 1.456 1.00 0.19 C ATOM 1525 CG PHE A 106 -5.925 1.468 0.403 1.00 0.18 C ATOM 1526 CD1 PHE A 106 -5.591 0.128 0.298 1.00 0.21 C ATOM 1527 CD2 PHE A 106 -5.344 2.366 -0.476 1.00 0.31 C ATOM 1528 CE1 PHE A 106 -4.702 -0.308 -0.661 1.00 0.21 C ATOM 1529 CE2 PHE A 106 -4.453 1.936 -1.440 1.00 0.34 C ATOM 1530 CZ PHE A 106 -4.131 0.596 -1.533 1.00 0.23 C ATOM 0 H PHE A 106 -8.034 3.376 -0.298 1.00 0.18 H new ATOM 0 HA PHE A 106 -8.568 0.758 0.860 1.00 0.17 H new ATOM 0 HB2 PHE A 106 -6.679 2.988 1.684 1.00 0.19 H new ATOM 0 HB3 PHE A 106 -6.722 1.377 2.372 1.00 0.19 H new ATOM 0 HD1 PHE A 106 -6.033 -0.586 0.977 1.00 0.21 H new ATOM 0 HD2 PHE A 106 -5.590 3.415 -0.407 1.00 0.31 H new ATOM 0 HE1 PHE A 106 -4.453 -1.357 -0.730 1.00 0.21 H new ATOM 0 HE2 PHE A 106 -4.008 2.647 -2.121 1.00 0.34 H new ATOM 0 HZ PHE A 106 -3.435 0.257 -2.286 1.00 0.23 H new ATOM 1540 N THR A 107 -10.215 1.475 2.566 1.00 0.17 N ATOM 1541 CA THR A 107 -11.176 1.836 3.587 1.00 0.21 C ATOM 1542 C THR A 107 -11.135 0.844 4.740 1.00 0.20 C ATOM 1543 O THR A 107 -11.028 -0.355 4.524 1.00 0.22 O ATOM 1544 CB THR A 107 -12.594 1.879 2.992 1.00 0.26 C ATOM 1545 OG1 THR A 107 -12.605 2.714 1.827 1.00 0.39 O ATOM 1546 CG2 THR A 107 -13.593 2.402 4.007 1.00 0.35 C ATOM 0 H THR A 107 -10.343 0.539 2.180 1.00 0.17 H new ATOM 0 HA THR A 107 -10.915 2.824 3.965 1.00 0.21 H new ATOM 0 HB THR A 107 -12.882 0.864 2.718 1.00 0.26 H new ATOM 0 HG1 THR A 107 -13.170 3.497 1.991 1.00 0.39 H new ATOM 0 HG21 THR A 107 -14.588 2.422 3.561 1.00 0.35 H new ATOM 0 HG22 THR A 107 -13.600 1.750 4.880 1.00 0.35 H new ATOM 0 HG23 THR A 107 -13.310 3.410 4.310 1.00 0.35 H new ATOM 1554 N PHE A 108 -11.202 1.335 5.963 1.00 0.28 N ATOM 1555 CA PHE A 108 -11.270 0.457 7.115 1.00 0.26 C ATOM 1556 C PHE A 108 -12.221 1.034 8.148 1.00 0.27 C ATOM 1557 O PHE A 108 -12.574 2.213 8.080 1.00 0.33 O ATOM 1558 CB PHE A 108 -9.879 0.237 7.721 1.00 0.29 C ATOM 1559 CG PHE A 108 -9.815 -0.935 8.664 1.00 0.29 C ATOM 1560 CD1 PHE A 108 -9.498 -0.745 9.999 1.00 0.34 C ATOM 1561 CD2 PHE A 108 -10.072 -2.220 8.220 1.00 0.31 C ATOM 1562 CE1 PHE A 108 -9.435 -1.815 10.870 1.00 0.39 C ATOM 1563 CE2 PHE A 108 -10.012 -3.295 9.085 1.00 0.36 C ATOM 1564 CZ PHE A 108 -9.704 -3.104 10.400 1.00 0.38 C ATOM 0 H PHE A 108 -11.211 2.331 6.184 1.00 0.28 H new ATOM 0 HA PHE A 108 -11.647 -0.513 6.791 1.00 0.26 H new ATOM 0 HB2 PHE A 108 -9.160 0.085 6.916 1.00 0.29 H new ATOM 0 HB3 PHE A 108 -9.576 1.139 8.253 1.00 0.29 H new ATOM 0 HD1 PHE A 108 -9.298 0.252 10.363 1.00 0.34 H new ATOM 0 HD2 PHE A 108 -10.323 -2.385 7.183 1.00 0.31 H new ATOM 0 HE1 PHE A 108 -9.180 -1.657 11.907 1.00 0.39 H new ATOM 0 HE2 PHE A 108 -10.210 -4.291 8.719 1.00 0.36 H new ATOM 0 HZ PHE A 108 -9.668 -3.946 11.076 1.00 0.38 H new ATOM 1574 N LYS A 109 -12.616 0.208 9.108 1.00 0.25 N ATOM 1575 CA LYS A 109 -13.538 0.617 10.158 1.00 0.26 C ATOM 1576 C LYS A 109 -12.890 1.678 11.045 1.00 0.27 C ATOM 1577 O LYS A 109 -13.573 2.502 11.653 1.00 0.33 O ATOM 1578 CB LYS A 109 -13.954 -0.618 10.974 1.00 0.30 C ATOM 1579 CG LYS A 109 -14.962 -0.346 12.082 1.00 0.68 C ATOM 1580 CD LYS A 109 -14.274 -0.074 13.410 1.00 0.77 C ATOM 1581 CE LYS A 109 -15.275 0.296 14.494 1.00 1.16 C ATOM 1582 NZ LYS A 109 -16.261 -0.788 14.745 1.00 1.94 N ATOM 0 H LYS A 109 -12.307 -0.761 9.180 1.00 0.25 H new ATOM 0 HA LYS A 109 -14.431 1.059 9.715 1.00 0.26 H new ATOM 0 HB2 LYS A 109 -14.375 -1.359 10.294 1.00 0.30 H new ATOM 0 HB3 LYS A 109 -13.061 -1.061 11.416 1.00 0.30 H new ATOM 0 HG2 LYS A 109 -15.580 0.509 11.810 1.00 0.68 H new ATOM 0 HG3 LYS A 109 -15.629 -1.202 12.186 1.00 0.68 H new ATOM 0 HD2 LYS A 109 -13.714 -0.957 13.718 1.00 0.77 H new ATOM 0 HD3 LYS A 109 -13.553 0.735 13.288 1.00 0.77 H new ATOM 0 HE2 LYS A 109 -14.741 0.519 15.418 1.00 1.16 H new ATOM 0 HE3 LYS A 109 -15.803 1.204 14.203 1.00 1.16 H new ATOM 0 HZ1 LYS A 109 -16.835 -0.549 15.579 1.00 1.94 H new ATOM 0 HZ2 LYS A 109 -16.881 -0.892 13.916 1.00 1.94 H new ATOM 0 HZ3 LYS A 109 -15.758 -1.682 14.916 1.00 1.94 H new ATOM 1596 N SER A 110 -11.568 1.658 11.092 1.00 0.28 N ATOM 1597 CA SER A 110 -10.810 2.621 11.863 1.00 0.32 C ATOM 1598 C SER A 110 -10.296 3.737 10.953 1.00 0.41 C ATOM 1599 O SER A 110 -9.428 3.499 10.110 1.00 0.50 O ATOM 1600 CB SER A 110 -9.622 1.924 12.525 1.00 0.36 C ATOM 1601 OG SER A 110 -8.944 2.787 13.425 1.00 1.03 O ATOM 0 H SER A 110 -10.995 0.975 10.597 1.00 0.28 H new ATOM 0 HA SER A 110 -11.458 3.051 12.626 1.00 0.32 H new ATOM 0 HB2 SER A 110 -9.970 1.040 13.060 1.00 0.36 H new ATOM 0 HB3 SER A 110 -8.928 1.580 11.758 1.00 0.36 H new ATOM 0 HG SER A 110 -8.191 2.309 13.832 1.00 1.03 H new ATOM 1607 N PRO A 111 -10.844 4.963 11.082 1.00 0.48 N ATOM 1608 CA PRO A 111 -10.329 6.139 10.381 1.00 0.59 C ATOM 1609 C PRO A 111 -8.821 6.304 10.576 1.00 0.67 C ATOM 1610 O PRO A 111 -8.101 6.628 9.634 1.00 1.09 O ATOM 1611 CB PRO A 111 -11.095 7.319 11.004 1.00 0.73 C ATOM 1612 CG PRO A 111 -11.827 6.752 12.174 1.00 0.77 C ATOM 1613 CD PRO A 111 -12.033 5.298 11.870 1.00 0.56 C ATOM 0 HA PRO A 111 -10.474 6.064 9.303 1.00 0.59 H new ATOM 0 HB2 PRO A 111 -10.412 8.109 11.315 1.00 0.73 H new ATOM 0 HB3 PRO A 111 -11.786 7.760 10.286 1.00 0.73 H new ATOM 0 HG2 PRO A 111 -11.254 6.881 13.092 1.00 0.77 H new ATOM 0 HG3 PRO A 111 -12.781 7.259 12.320 1.00 0.77 H new ATOM 0 HD2 PRO A 111 -12.099 4.700 12.779 1.00 0.56 H new ATOM 0 HD3 PRO A 111 -12.952 5.128 11.309 1.00 0.56 H new ATOM 1621 N GLY A 112 -8.343 6.039 11.782 1.00 0.44 N ATOM 1622 CA GLY A 112 -6.924 6.166 12.057 1.00 0.49 C ATOM 1623 C GLY A 112 -6.093 5.159 11.285 1.00 0.46 C ATOM 1624 O GLY A 112 -4.959 5.445 10.897 1.00 0.63 O ATOM 0 H GLY A 112 -8.910 5.739 12.575 1.00 0.44 H new ATOM 0 HA2 GLY A 112 -6.596 7.174 11.803 1.00 0.49 H new ATOM 0 HA3 GLY A 112 -6.750 6.034 13.125 1.00 0.49 H new ATOM 1628 N GLU A 113 -6.669 3.987 11.043 1.00 0.32 N ATOM 1629 CA GLU A 113 -5.969 2.906 10.361 1.00 0.30 C ATOM 1630 C GLU A 113 -5.593 3.297 8.933 1.00 0.31 C ATOM 1631 O GLU A 113 -4.430 3.201 8.534 1.00 0.34 O ATOM 1632 CB GLU A 113 -6.862 1.661 10.339 1.00 0.28 C ATOM 1633 CG GLU A 113 -6.270 0.477 9.600 1.00 0.32 C ATOM 1634 CD GLU A 113 -4.981 -0.008 10.217 1.00 0.70 C ATOM 1635 OE1 GLU A 113 -5.019 -0.976 10.996 1.00 1.14 O ATOM 1636 OE2 GLU A 113 -3.921 0.578 9.922 1.00 0.76 O ATOM 0 H GLU A 113 -7.627 3.761 11.312 1.00 0.32 H new ATOM 0 HA GLU A 113 -5.047 2.697 10.904 1.00 0.30 H new ATOM 0 HB2 GLU A 113 -7.074 1.363 11.366 1.00 0.28 H new ATOM 0 HB3 GLU A 113 -7.815 1.921 9.879 1.00 0.28 H new ATOM 0 HG2 GLU A 113 -6.993 -0.339 9.590 1.00 0.32 H new ATOM 0 HG3 GLU A 113 -6.089 0.755 8.562 1.00 0.32 H new ATOM 1643 N ARG A 114 -6.575 3.757 8.169 1.00 0.35 N ATOM 1644 CA ARG A 114 -6.334 4.086 6.771 1.00 0.43 C ATOM 1645 C ARG A 114 -5.511 5.361 6.648 1.00 0.38 C ATOM 1646 O ARG A 114 -4.683 5.480 5.751 1.00 0.40 O ATOM 1647 CB ARG A 114 -7.624 4.202 5.954 1.00 0.61 C ATOM 1648 CG ARG A 114 -8.891 3.773 6.672 1.00 0.87 C ATOM 1649 CD ARG A 114 -9.564 4.965 7.320 1.00 0.65 C ATOM 1650 NE ARG A 114 -9.861 5.986 6.321 1.00 1.24 N ATOM 1651 CZ ARG A 114 -9.731 7.308 6.491 1.00 2.02 C ATOM 1652 NH1 ARG A 114 -9.288 7.807 7.628 1.00 2.55 N ATOM 1653 NH2 ARG A 114 -10.035 8.132 5.497 1.00 2.83 N ATOM 0 H ARG A 114 -7.532 3.909 8.487 1.00 0.35 H new ATOM 0 HA ARG A 114 -5.768 3.254 6.352 1.00 0.43 H new ATOM 0 HB2 ARG A 114 -7.740 5.238 5.636 1.00 0.61 H new ATOM 0 HB3 ARG A 114 -7.517 3.601 5.051 1.00 0.61 H new ATOM 0 HG2 ARG A 114 -9.574 3.302 5.966 1.00 0.87 H new ATOM 0 HG3 ARG A 114 -8.652 3.027 7.430 1.00 0.87 H new ATOM 0 HD2 ARG A 114 -10.484 4.649 7.811 1.00 0.65 H new ATOM 0 HD3 ARG A 114 -8.917 5.380 8.093 1.00 0.65 H new ATOM 0 HE ARG A 114 -10.197 5.665 5.413 1.00 1.24 H new ATOM 0 HH11 ARG A 114 -9.038 7.184 8.396 1.00 2.55 H new ATOM 0 HH12 ARG A 114 -9.195 8.817 7.740 1.00 2.55 H new ATOM 0 HH21 ARG A 114 -10.366 7.758 4.608 1.00 2.83 H new ATOM 0 HH22 ARG A 114 -9.938 9.140 5.622 1.00 2.83 H new ATOM 1667 N GLU A 115 -5.743 6.319 7.543 1.00 0.42 N ATOM 1668 CA GLU A 115 -4.926 7.530 7.573 1.00 0.48 C ATOM 1669 C GLU A 115 -3.456 7.184 7.772 1.00 0.37 C ATOM 1670 O GLU A 115 -2.586 7.763 7.124 1.00 0.40 O ATOM 1671 CB GLU A 115 -5.379 8.500 8.664 1.00 0.64 C ATOM 1672 CG GLU A 115 -6.639 9.265 8.310 1.00 1.24 C ATOM 1673 CD GLU A 115 -6.809 10.522 9.136 1.00 1.38 C ATOM 1674 OE1 GLU A 115 -6.342 11.597 8.705 1.00 1.49 O ATOM 1675 OE2 GLU A 115 -7.418 10.440 10.225 1.00 1.59 O ATOM 0 H GLU A 115 -6.479 6.282 8.248 1.00 0.42 H new ATOM 0 HA GLU A 115 -5.054 8.023 6.609 1.00 0.48 H new ATOM 0 HB2 GLU A 115 -5.549 7.944 9.586 1.00 0.64 H new ATOM 0 HB3 GLU A 115 -4.577 9.210 8.863 1.00 0.64 H new ATOM 0 HG2 GLU A 115 -6.614 9.530 7.253 1.00 1.24 H new ATOM 0 HG3 GLU A 115 -7.505 8.619 8.456 1.00 1.24 H new ATOM 1682 N SER A 116 -3.187 6.225 8.657 1.00 0.33 N ATOM 1683 CA SER A 116 -1.824 5.757 8.874 1.00 0.36 C ATOM 1684 C SER A 116 -1.235 5.215 7.575 1.00 0.31 C ATOM 1685 O SER A 116 -0.045 5.355 7.318 1.00 0.38 O ATOM 1686 CB SER A 116 -1.786 4.679 9.960 1.00 0.45 C ATOM 1687 OG SER A 116 -2.322 5.167 11.179 1.00 1.15 O ATOM 0 H SER A 116 -3.891 5.761 9.231 1.00 0.33 H new ATOM 0 HA SER A 116 -1.223 6.603 9.207 1.00 0.36 H new ATOM 0 HB2 SER A 116 -2.353 3.807 9.632 1.00 0.45 H new ATOM 0 HB3 SER A 116 -0.758 4.351 10.116 1.00 0.45 H new ATOM 0 HG SER A 116 -3.262 5.412 11.048 1.00 1.15 H new ATOM 1693 N TRP A 117 -2.083 4.612 6.752 1.00 0.25 N ATOM 1694 CA TRP A 117 -1.650 4.086 5.466 1.00 0.24 C ATOM 1695 C TRP A 117 -1.369 5.236 4.504 1.00 0.21 C ATOM 1696 O TRP A 117 -0.313 5.297 3.878 1.00 0.23 O ATOM 1697 CB TRP A 117 -2.726 3.175 4.874 1.00 0.26 C ATOM 1698 CG TRP A 117 -2.158 1.974 4.196 1.00 0.23 C ATOM 1699 CD1 TRP A 117 -1.983 0.750 4.753 1.00 0.23 C ATOM 1700 CD2 TRP A 117 -1.687 1.871 2.848 1.00 0.22 C ATOM 1701 NE1 TRP A 117 -1.417 -0.107 3.850 1.00 0.21 N ATOM 1702 CE2 TRP A 117 -1.228 0.553 2.673 1.00 0.21 C ATOM 1703 CE3 TRP A 117 -1.601 2.760 1.775 1.00 0.25 C ATOM 1704 CZ2 TRP A 117 -0.691 0.099 1.476 1.00 0.22 C ATOM 1705 CZ3 TRP A 117 -1.072 2.308 0.582 1.00 0.26 C ATOM 1706 CH2 TRP A 117 -0.621 0.987 0.441 1.00 0.24 C ATOM 0 H TRP A 117 -3.074 4.476 6.953 1.00 0.25 H new ATOM 0 HA TRP A 117 -0.739 3.507 5.616 1.00 0.24 H new ATOM 0 HB2 TRP A 117 -3.400 2.853 5.668 1.00 0.26 H new ATOM 0 HB3 TRP A 117 -3.323 3.742 4.159 1.00 0.26 H new ATOM 0 HD1 TRP A 117 -2.252 0.489 5.766 1.00 0.23 H new ATOM 0 HE1 TRP A 117 -1.176 -1.082 4.029 1.00 0.21 H new ATOM 0 HE3 TRP A 117 -1.941 3.780 1.876 1.00 0.25 H new ATOM 0 HZ2 TRP A 117 -0.342 -0.917 1.368 1.00 0.22 H new ATOM 0 HZ3 TRP A 117 -1.004 2.984 -0.258 1.00 0.26 H new ATOM 0 HH2 TRP A 117 -0.210 0.666 -0.505 1.00 0.24 H new ATOM 1717 N GLN A 118 -2.333 6.148 4.430 1.00 0.20 N ATOM 1718 CA GLN A 118 -2.292 7.303 3.535 1.00 0.19 C ATOM 1719 C GLN A 118 -0.985 8.088 3.666 1.00 0.18 C ATOM 1720 O GLN A 118 -0.330 8.386 2.669 1.00 0.21 O ATOM 1721 CB GLN A 118 -3.496 8.206 3.848 1.00 0.19 C ATOM 1722 CG GLN A 118 -3.540 9.518 3.078 1.00 0.17 C ATOM 1723 CD GLN A 118 -3.669 9.344 1.579 1.00 0.33 C ATOM 1724 OE1 GLN A 118 -3.205 10.185 0.813 1.00 0.74 O ATOM 1725 NE2 GLN A 118 -4.306 8.266 1.150 1.00 0.19 N ATOM 0 H GLN A 118 -3.179 6.106 4.999 1.00 0.20 H new ATOM 0 HA GLN A 118 -2.341 6.949 2.505 1.00 0.19 H new ATOM 0 HB2 GLN A 118 -4.410 7.650 3.640 1.00 0.19 H new ATOM 0 HB3 GLN A 118 -3.495 8.429 4.915 1.00 0.19 H new ATOM 0 HG2 GLN A 118 -4.380 10.112 3.439 1.00 0.17 H new ATOM 0 HG3 GLN A 118 -2.634 10.084 3.292 1.00 0.17 H new ATOM 0 HE21 GLN A 118 -4.676 7.592 1.820 1.00 0.19 H new ATOM 0 HE22 GLN A 118 -4.427 8.109 0.149 1.00 0.19 H new ATOM 1734 N GLU A 119 -0.609 8.423 4.888 1.00 0.19 N ATOM 1735 CA GLU A 119 0.596 9.209 5.121 1.00 0.22 C ATOM 1736 C GLU A 119 1.865 8.372 4.930 1.00 0.20 C ATOM 1737 O GLU A 119 2.839 8.830 4.328 1.00 0.26 O ATOM 1738 CB GLU A 119 0.559 9.802 6.529 1.00 0.27 C ATOM 1739 CG GLU A 119 0.425 8.753 7.621 1.00 0.27 C ATOM 1740 CD GLU A 119 0.378 9.350 9.011 1.00 0.39 C ATOM 1741 OE1 GLU A 119 -0.735 9.662 9.485 1.00 0.47 O ATOM 1742 OE2 GLU A 119 1.447 9.518 9.632 1.00 0.47 O ATOM 0 H GLU A 119 -1.117 8.165 5.734 1.00 0.19 H new ATOM 0 HA GLU A 119 0.622 10.014 4.386 1.00 0.22 H new ATOM 0 HB2 GLU A 119 1.469 10.377 6.697 1.00 0.27 H new ATOM 0 HB3 GLU A 119 -0.276 10.499 6.600 1.00 0.27 H new ATOM 0 HG2 GLU A 119 -0.481 8.172 7.450 1.00 0.27 H new ATOM 0 HG3 GLU A 119 1.264 8.060 7.557 1.00 0.27 H new ATOM 1749 N GLN A 120 1.840 7.141 5.422 1.00 0.17 N ATOM 1750 CA GLN A 120 3.022 6.290 5.430 1.00 0.18 C ATOM 1751 C GLN A 120 3.434 5.863 4.033 1.00 0.17 C ATOM 1752 O GLN A 120 4.626 5.795 3.728 1.00 0.18 O ATOM 1753 CB GLN A 120 2.778 5.064 6.301 1.00 0.19 C ATOM 1754 CG GLN A 120 3.095 5.303 7.766 1.00 0.23 C ATOM 1755 CD GLN A 120 4.574 5.531 7.999 1.00 0.27 C ATOM 1756 OE1 GLN A 120 4.972 6.218 8.938 1.00 0.32 O ATOM 1757 NE2 GLN A 120 5.401 4.973 7.131 1.00 0.25 N ATOM 0 H GLN A 120 1.009 6.707 5.823 1.00 0.17 H new ATOM 0 HA GLN A 120 3.841 6.877 5.845 1.00 0.18 H new ATOM 0 HB2 GLN A 120 1.736 4.759 6.206 1.00 0.19 H new ATOM 0 HB3 GLN A 120 3.386 4.238 5.934 1.00 0.19 H new ATOM 0 HG2 GLN A 120 2.535 6.168 8.121 1.00 0.23 H new ATOM 0 HG3 GLN A 120 2.764 4.446 8.353 1.00 0.23 H new ATOM 0 HE21 GLN A 120 5.032 4.410 6.365 1.00 0.25 H new ATOM 0 HE22 GLN A 120 6.408 5.106 7.228 1.00 0.25 H new ATOM 1766 N ILE A 121 2.457 5.578 3.186 1.00 0.17 N ATOM 1767 CA ILE A 121 2.744 5.151 1.829 1.00 0.18 C ATOM 1768 C ILE A 121 3.472 6.254 1.066 1.00 0.21 C ATOM 1769 O ILE A 121 4.404 5.983 0.313 1.00 0.21 O ATOM 1770 CB ILE A 121 1.463 4.729 1.073 1.00 0.19 C ATOM 1771 CG1 ILE A 121 1.809 4.162 -0.306 1.00 0.19 C ATOM 1772 CG2 ILE A 121 0.490 5.893 0.935 1.00 0.22 C ATOM 1773 CD1 ILE A 121 2.635 2.896 -0.250 1.00 0.19 C ATOM 0 H ILE A 121 1.464 5.635 3.414 1.00 0.17 H new ATOM 0 HA ILE A 121 3.390 4.276 1.892 1.00 0.18 H new ATOM 0 HB ILE A 121 0.977 3.950 1.660 1.00 0.19 H new ATOM 0 HG12 ILE A 121 0.886 3.960 -0.849 1.00 0.19 H new ATOM 0 HG13 ILE A 121 2.354 4.916 -0.874 1.00 0.19 H new ATOM 0 HG21 ILE A 121 -0.399 5.562 0.399 1.00 0.22 H new ATOM 0 HG22 ILE A 121 0.205 6.249 1.925 1.00 0.22 H new ATOM 0 HG23 ILE A 121 0.967 6.702 0.382 1.00 0.22 H new ATOM 0 HD11 ILE A 121 2.842 2.552 -1.263 1.00 0.19 H new ATOM 0 HD12 ILE A 121 3.575 3.097 0.264 1.00 0.19 H new ATOM 0 HD13 ILE A 121 2.084 2.126 0.290 1.00 0.19 H new ATOM 1785 N GLN A 122 3.082 7.499 1.314 1.00 0.26 N ATOM 1786 CA GLN A 122 3.685 8.637 0.630 1.00 0.33 C ATOM 1787 C GLN A 122 5.129 8.817 1.071 1.00 0.27 C ATOM 1788 O GLN A 122 6.006 9.123 0.262 1.00 0.26 O ATOM 1789 CB GLN A 122 2.886 9.907 0.903 1.00 0.50 C ATOM 1790 CG GLN A 122 1.508 9.898 0.270 1.00 0.75 C ATOM 1791 CD GLN A 122 0.686 11.104 0.658 1.00 0.63 C ATOM 1792 OE1 GLN A 122 0.715 12.137 -0.011 1.00 1.00 O ATOM 1793 NE2 GLN A 122 -0.053 10.981 1.744 1.00 0.39 N ATOM 0 H GLN A 122 2.352 7.746 1.982 1.00 0.26 H new ATOM 0 HA GLN A 122 3.671 8.442 -0.442 1.00 0.33 H new ATOM 0 HB2 GLN A 122 2.782 10.038 1.980 1.00 0.50 H new ATOM 0 HB3 GLN A 122 3.444 10.766 0.530 1.00 0.50 H new ATOM 0 HG2 GLN A 122 1.610 9.866 -0.815 1.00 0.75 H new ATOM 0 HG3 GLN A 122 0.981 8.992 0.568 1.00 0.75 H new ATOM 0 HE21 GLN A 122 -0.047 10.106 2.269 1.00 0.39 H new ATOM 0 HE22 GLN A 122 -0.630 11.761 2.059 1.00 0.39 H new ATOM 1802 N SER A 123 5.367 8.603 2.357 1.00 0.27 N ATOM 1803 CA SER A 123 6.708 8.670 2.911 1.00 0.26 C ATOM 1804 C SER A 123 7.594 7.603 2.270 1.00 0.20 C ATOM 1805 O SER A 123 8.769 7.838 1.989 1.00 0.23 O ATOM 1806 CB SER A 123 6.651 8.481 4.430 1.00 0.30 C ATOM 1807 OG SER A 123 7.928 8.648 5.018 1.00 1.03 O ATOM 0 H SER A 123 4.642 8.380 3.039 1.00 0.27 H new ATOM 0 HA SER A 123 7.137 9.649 2.696 1.00 0.26 H new ATOM 0 HB2 SER A 123 5.953 9.198 4.862 1.00 0.30 H new ATOM 0 HB3 SER A 123 6.269 7.486 4.661 1.00 0.30 H new ATOM 0 HG SER A 123 8.437 7.814 4.938 1.00 1.03 H new ATOM 1813 N LEU A 124 7.009 6.435 2.026 1.00 0.16 N ATOM 1814 CA LEU A 124 7.712 5.335 1.377 1.00 0.13 C ATOM 1815 C LEU A 124 8.005 5.681 -0.084 1.00 0.14 C ATOM 1816 O LEU A 124 9.137 5.530 -0.548 1.00 0.17 O ATOM 1817 CB LEU A 124 6.870 4.049 1.499 1.00 0.13 C ATOM 1818 CG LEU A 124 7.438 2.765 0.864 1.00 0.15 C ATOM 1819 CD1 LEU A 124 7.096 2.692 -0.612 1.00 0.18 C ATOM 1820 CD2 LEU A 124 8.944 2.669 1.060 1.00 0.18 C ATOM 0 H LEU A 124 6.041 6.225 2.271 1.00 0.16 H new ATOM 0 HA LEU A 124 8.670 5.167 1.870 1.00 0.13 H new ATOM 0 HB2 LEU A 124 6.703 3.855 2.559 1.00 0.13 H new ATOM 0 HB3 LEU A 124 5.894 4.242 1.053 1.00 0.13 H new ATOM 0 HG LEU A 124 6.974 1.919 1.371 1.00 0.15 H new ATOM 0 HD11 LEU A 124 7.508 1.777 -1.036 1.00 0.18 H new ATOM 0 HD12 LEU A 124 6.013 2.693 -0.735 1.00 0.18 H new ATOM 0 HD13 LEU A 124 7.521 3.554 -1.127 1.00 0.18 H new ATOM 0 HD21 LEU A 124 9.313 1.752 0.600 1.00 0.18 H new ATOM 0 HD22 LEU A 124 9.427 3.528 0.594 1.00 0.18 H new ATOM 0 HD23 LEU A 124 9.172 2.658 2.126 1.00 0.18 H new ATOM 1832 N MET A 125 6.987 6.169 -0.788 1.00 0.15 N ATOM 1833 CA MET A 125 7.114 6.524 -2.202 1.00 0.18 C ATOM 1834 C MET A 125 8.271 7.472 -2.434 1.00 0.20 C ATOM 1835 O MET A 125 9.147 7.205 -3.246 1.00 0.24 O ATOM 1836 CB MET A 125 5.835 7.203 -2.679 1.00 0.21 C ATOM 1837 CG MET A 125 4.618 6.307 -2.656 1.00 0.21 C ATOM 1838 SD MET A 125 3.085 7.243 -2.571 1.00 0.26 S ATOM 1839 CE MET A 125 3.283 8.344 -3.965 1.00 0.25 C ATOM 0 H MET A 125 6.057 6.329 -0.400 1.00 0.15 H new ATOM 0 HA MET A 125 7.293 5.603 -2.757 1.00 0.18 H new ATOM 0 HB2 MET A 125 5.644 8.075 -2.053 1.00 0.21 H new ATOM 0 HB3 MET A 125 5.986 7.567 -3.695 1.00 0.21 H new ATOM 0 HG2 MET A 125 4.612 5.683 -3.550 1.00 0.21 H new ATOM 0 HG3 MET A 125 4.680 5.636 -1.799 1.00 0.21 H new ATOM 0 HE1 MET A 125 2.311 8.743 -4.254 1.00 0.25 H new ATOM 0 HE2 MET A 125 3.945 9.165 -3.689 1.00 0.25 H new ATOM 0 HE3 MET A 125 3.714 7.796 -4.803 1.00 0.25 H new ATOM 1849 N LYS A 126 8.291 8.559 -1.685 1.00 0.20 N ATOM 1850 CA LYS A 126 9.294 9.595 -1.873 1.00 0.26 C ATOM 1851 C LYS A 126 10.649 9.151 -1.351 1.00 0.29 C ATOM 1852 O LYS A 126 11.676 9.612 -1.830 1.00 0.41 O ATOM 1853 CB LYS A 126 8.855 10.883 -1.178 1.00 0.31 C ATOM 1854 CG LYS A 126 7.452 11.342 -1.562 1.00 0.32 C ATOM 1855 CD LYS A 126 7.351 11.699 -3.037 1.00 0.46 C ATOM 1856 CE LYS A 126 5.943 12.149 -3.403 1.00 0.60 C ATOM 1857 NZ LYS A 126 5.838 12.537 -4.833 1.00 1.34 N ATOM 0 H LYS A 126 7.623 8.749 -0.938 1.00 0.20 H new ATOM 0 HA LYS A 126 9.392 9.782 -2.942 1.00 0.26 H new ATOM 0 HB2 LYS A 126 8.896 10.735 -0.099 1.00 0.31 H new ATOM 0 HB3 LYS A 126 9.565 11.675 -1.418 1.00 0.31 H new ATOM 0 HG2 LYS A 126 6.737 10.553 -1.331 1.00 0.32 H new ATOM 0 HG3 LYS A 126 7.177 12.208 -0.960 1.00 0.32 H new ATOM 0 HD2 LYS A 126 8.061 12.493 -3.271 1.00 0.46 H new ATOM 0 HD3 LYS A 126 7.628 10.836 -3.642 1.00 0.46 H new ATOM 0 HE2 LYS A 126 5.239 11.344 -3.193 1.00 0.60 H new ATOM 0 HE3 LYS A 126 5.658 12.994 -2.776 1.00 0.60 H new ATOM 0 HZ1 LYS A 126 4.864 12.837 -5.041 1.00 1.34 H new ATOM 0 HZ2 LYS A 126 6.491 13.322 -5.028 1.00 1.34 H new ATOM 0 HZ3 LYS A 126 6.085 11.724 -5.432 1.00 1.34 H new ATOM 1871 N PHE A 127 10.653 8.252 -0.381 1.00 0.25 N ATOM 1872 CA PHE A 127 11.902 7.740 0.158 1.00 0.30 C ATOM 1873 C PHE A 127 12.716 7.070 -0.943 1.00 0.35 C ATOM 1874 O PHE A 127 13.930 7.262 -1.037 1.00 0.43 O ATOM 1875 CB PHE A 127 11.635 6.756 1.296 1.00 0.28 C ATOM 1876 CG PHE A 127 12.884 6.136 1.853 1.00 0.33 C ATOM 1877 CD1 PHE A 127 13.186 4.812 1.588 1.00 0.39 C ATOM 1878 CD2 PHE A 127 13.761 6.881 2.623 1.00 0.41 C ATOM 1879 CE1 PHE A 127 14.339 4.239 2.081 1.00 0.45 C ATOM 1880 CE2 PHE A 127 14.917 6.313 3.123 1.00 0.47 C ATOM 1881 CZ PHE A 127 15.206 4.991 2.849 1.00 0.47 C ATOM 0 H PHE A 127 9.812 7.864 0.047 1.00 0.25 H new ATOM 0 HA PHE A 127 12.475 8.577 0.557 1.00 0.30 H new ATOM 0 HB2 PHE A 127 11.106 7.273 2.097 1.00 0.28 H new ATOM 0 HB3 PHE A 127 10.975 5.966 0.936 1.00 0.28 H new ATOM 0 HD1 PHE A 127 12.511 4.220 0.988 1.00 0.39 H new ATOM 0 HD2 PHE A 127 13.539 7.917 2.835 1.00 0.41 H new ATOM 0 HE1 PHE A 127 14.564 3.205 1.867 1.00 0.45 H new ATOM 0 HE2 PHE A 127 15.592 6.901 3.726 1.00 0.47 H new ATOM 0 HZ PHE A 127 16.110 4.545 3.235 1.00 0.47 H new ATOM 1891 N MET A 128 12.046 6.300 -1.786 1.00 0.36 N ATOM 1892 CA MET A 128 12.713 5.663 -2.910 1.00 0.46 C ATOM 1893 C MET A 128 12.634 6.536 -4.161 1.00 0.47 C ATOM 1894 O MET A 128 13.434 6.376 -5.082 1.00 0.57 O ATOM 1895 CB MET A 128 12.131 4.274 -3.196 1.00 0.54 C ATOM 1896 CG MET A 128 10.612 4.230 -3.247 1.00 0.53 C ATOM 1897 SD MET A 128 9.986 2.759 -4.079 1.00 1.04 S ATOM 1898 CE MET A 128 10.613 3.005 -5.739 1.00 1.63 C ATOM 0 H MET A 128 11.048 6.102 -1.714 1.00 0.36 H new ATOM 0 HA MET A 128 13.761 5.541 -2.636 1.00 0.46 H new ATOM 0 HB2 MET A 128 12.525 3.917 -4.147 1.00 0.54 H new ATOM 0 HB3 MET A 128 12.477 3.583 -2.428 1.00 0.54 H new ATOM 0 HG2 MET A 128 10.217 4.264 -2.231 1.00 0.53 H new ATOM 0 HG3 MET A 128 10.244 5.118 -3.761 1.00 0.53 H new ATOM 0 HE1 MET A 128 9.953 2.513 -6.454 1.00 1.63 H new ATOM 0 HE2 MET A 128 10.654 4.072 -5.958 1.00 1.63 H new ATOM 0 HE3 MET A 128 11.614 2.580 -5.817 1.00 1.63 H new ATOM 1908 N SER A 129 11.676 7.458 -4.195 1.00 0.46 N ATOM 1909 CA SER A 129 11.526 8.346 -5.339 1.00 0.56 C ATOM 1910 C SER A 129 12.621 9.397 -5.358 1.00 0.62 C ATOM 1911 O SER A 129 13.207 9.693 -6.403 1.00 0.91 O ATOM 1912 CB SER A 129 10.158 9.020 -5.350 1.00 0.75 C ATOM 1913 OG SER A 129 9.919 9.671 -6.585 1.00 1.11 O ATOM 0 H SER A 129 10.997 7.608 -3.448 1.00 0.46 H new ATOM 0 HA SER A 129 11.611 7.732 -6.236 1.00 0.56 H new ATOM 0 HB2 SER A 129 9.381 8.276 -5.171 1.00 0.75 H new ATOM 0 HB3 SER A 129 10.099 9.744 -4.537 1.00 0.75 H new ATOM 0 HG SER A 129 9.035 10.094 -6.566 1.00 1.11 H new ATOM 1919 N MET A 130 12.895 9.946 -4.193 1.00 0.61 N ATOM 1920 CA MET A 130 13.904 10.974 -4.043 1.00 0.70 C ATOM 1921 C MET A 130 15.288 10.345 -4.063 1.00 0.96 C ATOM 1922 O MET A 130 15.623 9.532 -3.199 1.00 1.30 O ATOM 1923 CB MET A 130 13.703 11.756 -2.740 1.00 0.85 C ATOM 1924 CG MET A 130 12.398 12.542 -2.658 1.00 2.09 C ATOM 1925 SD MET A 130 12.247 13.838 -3.911 1.00 3.01 S ATOM 1926 CE MET A 130 11.446 12.955 -5.251 1.00 3.86 C ATOM 0 H MET A 130 12.425 9.693 -3.324 1.00 0.61 H new ATOM 0 HA MET A 130 13.810 11.671 -4.876 1.00 0.70 H new ATOM 0 HB2 MET A 130 13.743 11.057 -1.904 1.00 0.85 H new ATOM 0 HB3 MET A 130 14.536 12.448 -2.617 1.00 0.85 H new ATOM 0 HG2 MET A 130 11.561 11.851 -2.761 1.00 2.09 H new ATOM 0 HG3 MET A 130 12.318 12.994 -1.669 1.00 2.09 H new ATOM 0 HE1 MET A 130 12.155 12.809 -6.066 1.00 3.86 H new ATOM 0 HE2 MET A 130 11.101 11.985 -4.893 1.00 3.86 H new ATOM 0 HE3 MET A 130 10.594 13.533 -5.610 1.00 3.86 H new ATOM 1936 N LYS A 131 16.079 10.706 -5.055 1.00 1.29 N ATOM 1937 CA LYS A 131 17.413 10.150 -5.204 1.00 1.78 C ATOM 1938 C LYS A 131 18.418 10.998 -4.439 1.00 2.07 C ATOM 1939 O LYS A 131 18.834 12.045 -4.972 1.00 2.37 O ATOM 1940 CB LYS A 131 17.797 10.073 -6.684 1.00 2.34 C ATOM 1941 CG LYS A 131 16.772 9.349 -7.544 1.00 2.54 C ATOM 1942 CD LYS A 131 16.547 7.922 -7.071 1.00 3.36 C ATOM 1943 CE LYS A 131 15.524 7.204 -7.937 1.00 3.86 C ATOM 1944 NZ LYS A 131 15.979 7.090 -9.347 1.00 4.40 N ATOM 1945 OXT LYS A 131 18.781 10.620 -3.304 1.00 2.62 O ATOM 0 H LYS A 131 15.821 11.384 -5.772 1.00 1.29 H new ATOM 0 HA LYS A 131 17.421 9.140 -4.794 1.00 1.78 H new ATOM 0 HB2 LYS A 131 17.932 11.084 -7.068 1.00 2.34 H new ATOM 0 HB3 LYS A 131 18.758 9.566 -6.775 1.00 2.34 H new ATOM 0 HG2 LYS A 131 15.828 9.893 -7.520 1.00 2.54 H new ATOM 0 HG3 LYS A 131 17.109 9.340 -8.581 1.00 2.54 H new ATOM 0 HD2 LYS A 131 17.491 7.377 -7.093 1.00 3.36 H new ATOM 0 HD3 LYS A 131 16.207 7.930 -6.035 1.00 3.36 H new ATOM 0 HE2 LYS A 131 15.340 6.209 -7.533 1.00 3.86 H new ATOM 0 HE3 LYS A 131 14.577 7.742 -7.903 1.00 3.86 H new ATOM 0 HZ1 LYS A 131 15.383 6.401 -9.849 1.00 4.40 H new ATOM 0 HZ2 LYS A 131 15.904 8.017 -9.812 1.00 4.40 H new ATOM 0 HZ3 LYS A 131 16.969 6.772 -9.368 1.00 4.40 H new TER 1959 LYS A 131