USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 817 hydrogens (4 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 NoAdj-H: A 10 SEP H2 : A 10 SEP N : A 9 LEU C :(H bumps) USER MOD Set 1.1: A 35 TYR OH : rot 59:sc= 0.702 USER MOD Set 1.2: A 61 ASN : amide:sc= 0.0308 X(o=0.81,f=1.2) USER MOD Set 1.3: A 89 GLN : amide:sc= 0.073 X(o=0.81,f=0.37) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 1.02 USER MOD Set 2.2: A 32 LYS NZ :NH3+ 150:sc= 1.2 (180deg=-0.0492) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.164 X(o=0.16,f=-0.061) USER MOD Set 4.1: A 4 GLN : amide:sc= 0.752 K(o=1.6,f=-0.1) USER MOD Set 4.2: A 79 TYR OH : rot -173:sc= 0.857 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.139 (180deg=-0.636) USER MOD Single : A 6 GLN : amide:sc= -2.32! C(o=-2.3!,f=-3.7!) USER MOD Single : A 8 SER OG : rot -110:sc= -3.1! USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 MET N :NH3+ 165:sc= 1.33 (180deg=0.884) USER MOD Single : A 11 THR OG1 : rot 150:sc= 0.133 USER MOD Single : A 12 SER OG : rot 57:sc=0.000642 USER MOD Single : A 15 SER OG : rot -19:sc= 0.364 USER MOD Single : A 17 TYR OH : rot -93:sc= 0.0498 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 110:sc= -0.342 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0821) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= -0.0447 (180deg=-0.179) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ -141:sc= -2.59! (180deg=-5.13!) USER MOD Single : A 47 ASN : amide:sc= 0.856 K(o=0.86,f=-0.0031) USER MOD Single : A 50 ASN : amide:sc= 0.217 K(o=0.22,f=-7.4!) USER MOD Single : A 56 LYS NZ :NH3+ -117:sc= 1.25 (180deg=-0.635) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -10.1! C(o=-10!,f=-9.9!) USER MOD Single : A 64 HIS : no HE2:sc= -3.16! C(o=-3.2!,f=-6.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= 1.05 (180deg=0.272) USER MOD Single : A 74 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 143:sc= 1.15 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.6) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.116 F(o=-0.86,f=-0.12) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 -21.564 8.069 -7.727 1.00 12.65 N ATOM 2 CA MET A -4 -20.105 7.885 -7.538 1.00 12.53 C ATOM 3 C MET A -4 -19.587 8.798 -6.433 1.00 12.44 C ATOM 4 O MET A -4 -18.928 8.345 -5.498 1.00 12.69 O ATOM 5 CB MET A -4 -19.342 8.172 -8.837 1.00 12.61 C ATOM 6 CG MET A -4 -19.554 7.140 -9.936 1.00 12.98 C ATOM 7 SD MET A -4 -21.247 7.108 -10.562 1.00 13.01 S ATOM 8 CE MET A -4 -21.099 5.881 -11.862 1.00 13.01 C ATOM 0 H1 MET A -4 -21.853 7.643 -8.631 1.00 12.65 H new ATOM 0 H2 MET A -4 -22.076 7.608 -6.948 1.00 12.65 H new ATOM 0 H3 MET A -4 -21.788 9.085 -7.735 1.00 12.65 H new ATOM 0 HA MET A -4 -19.938 6.846 -7.253 1.00 12.53 H new ATOM 0 HB2 MET A -4 -19.643 9.150 -9.212 1.00 12.61 H new ATOM 0 HB3 MET A -4 -18.277 8.231 -8.612 1.00 12.61 H new ATOM 0 HG2 MET A -4 -18.872 7.351 -10.760 1.00 12.98 H new ATOM 0 HG3 MET A -4 -19.296 6.153 -9.553 1.00 12.98 H new ATOM 0 HE1 MET A -4 -22.066 5.747 -12.347 1.00 13.01 H new ATOM 0 HE2 MET A -4 -20.367 6.216 -12.597 1.00 13.01 H new ATOM 0 HE3 MET A -4 -20.774 4.933 -11.433 1.00 13.01 H new ATOM 20 N ARG A -3 -19.882 10.085 -6.547 1.00 12.29 N ATOM 21 CA ARG A -3 -19.424 11.063 -5.573 1.00 12.43 C ATOM 22 C ARG A -3 -20.610 11.839 -5.018 1.00 12.49 C ATOM 23 O ARG A -3 -21.256 12.600 -5.740 1.00 13.19 O ATOM 24 CB ARG A -3 -18.428 12.031 -6.215 1.00 12.66 C ATOM 25 CG ARG A -3 -17.264 11.344 -6.909 1.00 13.08 C ATOM 26 CD ARG A -3 -16.310 12.353 -7.522 1.00 13.33 C ATOM 27 NE ARG A -3 -15.228 11.704 -8.256 1.00 13.68 N ATOM 28 CZ ARG A -3 -13.956 11.703 -7.862 1.00 13.98 C ATOM 29 NH1 ARG A -3 -13.604 12.313 -6.734 1.00 13.97 N ATOM 30 NH2 ARG A -3 -13.038 11.080 -8.591 1.00 14.46 N ATOM 0 H ARG A -3 -20.438 10.476 -7.307 1.00 12.29 H new ATOM 0 HA ARG A -3 -18.926 10.535 -4.759 1.00 12.43 H new ATOM 0 HB2 ARG A -3 -18.955 12.652 -6.939 1.00 12.66 H new ATOM 0 HB3 ARG A -3 -18.038 12.698 -5.447 1.00 12.66 H new ATOM 0 HG2 ARG A -3 -16.727 10.722 -6.193 1.00 13.08 H new ATOM 0 HG3 ARG A -3 -17.643 10.680 -7.686 1.00 13.08 H new ATOM 0 HD2 ARG A -3 -16.861 13.011 -8.194 1.00 13.33 H new ATOM 0 HD3 ARG A -3 -15.890 12.980 -6.735 1.00 13.33 H new ATOM 0 HE ARG A -3 -15.461 11.222 -9.124 1.00 13.68 H new ATOM 0 HH11 ARG A -3 -14.309 12.784 -6.167 1.00 13.97 H new ATOM 0 HH12 ARG A -3 -12.629 12.310 -6.436 1.00 13.97 H new ATOM 0 HH21 ARG A -3 -13.307 10.603 -9.451 1.00 14.46 H new ATOM 0 HH22 ARG A -3 -12.063 11.078 -8.291 1.00 14.46 H new ATOM 44 N SER A -2 -20.909 11.627 -3.750 1.00 11.93 N ATOM 45 CA SER A -2 -22.031 12.296 -3.111 1.00 12.17 C ATOM 46 C SER A -2 -21.541 13.327 -2.096 1.00 11.88 C ATOM 47 O SER A -2 -20.849 12.984 -1.137 1.00 11.14 O ATOM 48 CB SER A -2 -22.930 11.266 -2.430 1.00 12.01 C ATOM 49 OG SER A -2 -23.352 10.272 -3.351 1.00 11.89 O ATOM 0 H SER A -2 -20.390 10.996 -3.139 1.00 11.93 H new ATOM 0 HA SER A -2 -22.605 12.820 -3.876 1.00 12.17 H new ATOM 0 HB2 SER A -2 -22.393 10.798 -1.605 1.00 12.01 H new ATOM 0 HB3 SER A -2 -23.800 11.764 -2.002 1.00 12.01 H new ATOM 0 HG SER A -2 -23.925 9.623 -2.892 1.00 11.89 H new ATOM 55 N PRO A -1 -21.882 14.610 -2.310 1.00 12.62 N ATOM 56 CA PRO A -1 -21.519 15.695 -1.392 1.00 12.63 C ATOM 57 C PRO A -1 -21.996 15.421 0.031 1.00 12.19 C ATOM 58 O PRO A -1 -23.196 15.297 0.286 1.00 12.50 O ATOM 59 CB PRO A -1 -22.237 16.916 -1.973 1.00 13.78 C ATOM 60 CG PRO A -1 -22.441 16.590 -3.411 1.00 14.31 C ATOM 61 CD PRO A -1 -22.645 15.103 -3.471 1.00 13.65 C ATOM 0 HA PRO A -1 -20.439 15.823 -1.316 1.00 12.63 H new ATOM 0 HB2 PRO A -1 -23.187 17.093 -1.469 1.00 13.78 H new ATOM 0 HB3 PRO A -1 -21.640 17.820 -1.853 1.00 13.78 H new ATOM 0 HG2 PRO A -1 -23.305 17.119 -3.813 1.00 14.31 H new ATOM 0 HG3 PRO A -1 -21.578 16.890 -4.006 1.00 14.31 H new ATOM 0 HD2 PRO A -1 -23.700 14.838 -3.401 1.00 13.65 H new ATOM 0 HD3 PRO A -1 -22.272 14.683 -4.405 1.00 13.65 H new ATOM 69 N GLY A 0 -21.047 15.307 0.948 1.00 11.64 N ATOM 70 CA GLY A 0 -21.368 14.986 2.323 1.00 11.36 C ATOM 71 C GLY A 0 -20.763 13.663 2.734 1.00 10.34 C ATOM 72 O GLY A 0 -20.514 13.420 3.917 1.00 10.25 O ATOM 0 H GLY A 0 -20.052 15.432 0.762 1.00 11.64 H new ATOM 0 HA2 GLY A 0 -21.000 15.776 2.978 1.00 11.36 H new ATOM 0 HA3 GLY A 0 -22.450 14.947 2.447 1.00 11.36 H new ATOM 76 N MET A 1 -20.538 12.802 1.752 1.00 9.76 N ATOM 77 CA MET A 1 -19.882 11.527 1.980 1.00 8.91 C ATOM 78 C MET A 1 -18.628 11.452 1.128 1.00 7.94 C ATOM 79 O MET A 1 -18.711 11.473 -0.100 1.00 7.83 O ATOM 80 CB MET A 1 -20.809 10.356 1.634 1.00 9.07 C ATOM 81 CG MET A 1 -22.083 10.308 2.462 1.00 9.23 C ATOM 82 SD MET A 1 -23.084 8.845 2.118 1.00 9.52 S ATOM 83 CE MET A 1 -23.401 9.048 0.367 1.00 10.00 C ATOM 0 H MET A 1 -20.804 12.968 0.781 1.00 9.76 H new ATOM 0 HA MET A 1 -19.624 11.454 3.037 1.00 8.91 H new ATOM 0 HB2 MET A 1 -21.076 10.417 0.579 1.00 9.07 H new ATOM 0 HB3 MET A 1 -20.264 9.422 1.771 1.00 9.07 H new ATOM 0 HG2 MET A 1 -21.824 10.325 3.521 1.00 9.23 H new ATOM 0 HG3 MET A 1 -22.674 11.202 2.264 1.00 9.23 H new ATOM 0 HE1 MET A 1 -24.224 8.399 0.069 1.00 10.00 H new ATOM 0 HE2 MET A 1 -23.665 10.086 0.163 1.00 10.00 H new ATOM 0 HE3 MET A 1 -22.507 8.784 -0.198 1.00 10.00 H new ATOM 93 N ALA A 2 -17.474 11.385 1.778 1.00 7.42 N ATOM 94 CA ALA A 2 -16.200 11.336 1.074 1.00 6.49 C ATOM 95 C ALA A 2 -16.192 10.205 0.058 1.00 5.57 C ATOM 96 O ALA A 2 -16.598 9.081 0.362 1.00 5.73 O ATOM 97 CB ALA A 2 -15.052 11.178 2.054 1.00 6.46 C ATOM 0 H ALA A 2 -17.394 11.363 2.795 1.00 7.42 H new ATOM 0 HA ALA A 2 -16.069 12.278 0.541 1.00 6.49 H new ATOM 0 HB1 ALA A 2 -14.109 11.144 1.508 1.00 6.46 H new ATOM 0 HB2 ALA A 2 -15.042 12.023 2.742 1.00 6.46 H new ATOM 0 HB3 ALA A 2 -15.179 10.253 2.617 1.00 6.46 H new ATOM 103 N ASP A 3 -15.751 10.515 -1.150 1.00 4.82 N ATOM 104 CA ASP A 3 -15.772 9.550 -2.236 1.00 4.07 C ATOM 105 C ASP A 3 -14.829 8.389 -1.958 1.00 3.42 C ATOM 106 O ASP A 3 -13.802 8.541 -1.289 1.00 3.36 O ATOM 107 CB ASP A 3 -15.401 10.213 -3.568 1.00 3.92 C ATOM 108 CG ASP A 3 -13.957 10.672 -3.616 1.00 3.91 C ATOM 109 OD1 ASP A 3 -13.682 11.821 -3.207 1.00 4.23 O ATOM 110 OD2 ASP A 3 -13.094 9.888 -4.066 1.00 4.05 O ATOM 0 H ASP A 3 -15.374 11.428 -1.403 1.00 4.82 H new ATOM 0 HA ASP A 3 -16.789 9.163 -2.307 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -15.581 9.509 -4.381 1.00 3.92 H new ATOM 0 HB3 ASP A 3 -16.055 11.069 -3.737 1.00 3.92 H new ATOM 115 N GLN A 4 -15.202 7.230 -2.465 1.00 3.34 N ATOM 116 CA GLN A 4 -14.390 6.033 -2.351 1.00 3.48 C ATOM 117 C GLN A 4 -13.665 5.770 -3.658 1.00 2.99 C ATOM 118 O GLN A 4 -13.111 4.692 -3.874 1.00 3.54 O ATOM 119 CB GLN A 4 -15.270 4.842 -2.020 1.00 4.26 C ATOM 120 CG GLN A 4 -15.872 4.879 -0.628 1.00 4.71 C ATOM 121 CD GLN A 4 -16.866 3.758 -0.407 1.00 5.51 C ATOM 122 OE1 GLN A 4 -16.502 2.663 0.020 1.00 5.74 O ATOM 123 NE2 GLN A 4 -18.129 4.022 -0.702 1.00 6.23 N ATOM 0 H GLN A 4 -16.078 7.091 -2.969 1.00 3.34 H new ATOM 0 HA GLN A 4 -13.660 6.180 -1.555 1.00 3.48 H new ATOM 0 HB2 GLN A 4 -16.077 4.787 -2.751 1.00 4.26 H new ATOM 0 HB3 GLN A 4 -14.682 3.930 -2.125 1.00 4.26 H new ATOM 0 HG2 GLN A 4 -15.076 4.808 0.113 1.00 4.71 H new ATOM 0 HG3 GLN A 4 -16.367 5.838 -0.473 1.00 4.71 H new ATOM 0 HE21 GLN A 4 -18.389 4.944 -1.054 1.00 6.23 H new ATOM 0 HE22 GLN A 4 -18.843 3.304 -0.578 1.00 6.23 H new ATOM 132 N ARG A 5 -13.681 6.771 -4.521 1.00 2.50 N ATOM 133 CA ARG A 5 -13.143 6.657 -5.861 1.00 2.68 C ATOM 134 C ARG A 5 -11.626 6.803 -5.894 1.00 2.06 C ATOM 135 O ARG A 5 -11.015 6.704 -6.957 1.00 2.58 O ATOM 136 CB ARG A 5 -13.789 7.693 -6.754 1.00 3.25 C ATOM 137 CG ARG A 5 -15.127 7.237 -7.299 1.00 4.11 C ATOM 138 CD ARG A 5 -14.988 5.977 -8.138 1.00 4.98 C ATOM 139 NE ARG A 5 -14.066 6.149 -9.258 1.00 5.72 N ATOM 140 CZ ARG A 5 -13.107 5.276 -9.571 1.00 6.72 C ATOM 141 NH1 ARG A 5 -12.900 4.211 -8.806 1.00 7.07 N ATOM 142 NH2 ARG A 5 -12.346 5.474 -10.637 1.00 7.54 N ATOM 0 H ARG A 5 -14.070 7.690 -4.308 1.00 2.50 H new ATOM 0 HA ARG A 5 -13.372 5.656 -6.226 1.00 2.68 H new ATOM 0 HB2 ARG A 5 -13.925 8.617 -6.193 1.00 3.25 H new ATOM 0 HB3 ARG A 5 -13.120 7.920 -7.584 1.00 3.25 H new ATOM 0 HG2 ARG A 5 -15.813 7.051 -6.473 1.00 4.11 H new ATOM 0 HG3 ARG A 5 -15.564 8.031 -7.904 1.00 4.11 H new ATOM 0 HD2 ARG A 5 -14.639 5.160 -7.506 1.00 4.98 H new ATOM 0 HD3 ARG A 5 -15.968 5.688 -8.519 1.00 4.98 H new ATOM 0 HE ARG A 5 -14.161 6.985 -9.834 1.00 5.72 H new ATOM 0 HH11 ARG A 5 -13.475 4.059 -7.977 1.00 7.07 H new ATOM 0 HH12 ARG A 5 -12.166 3.545 -9.047 1.00 7.07 H new ATOM 0 HH21 ARG A 5 -12.492 6.297 -11.222 1.00 7.54 H new ATOM 0 HH22 ARG A 5 -11.614 4.804 -10.873 1.00 7.54 H new ATOM 156 N GLN A 6 -11.042 7.067 -4.729 1.00 1.28 N ATOM 157 CA GLN A 6 -9.588 7.106 -4.554 1.00 0.78 C ATOM 158 C GLN A 6 -8.967 8.299 -5.285 1.00 0.83 C ATOM 159 O GLN A 6 -8.845 8.314 -6.510 1.00 1.14 O ATOM 160 CB GLN A 6 -8.955 5.783 -4.994 1.00 0.87 C ATOM 161 CG GLN A 6 -9.506 4.574 -4.239 1.00 0.82 C ATOM 162 CD GLN A 6 -10.152 3.546 -5.153 1.00 1.10 C ATOM 163 OE1 GLN A 6 -10.653 3.873 -6.227 1.00 1.97 O ATOM 164 NE2 GLN A 6 -10.163 2.295 -4.720 1.00 1.15 N ATOM 0 H GLN A 6 -11.563 7.261 -3.874 1.00 1.28 H new ATOM 0 HA GLN A 6 -9.380 7.240 -3.492 1.00 0.78 H new ATOM 0 HB2 GLN A 6 -9.123 5.644 -6.062 1.00 0.87 H new ATOM 0 HB3 GLN A 6 -7.876 5.836 -4.845 1.00 0.87 H new ATOM 0 HG2 GLN A 6 -8.697 4.100 -3.683 1.00 0.82 H new ATOM 0 HG3 GLN A 6 -10.239 4.913 -3.507 1.00 0.82 H new ATOM 0 HE21 GLN A 6 -9.737 2.062 -3.823 1.00 1.15 H new ATOM 0 HE22 GLN A 6 -10.598 1.564 -5.283 1.00 1.15 H new ATOM 173 N ARG A 7 -8.585 9.300 -4.504 1.00 0.84 N ATOM 174 CA ARG A 7 -8.139 10.585 -5.033 1.00 1.03 C ATOM 175 C ARG A 7 -6.740 10.973 -4.564 1.00 0.98 C ATOM 176 O ARG A 7 -6.221 12.019 -4.947 1.00 1.17 O ATOM 177 CB ARG A 7 -9.138 11.660 -4.606 1.00 1.18 C ATOM 178 CG ARG A 7 -9.711 11.441 -3.209 1.00 1.16 C ATOM 179 CD ARG A 7 -8.680 11.602 -2.100 1.00 1.14 C ATOM 180 NE ARG A 7 -9.248 11.265 -0.799 1.00 1.61 N ATOM 181 CZ ARG A 7 -8.562 11.244 0.340 1.00 1.80 C ATOM 182 NH1 ARG A 7 -7.288 11.622 0.372 1.00 1.51 N ATOM 183 NH2 ARG A 7 -9.168 10.861 1.453 1.00 2.67 N ATOM 0 H ARG A 7 -8.575 9.246 -3.485 1.00 0.84 H new ATOM 0 HA ARG A 7 -8.091 10.497 -6.118 1.00 1.03 H new ATOM 0 HB2 ARG A 7 -8.648 12.633 -4.640 1.00 1.18 H new ATOM 0 HB3 ARG A 7 -9.957 11.689 -5.325 1.00 1.18 H new ATOM 0 HG2 ARG A 7 -10.525 12.147 -3.043 1.00 1.16 H new ATOM 0 HG3 ARG A 7 -10.140 10.441 -3.153 1.00 1.16 H new ATOM 0 HD2 ARG A 7 -7.822 10.961 -2.302 1.00 1.14 H new ATOM 0 HD3 ARG A 7 -8.315 12.629 -2.085 1.00 1.14 H new ATOM 0 HE ARG A 7 -10.240 11.029 -0.760 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -6.827 11.932 -0.483 1.00 1.51 H new ATOM 0 HH12 ARG A 7 -6.772 11.602 1.252 1.00 1.51 H new ATOM 0 HH21 ARG A 7 -10.150 10.586 1.430 1.00 2.67 H new ATOM 0 HH22 ARG A 7 -8.653 10.841 2.333 1.00 2.67 H new ATOM 197 N SER A 8 -6.133 10.143 -3.740 1.00 0.77 N ATOM 198 CA SER A 8 -4.869 10.478 -3.133 1.00 0.75 C ATOM 199 C SER A 8 -3.690 9.890 -3.901 1.00 0.75 C ATOM 200 O SER A 8 -2.906 10.619 -4.512 1.00 1.06 O ATOM 201 CB SER A 8 -4.899 9.941 -1.720 1.00 0.65 C ATOM 202 OG SER A 8 -5.708 8.779 -1.650 1.00 1.38 O ATOM 0 H SER A 8 -6.500 9.228 -3.477 1.00 0.77 H new ATOM 0 HA SER A 8 -4.732 11.559 -3.144 1.00 0.75 H new ATOM 0 HB2 SER A 8 -3.886 9.707 -1.392 1.00 0.65 H new ATOM 0 HB3 SER A 8 -5.286 10.703 -1.043 1.00 0.65 H new ATOM 0 HG SER A 8 -6.527 8.980 -1.150 1.00 1.38 H new ATOM 208 N LEU A 9 -3.570 8.579 -3.865 1.00 0.54 N ATOM 209 CA LEU A 9 -2.505 7.889 -4.570 1.00 0.53 C ATOM 210 C LEU A 9 -3.041 7.244 -5.850 1.00 0.55 C ATOM 211 O LEU A 9 -4.165 7.527 -6.268 1.00 0.59 O ATOM 212 CB LEU A 9 -1.814 6.849 -3.654 1.00 0.44 C ATOM 213 CG LEU A 9 -2.704 5.888 -2.841 1.00 0.35 C ATOM 214 CD1 LEU A 9 -3.187 6.533 -1.553 1.00 0.66 C ATOM 215 CD2 LEU A 9 -3.888 5.404 -3.656 1.00 0.65 C ATOM 0 H LEU A 9 -4.201 7.964 -3.351 1.00 0.54 H new ATOM 0 HA LEU A 9 -1.749 8.621 -4.855 1.00 0.53 H new ATOM 0 HB2 LEU A 9 -1.153 6.245 -4.276 1.00 0.44 H new ATOM 0 HB3 LEU A 9 -1.182 7.392 -2.951 1.00 0.44 H new ATOM 0 HG LEU A 9 -2.088 5.026 -2.584 1.00 0.35 H new ATOM 0 HD11 LEU A 9 -3.812 5.828 -1.005 1.00 0.66 H new ATOM 0 HD12 LEU A 9 -2.329 6.810 -0.941 1.00 0.66 H new ATOM 0 HD13 LEU A 9 -3.768 7.425 -1.788 1.00 0.66 H new ATOM 0 HD21 LEU A 9 -4.494 4.729 -3.052 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -4.492 6.258 -3.962 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -3.530 4.877 -4.540 1.00 0.65 H new HETATM 227 N SEP A 10 -2.252 6.370 -6.455 1.00 0.56 N HETATM 228 CA SEP A 10 -2.666 5.686 -7.666 1.00 0.60 C HETATM 229 CB SEP A 10 -1.502 5.577 -8.653 1.00 0.74 C HETATM 230 OG SEP A 10 -0.901 6.843 -8.888 1.00 1.08 O HETATM 231 C SEP A 10 -3.161 4.301 -7.298 1.00 0.47 C HETATM 232 O SEP A 10 -2.373 3.444 -6.897 1.00 0.46 O HETATM 233 P SEP A 10 0.683 6.658 -8.635 1.00 1.55 P HETATM 234 O1P SEP A 10 0.884 6.147 -7.156 1.00 2.41 O HETATM 235 O2P SEP A 10 1.344 8.101 -8.669 1.00 2.39 O HETATM 236 O3P SEP A 10 1.207 5.736 -9.685 1.00 2.04 O HETATM 0 HB3 SEP A 10 -0.756 4.885 -8.263 1.00 0.74 H new HETATM 0 HB2 SEP A 10 -1.860 5.162 -9.595 1.00 0.74 H new HETATM 0 HA SEP A 10 -3.463 6.255 -8.145 1.00 0.60 H new HETATM 0 H SEP A 10 -1.292 6.701 -6.359 1.00 0.56 H new ATOM 241 N THR A 11 -4.459 4.090 -7.404 1.00 0.43 N ATOM 242 CA THR A 11 -5.055 2.845 -6.973 1.00 0.36 C ATOM 243 C THR A 11 -4.856 1.726 -7.984 1.00 0.37 C ATOM 244 O THR A 11 -5.732 1.427 -8.793 1.00 0.44 O ATOM 245 CB THR A 11 -6.544 3.036 -6.683 1.00 0.44 C ATOM 246 OG1 THR A 11 -6.945 4.353 -7.083 1.00 0.60 O ATOM 247 CG2 THR A 11 -6.810 2.846 -5.204 1.00 0.54 C ATOM 0 H THR A 11 -5.120 4.767 -7.786 1.00 0.43 H new ATOM 0 HA THR A 11 -4.544 2.548 -6.057 1.00 0.36 H new ATOM 0 HB THR A 11 -7.117 2.298 -7.244 1.00 0.44 H new ATOM 0 HG1 THR A 11 -7.886 4.339 -7.357 1.00 0.60 H new ATOM 0 HG21 THR A 11 -7.873 2.984 -5.005 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.512 1.840 -4.907 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.237 3.577 -4.634 1.00 0.54 H new ATOM 255 N SER A 12 -3.683 1.128 -7.939 1.00 0.36 N ATOM 256 CA SER A 12 -3.377 -0.022 -8.757 1.00 0.40 C ATOM 257 C SER A 12 -2.673 -1.079 -7.918 1.00 0.34 C ATOM 258 O SER A 12 -1.449 -1.212 -7.950 1.00 0.41 O ATOM 259 CB SER A 12 -2.521 0.400 -9.953 1.00 0.53 C ATOM 260 OG SER A 12 -1.531 1.337 -9.558 1.00 1.26 O ATOM 0 H SER A 12 -2.918 1.427 -7.334 1.00 0.36 H new ATOM 0 HA SER A 12 -4.302 -0.453 -9.141 1.00 0.40 H new ATOM 0 HB2 SER A 12 -2.044 -0.476 -10.392 1.00 0.53 H new ATOM 0 HB3 SER A 12 -3.155 0.838 -10.724 1.00 0.53 H new ATOM 0 HG SER A 12 -0.983 0.952 -8.843 1.00 1.26 H new ATOM 266 N GLY A 13 -3.464 -1.821 -7.147 1.00 0.28 N ATOM 267 CA GLY A 13 -2.911 -2.849 -6.284 1.00 0.29 C ATOM 268 C GLY A 13 -2.251 -3.962 -7.065 1.00 0.27 C ATOM 269 O GLY A 13 -1.474 -4.742 -6.521 1.00 0.27 O ATOM 0 H GLY A 13 -4.479 -1.728 -7.105 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -2.182 -2.400 -5.610 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.705 -3.265 -5.664 1.00 0.29 H new ATOM 273 N GLU A 14 -2.547 -4.011 -8.354 1.00 0.28 N ATOM 274 CA GLU A 14 -2.023 -5.045 -9.231 1.00 0.26 C ATOM 275 C GLU A 14 -0.502 -4.942 -9.389 1.00 0.20 C ATOM 276 O GLU A 14 0.154 -5.896 -9.800 1.00 0.23 O ATOM 277 CB GLU A 14 -2.707 -4.949 -10.598 1.00 0.32 C ATOM 278 CG GLU A 14 -2.663 -3.553 -11.203 1.00 0.35 C ATOM 279 CD GLU A 14 -3.407 -3.463 -12.516 1.00 0.95 C ATOM 280 OE1 GLU A 14 -2.785 -3.700 -13.572 1.00 0.99 O ATOM 281 OE2 GLU A 14 -4.617 -3.155 -12.501 1.00 1.60 O ATOM 0 H GLU A 14 -3.155 -3.338 -8.820 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.236 -6.014 -8.779 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.230 -5.649 -11.284 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.747 -5.260 -10.498 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -3.092 -2.842 -10.497 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.624 -3.261 -11.358 1.00 0.35 H new ATOM 288 N SER A 15 0.052 -3.786 -9.052 1.00 0.21 N ATOM 289 CA SER A 15 1.486 -3.557 -9.173 1.00 0.22 C ATOM 290 C SER A 15 2.228 -4.024 -7.919 1.00 0.19 C ATOM 291 O SER A 15 3.450 -4.068 -7.909 1.00 0.22 O ATOM 292 CB SER A 15 1.765 -2.074 -9.450 1.00 0.31 C ATOM 293 OG SER A 15 3.155 -1.801 -9.539 1.00 0.74 O ATOM 0 H SER A 15 -0.472 -2.989 -8.691 1.00 0.21 H new ATOM 0 HA SER A 15 1.855 -4.144 -10.014 1.00 0.22 H new ATOM 0 HB2 SER A 15 1.278 -1.781 -10.380 1.00 0.31 H new ATOM 0 HB3 SER A 15 1.327 -1.469 -8.657 1.00 0.31 H new ATOM 0 HG SER A 15 3.659 -2.530 -9.121 1.00 0.74 H new ATOM 299 N LEU A 16 1.474 -4.379 -6.874 1.00 0.16 N ATOM 300 CA LEU A 16 2.033 -4.725 -5.557 1.00 0.14 C ATOM 301 C LEU A 16 3.308 -5.558 -5.635 1.00 0.14 C ATOM 302 O LEU A 16 4.347 -5.146 -5.123 1.00 0.16 O ATOM 303 CB LEU A 16 0.988 -5.464 -4.729 1.00 0.16 C ATOM 304 CG LEU A 16 0.384 -4.655 -3.589 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.261 -3.188 -3.975 1.00 0.16 C ATOM 306 CD2 LEU A 16 -0.970 -5.225 -3.216 1.00 0.18 C ATOM 0 H LEU A 16 0.456 -4.436 -6.914 1.00 0.16 H new ATOM 0 HA LEU A 16 2.304 -3.783 -5.080 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.185 -5.788 -5.390 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.443 -6.364 -4.315 1.00 0.16 H new ATOM 0 HG LEU A 16 1.044 -4.720 -2.724 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.173 -2.629 -3.146 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.249 -2.788 -4.205 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.381 -3.095 -4.851 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.398 -4.643 -2.400 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.634 -5.181 -4.080 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.854 -6.262 -2.900 1.00 0.18 H new ATOM 318 N TYR A 17 3.237 -6.719 -6.273 1.00 0.17 N ATOM 319 CA TYR A 17 4.403 -7.592 -6.375 1.00 0.20 C ATOM 320 C TYR A 17 5.557 -6.914 -7.110 1.00 0.24 C ATOM 321 O TYR A 17 6.719 -7.138 -6.785 1.00 0.34 O ATOM 322 CB TYR A 17 4.050 -8.925 -7.046 1.00 0.25 C ATOM 323 CG TYR A 17 3.067 -8.831 -8.192 1.00 0.63 C ATOM 324 CD1 TYR A 17 3.498 -8.457 -9.459 1.00 1.22 C ATOM 325 CD2 TYR A 17 1.716 -9.094 -8.010 1.00 0.69 C ATOM 326 CE1 TYR A 17 2.613 -8.346 -10.509 1.00 1.66 C ATOM 327 CE2 TYR A 17 0.823 -8.990 -9.060 1.00 1.08 C ATOM 328 CZ TYR A 17 1.248 -8.702 -10.288 1.00 1.53 C ATOM 329 OH TYR A 17 0.396 -8.503 -11.356 1.00 1.99 O ATOM 0 H TYR A 17 2.395 -7.077 -6.724 1.00 0.17 H new ATOM 0 HA TYR A 17 4.731 -7.799 -5.356 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.969 -9.383 -7.413 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.640 -9.596 -6.291 1.00 0.25 H new ATOM 0 HD1 TYR A 17 4.545 -8.250 -9.623 1.00 1.22 H new ATOM 0 HD2 TYR A 17 1.357 -9.384 -7.033 1.00 0.69 H new ATOM 0 HE1 TYR A 17 2.944 -7.998 -11.476 1.00 1.66 H new ATOM 0 HE2 TYR A 17 -0.231 -9.144 -8.882 1.00 1.08 H new ATOM 0 HH TYR A 17 -0.012 -7.615 -11.288 1.00 1.99 H new ATOM 339 N HIS A 18 5.235 -6.062 -8.075 1.00 0.22 N ATOM 340 CA HIS A 18 6.256 -5.361 -8.852 1.00 0.26 C ATOM 341 C HIS A 18 6.860 -4.229 -8.042 1.00 0.23 C ATOM 342 O HIS A 18 8.008 -3.839 -8.257 1.00 0.29 O ATOM 343 CB HIS A 18 5.663 -4.800 -10.153 1.00 0.31 C ATOM 344 CG HIS A 18 6.673 -4.100 -11.019 1.00 0.82 C ATOM 345 ND1 HIS A 18 6.616 -2.754 -11.307 1.00 1.62 N ATOM 346 CD2 HIS A 18 7.776 -4.568 -11.651 1.00 1.37 C ATOM 347 CE1 HIS A 18 7.638 -2.425 -12.073 1.00 1.96 C ATOM 348 NE2 HIS A 18 8.357 -3.507 -12.298 1.00 1.74 N ATOM 0 H HIS A 18 4.276 -5.838 -8.340 1.00 0.22 H new ATOM 0 HA HIS A 18 7.037 -6.080 -9.100 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.213 -5.616 -10.719 1.00 0.31 H new ATOM 0 HB3 HIS A 18 4.862 -4.103 -9.907 1.00 0.31 H new ATOM 0 HD2 HIS A 18 8.132 -5.588 -11.646 1.00 1.37 H new ATOM 0 HE1 HIS A 18 7.850 -1.436 -12.452 1.00 1.96 H new ATOM 0 HE2 HIS A 18 9.206 -3.548 -12.861 1.00 1.74 H new ATOM 357 N VAL A 19 6.077 -3.721 -7.111 1.00 0.17 N ATOM 358 CA VAL A 19 6.477 -2.605 -6.281 1.00 0.16 C ATOM 359 C VAL A 19 7.761 -2.916 -5.512 1.00 0.17 C ATOM 360 O VAL A 19 8.675 -2.088 -5.439 1.00 0.20 O ATOM 361 CB VAL A 19 5.340 -2.234 -5.299 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.827 -1.286 -4.226 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.177 -1.615 -6.052 1.00 0.19 C ATOM 0 H VAL A 19 5.141 -4.073 -6.909 1.00 0.17 H new ATOM 0 HA VAL A 19 6.675 -1.755 -6.934 1.00 0.16 H new ATOM 0 HB VAL A 19 5.005 -3.151 -4.813 1.00 0.15 H new ATOM 0 HG11 VAL A 19 5.004 -1.045 -3.553 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.632 -1.758 -3.662 1.00 0.18 H new ATOM 0 HG13 VAL A 19 6.197 -0.371 -4.689 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.384 -1.359 -5.350 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.514 -0.714 -6.564 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.797 -2.328 -6.784 1.00 0.19 H new ATOM 373 N LEU A 20 7.838 -4.122 -4.971 1.00 0.18 N ATOM 374 CA LEU A 20 8.968 -4.505 -4.129 1.00 0.24 C ATOM 375 C LEU A 20 9.704 -5.726 -4.669 1.00 0.27 C ATOM 376 O LEU A 20 10.908 -5.873 -4.459 1.00 0.33 O ATOM 377 CB LEU A 20 8.519 -4.756 -2.684 1.00 0.28 C ATOM 378 CG LEU A 20 7.015 -4.918 -2.464 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.501 -6.179 -3.133 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.705 -4.937 -0.976 1.00 0.28 C ATOM 0 H LEU A 20 7.137 -4.852 -5.097 1.00 0.18 H new ATOM 0 HA LEU A 20 9.665 -3.667 -4.142 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.017 -5.655 -2.322 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.868 -3.928 -2.068 1.00 0.28 H new ATOM 0 HG LEU A 20 6.506 -4.068 -2.918 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.429 -6.271 -2.961 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.694 -6.127 -4.205 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.011 -7.047 -2.714 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.631 -5.053 -0.830 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.227 -5.770 -0.506 1.00 0.28 H new ATOM 0 HD23 LEU A 20 7.034 -4.001 -0.524 1.00 0.28 H new ATOM 392 N GLY A 21 8.990 -6.594 -5.364 1.00 0.27 N ATOM 393 CA GLY A 21 9.593 -7.820 -5.848 1.00 0.32 C ATOM 394 C GLY A 21 9.282 -9.008 -4.959 1.00 0.34 C ATOM 395 O GLY A 21 10.111 -9.905 -4.792 1.00 0.65 O ATOM 0 H GLY A 21 8.006 -6.474 -5.603 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.237 -8.023 -6.858 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.673 -7.690 -5.911 1.00 0.32 H new ATOM 399 N LEU A 22 8.087 -9.014 -4.388 1.00 0.19 N ATOM 400 CA LEU A 22 7.637 -10.111 -3.541 1.00 0.16 C ATOM 401 C LEU A 22 6.125 -10.244 -3.689 1.00 0.17 C ATOM 402 O LEU A 22 5.459 -9.275 -4.045 1.00 0.19 O ATOM 403 CB LEU A 22 8.016 -9.847 -2.071 1.00 0.14 C ATOM 404 CG LEU A 22 8.346 -11.088 -1.216 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.561 -12.316 -2.091 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.585 -10.841 -0.372 1.00 0.18 C ATOM 0 H LEU A 22 7.405 -8.264 -4.497 1.00 0.19 H new ATOM 0 HA LEU A 22 8.121 -11.039 -3.847 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.879 -9.181 -2.055 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.193 -9.314 -1.596 1.00 0.14 H new ATOM 0 HG LEU A 22 7.495 -11.272 -0.560 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.792 -13.175 -1.462 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.656 -12.518 -2.663 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.390 -12.134 -2.775 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.802 -11.727 0.224 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.432 -10.626 -1.023 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.411 -9.992 0.290 1.00 0.18 H new ATOM 418 N ASP A 23 5.600 -11.439 -3.450 1.00 0.18 N ATOM 419 CA ASP A 23 4.161 -11.694 -3.526 1.00 0.21 C ATOM 420 C ASP A 23 3.869 -13.135 -3.222 1.00 0.23 C ATOM 421 O ASP A 23 4.229 -14.003 -4.012 1.00 0.26 O ATOM 422 CB ASP A 23 3.597 -11.420 -4.906 1.00 0.29 C ATOM 423 CG ASP A 23 2.093 -11.253 -4.898 1.00 1.05 C ATOM 424 OD1 ASP A 23 1.620 -10.138 -4.600 1.00 1.77 O ATOM 425 OD2 ASP A 23 1.377 -12.234 -5.193 1.00 1.13 O ATOM 0 H ASP A 23 6.154 -12.258 -3.199 1.00 0.18 H new ATOM 0 HA ASP A 23 3.700 -11.025 -2.800 1.00 0.21 H new ATOM 0 HB2 ASP A 23 4.057 -10.518 -5.310 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.864 -12.240 -5.573 1.00 0.29 H new ATOM 430 N LYS A 24 3.254 -13.378 -2.070 1.00 0.23 N ATOM 431 CA LYS A 24 2.696 -14.688 -1.692 1.00 0.28 C ATOM 432 C LYS A 24 3.681 -15.857 -1.832 1.00 0.28 C ATOM 433 O LYS A 24 3.304 -17.015 -1.662 1.00 0.34 O ATOM 434 CB LYS A 24 1.413 -14.957 -2.494 1.00 0.35 C ATOM 435 CG LYS A 24 1.623 -15.200 -3.977 1.00 0.37 C ATOM 436 CD LYS A 24 1.602 -16.682 -4.306 1.00 0.43 C ATOM 437 CE LYS A 24 2.865 -17.089 -5.026 1.00 0.50 C ATOM 438 NZ LYS A 24 2.925 -16.524 -6.401 1.00 1.42 N ATOM 0 H LYS A 24 3.123 -12.663 -1.354 1.00 0.23 H new ATOM 0 HA LYS A 24 2.469 -14.630 -0.628 1.00 0.28 H new ATOM 0 HB2 LYS A 24 0.910 -15.825 -2.067 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.741 -14.107 -2.372 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.845 -14.689 -4.544 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.576 -14.771 -4.286 1.00 0.37 H new ATOM 0 HD2 LYS A 24 1.498 -17.261 -3.389 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.735 -16.909 -4.926 1.00 0.43 H new ATOM 0 HE2 LYS A 24 3.732 -16.753 -4.457 1.00 0.50 H new ATOM 0 HE3 LYS A 24 2.920 -18.176 -5.077 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.807 -16.826 -6.862 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 2.112 -16.865 -6.952 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 2.899 -15.486 -6.351 1.00 1.42 H new ATOM 452 N ASN A 25 4.936 -15.558 -2.109 1.00 0.25 N ATOM 453 CA ASN A 25 5.966 -16.577 -2.135 1.00 0.28 C ATOM 454 C ASN A 25 6.667 -16.587 -0.796 1.00 0.25 C ATOM 455 O ASN A 25 7.114 -17.620 -0.301 1.00 0.31 O ATOM 456 CB ASN A 25 7.000 -16.313 -3.235 1.00 0.31 C ATOM 457 CG ASN A 25 6.520 -16.686 -4.621 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.666 -17.827 -5.051 1.00 0.40 O ATOM 459 ND2 ASN A 25 5.971 -15.726 -5.339 1.00 0.37 N ATOM 0 H ASN A 25 5.266 -14.616 -2.319 1.00 0.25 H new ATOM 0 HA ASN A 25 5.493 -17.537 -2.341 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.267 -15.256 -3.224 1.00 0.31 H new ATOM 0 HB3 ASN A 25 7.908 -16.874 -3.011 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.650 -15.919 -6.288 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.867 -14.791 -4.946 1.00 0.37 H new ATOM 466 N ALA A 26 6.737 -15.401 -0.220 1.00 0.20 N ATOM 467 CA ALA A 26 7.433 -15.176 1.023 1.00 0.19 C ATOM 468 C ALA A 26 6.482 -15.196 2.193 1.00 0.19 C ATOM 469 O ALA A 26 5.269 -15.024 2.043 1.00 0.24 O ATOM 470 CB ALA A 26 8.138 -13.843 0.967 1.00 0.18 C ATOM 0 H ALA A 26 6.307 -14.562 -0.609 1.00 0.20 H new ATOM 0 HA ALA A 26 8.158 -15.978 1.161 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.665 -13.670 1.905 1.00 0.18 H new ATOM 0 HB2 ALA A 26 8.853 -13.844 0.144 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.406 -13.051 0.811 1.00 0.18 H new ATOM 476 N THR A 27 7.056 -15.408 3.350 1.00 0.21 N ATOM 477 CA THR A 27 6.333 -15.358 4.591 1.00 0.24 C ATOM 478 C THR A 27 6.324 -13.924 5.089 1.00 0.21 C ATOM 479 O THR A 27 6.890 -13.043 4.435 1.00 0.21 O ATOM 480 CB THR A 27 7.020 -16.269 5.621 1.00 0.30 C ATOM 481 OG1 THR A 27 8.222 -15.651 6.102 1.00 0.33 O ATOM 482 CG2 THR A 27 7.384 -17.587 4.970 1.00 0.35 C ATOM 0 H THR A 27 8.048 -15.622 3.456 1.00 0.21 H new ATOM 0 HA THR A 27 5.309 -15.702 4.445 1.00 0.24 H new ATOM 0 HB THR A 27 6.334 -16.435 6.452 1.00 0.30 H new ATOM 0 HG1 THR A 27 8.651 -16.238 6.759 1.00 0.33 H new ATOM 0 HG21 THR A 27 7.871 -18.232 5.701 1.00 0.35 H new ATOM 0 HG22 THR A 27 6.480 -18.073 4.602 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.063 -17.406 4.137 1.00 0.35 H new ATOM 490 N SER A 28 5.715 -13.680 6.235 1.00 0.26 N ATOM 491 CA SER A 28 5.729 -12.353 6.825 1.00 0.32 C ATOM 492 C SER A 28 7.170 -11.935 7.126 1.00 0.31 C ATOM 493 O SER A 28 7.464 -10.760 7.310 1.00 0.41 O ATOM 494 CB SER A 28 4.872 -12.332 8.095 1.00 0.40 C ATOM 495 OG SER A 28 4.719 -11.017 8.608 1.00 1.54 O ATOM 0 H SER A 28 5.206 -14.380 6.775 1.00 0.26 H new ATOM 0 HA SER A 28 5.304 -11.639 6.119 1.00 0.32 H new ATOM 0 HB2 SER A 28 3.891 -12.754 7.878 1.00 0.40 H new ATOM 0 HB3 SER A 28 5.331 -12.967 8.853 1.00 0.40 H new ATOM 0 HG SER A 28 4.166 -11.044 9.416 1.00 1.54 H new ATOM 501 N ASP A 29 8.072 -12.909 7.137 1.00 0.27 N ATOM 502 CA ASP A 29 9.482 -12.638 7.357 1.00 0.34 C ATOM 503 C ASP A 29 10.103 -11.982 6.125 1.00 0.32 C ATOM 504 O ASP A 29 10.732 -10.934 6.234 1.00 0.44 O ATOM 505 CB ASP A 29 10.233 -13.926 7.705 1.00 0.38 C ATOM 506 CG ASP A 29 11.708 -13.693 7.971 1.00 0.97 C ATOM 507 OD1 ASP A 29 12.505 -13.737 7.011 1.00 1.68 O ATOM 508 OD2 ASP A 29 12.085 -13.487 9.144 1.00 0.96 O ATOM 0 H ASP A 29 7.849 -13.894 6.996 1.00 0.27 H new ATOM 0 HA ASP A 29 9.567 -11.949 8.198 1.00 0.34 H new ATOM 0 HB2 ASP A 29 9.777 -14.380 8.585 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.124 -14.637 6.886 1.00 0.38 H new ATOM 513 N ASP A 30 9.919 -12.580 4.946 1.00 0.22 N ATOM 514 CA ASP A 30 10.548 -12.049 3.737 1.00 0.21 C ATOM 515 C ASP A 30 9.763 -10.880 3.146 1.00 0.16 C ATOM 516 O ASP A 30 10.353 -9.855 2.797 1.00 0.17 O ATOM 517 CB ASP A 30 10.739 -13.150 2.696 1.00 0.23 C ATOM 518 CG ASP A 30 11.989 -13.972 2.923 1.00 0.89 C ATOM 519 OD1 ASP A 30 13.088 -13.488 2.592 1.00 1.81 O ATOM 520 OD2 ASP A 30 11.881 -15.096 3.457 1.00 1.22 O ATOM 0 H ASP A 30 9.351 -13.415 4.804 1.00 0.22 H new ATOM 0 HA ASP A 30 11.527 -11.668 4.026 1.00 0.21 H new ATOM 0 HB2 ASP A 30 9.871 -13.809 2.709 1.00 0.23 H new ATOM 0 HB3 ASP A 30 10.782 -12.700 1.704 1.00 0.23 H new ATOM 525 N ILE A 31 8.445 -11.041 3.025 1.00 0.14 N ATOM 526 CA ILE A 31 7.565 -9.994 2.497 1.00 0.14 C ATOM 527 C ILE A 31 7.854 -8.620 3.115 1.00 0.14 C ATOM 528 O ILE A 31 8.096 -7.649 2.400 1.00 0.16 O ATOM 529 CB ILE A 31 6.077 -10.327 2.755 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.675 -11.661 2.120 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.188 -9.209 2.230 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.546 -11.622 0.618 1.00 0.42 C ATOM 0 H ILE A 31 7.957 -11.897 3.289 1.00 0.14 H new ATOM 0 HA ILE A 31 7.765 -9.955 1.426 1.00 0.14 H new ATOM 0 HB ILE A 31 5.943 -10.419 3.833 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.414 -12.415 2.390 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.724 -11.980 2.546 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.143 -9.456 2.418 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.437 -8.277 2.737 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.346 -9.092 1.158 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.259 -12.608 0.252 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.785 -10.894 0.337 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.501 -11.336 0.178 1.00 0.42 H new ATOM 544 N LYS A 32 7.831 -8.547 4.444 1.00 0.17 N ATOM 545 CA LYS A 32 7.945 -7.265 5.139 1.00 0.21 C ATOM 546 C LYS A 32 9.298 -6.609 4.890 1.00 0.20 C ATOM 547 O LYS A 32 9.384 -5.392 4.718 1.00 0.21 O ATOM 548 CB LYS A 32 7.718 -7.444 6.639 1.00 0.29 C ATOM 549 CG LYS A 32 6.392 -8.105 6.967 1.00 0.33 C ATOM 550 CD LYS A 32 5.233 -7.374 6.326 1.00 0.35 C ATOM 551 CE LYS A 32 3.972 -8.212 6.343 1.00 0.43 C ATOM 552 NZ LYS A 32 3.567 -8.589 7.725 1.00 0.88 N ATOM 0 H LYS A 32 7.735 -9.355 5.059 1.00 0.17 H new ATOM 0 HA LYS A 32 7.173 -6.608 4.738 1.00 0.21 H new ATOM 0 HB2 LYS A 32 8.528 -8.044 7.054 1.00 0.29 H new ATOM 0 HB3 LYS A 32 7.761 -6.470 7.126 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.405 -9.139 6.624 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.254 -8.130 8.048 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.056 -6.437 6.854 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.487 -7.118 5.298 1.00 0.35 H new ATOM 0 HE2 LYS A 32 3.163 -7.658 5.867 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.130 -9.115 5.753 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.533 -8.689 7.769 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 4.013 -9.492 7.983 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 3.871 -7.850 8.390 1.00 0.88 H new ATOM 566 N LYS A 33 10.348 -7.418 4.854 1.00 0.21 N ATOM 567 CA LYS A 33 11.696 -6.910 4.627 1.00 0.22 C ATOM 568 C LYS A 33 11.830 -6.392 3.213 1.00 0.19 C ATOM 569 O LYS A 33 12.538 -5.414 2.965 1.00 0.19 O ATOM 570 CB LYS A 33 12.724 -8.006 4.854 1.00 0.28 C ATOM 571 CG LYS A 33 12.641 -8.638 6.228 1.00 0.35 C ATOM 572 CD LYS A 33 12.796 -7.605 7.330 1.00 0.49 C ATOM 573 CE LYS A 33 12.729 -8.245 8.706 1.00 0.62 C ATOM 574 NZ LYS A 33 12.864 -7.238 9.789 1.00 1.41 N ATOM 0 H LYS A 33 10.293 -8.429 4.979 1.00 0.21 H new ATOM 0 HA LYS A 33 11.874 -6.098 5.331 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.591 -8.780 4.098 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.722 -7.592 4.713 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.683 -9.147 6.338 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.418 -9.396 6.328 1.00 0.35 H new ATOM 0 HD2 LYS A 33 13.748 -7.088 7.214 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.012 -6.853 7.239 1.00 0.49 H new ATOM 0 HE2 LYS A 33 11.781 -8.772 8.816 1.00 0.62 H new ATOM 0 HE3 LYS A 33 13.520 -8.989 8.800 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 12.813 -7.713 10.713 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 13.779 -6.752 9.699 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 12.094 -6.543 9.715 1.00 1.41 H new ATOM 588 N SER A 34 11.139 -7.057 2.294 1.00 0.18 N ATOM 589 CA SER A 34 11.140 -6.659 0.896 1.00 0.18 C ATOM 590 C SER A 34 10.709 -5.207 0.775 1.00 0.19 C ATOM 591 O SER A 34 11.220 -4.467 -0.059 1.00 0.30 O ATOM 592 CB SER A 34 10.213 -7.561 0.073 1.00 0.21 C ATOM 593 OG SER A 34 10.386 -7.343 -1.316 1.00 0.26 O ATOM 0 H SER A 34 10.569 -7.878 2.496 1.00 0.18 H new ATOM 0 HA SER A 34 12.151 -6.765 0.503 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.416 -8.606 0.308 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.176 -7.368 0.348 1.00 0.21 H new ATOM 0 HG SER A 34 10.822 -8.124 -1.718 1.00 0.26 H new ATOM 599 N TYR A 35 9.794 -4.803 1.650 1.00 0.17 N ATOM 600 CA TYR A 35 9.326 -3.425 1.691 1.00 0.18 C ATOM 601 C TYR A 35 10.361 -2.534 2.348 1.00 0.18 C ATOM 602 O TYR A 35 10.715 -1.480 1.829 1.00 0.26 O ATOM 603 CB TYR A 35 8.008 -3.315 2.465 1.00 0.22 C ATOM 604 CG TYR A 35 7.830 -1.981 3.176 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.626 -0.808 2.466 1.00 0.33 C ATOM 606 CD2 TYR A 35 7.873 -1.902 4.562 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.467 0.403 3.111 1.00 0.40 C ATOM 608 CE2 TYR A 35 7.714 -0.697 5.215 1.00 0.38 C ATOM 609 CZ TYR A 35 7.510 0.452 4.485 1.00 0.42 C ATOM 610 OH TYR A 35 7.348 1.656 5.135 1.00 0.51 O ATOM 0 H TYR A 35 9.361 -5.414 2.342 1.00 0.17 H new ATOM 0 HA TYR A 35 9.163 -3.101 0.663 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.177 -3.463 1.775 1.00 0.22 H new ATOM 0 HB3 TYR A 35 7.959 -4.119 3.200 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.591 -0.842 1.387 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.034 -2.800 5.139 1.00 0.29 H new ATOM 0 HE1 TYR A 35 7.310 1.306 2.540 1.00 0.40 H new ATOM 0 HE2 TYR A 35 7.749 -0.656 6.294 1.00 0.38 H new ATOM 0 HH TYR A 35 6.476 2.038 4.903 1.00 0.51 H new ATOM 620 N ARG A 36 10.828 -2.975 3.501 1.00 0.16 N ATOM 621 CA ARG A 36 11.694 -2.167 4.345 1.00 0.19 C ATOM 622 C ARG A 36 12.914 -1.679 3.605 1.00 0.21 C ATOM 623 O ARG A 36 13.182 -0.484 3.569 1.00 0.23 O ATOM 624 CB ARG A 36 12.137 -2.937 5.558 1.00 0.25 C ATOM 625 CG ARG A 36 11.004 -3.230 6.494 1.00 0.29 C ATOM 626 CD ARG A 36 11.504 -3.288 7.913 1.00 0.42 C ATOM 627 NE ARG A 36 11.745 -1.951 8.463 1.00 0.83 N ATOM 628 CZ ARG A 36 12.950 -1.477 8.787 1.00 1.30 C ATOM 629 NH1 ARG A 36 14.042 -2.199 8.559 1.00 1.53 N ATOM 630 NH2 ARG A 36 13.062 -0.267 9.321 1.00 1.74 N ATOM 0 H ARG A 36 10.620 -3.899 3.879 1.00 0.16 H new ATOM 0 HA ARG A 36 11.104 -1.303 4.652 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.596 -3.874 5.243 1.00 0.25 H new ATOM 0 HB3 ARG A 36 12.903 -2.369 6.086 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.238 -2.460 6.402 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.537 -4.178 6.226 1.00 0.29 H new ATOM 0 HD2 ARG A 36 10.775 -3.810 8.533 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.427 -3.867 7.949 1.00 0.42 H new ATOM 0 HE ARG A 36 10.939 -1.343 8.608 1.00 0.83 H new ATOM 0 HH11 ARG A 36 13.963 -3.123 8.133 1.00 1.53 H new ATOM 0 HH12 ARG A 36 14.959 -1.830 8.810 1.00 1.53 H new ATOM 0 HH21 ARG A 36 12.228 0.298 9.483 1.00 1.74 H new ATOM 0 HH22 ARG A 36 13.982 0.098 9.570 1.00 1.74 H new ATOM 644 N LYS A 37 13.644 -2.605 3.008 1.00 0.35 N ATOM 645 CA LYS A 37 14.874 -2.264 2.298 1.00 0.45 C ATOM 646 C LYS A 37 14.618 -1.264 1.164 1.00 0.40 C ATOM 647 O LYS A 37 15.553 -0.683 0.626 1.00 0.43 O ATOM 648 CB LYS A 37 15.590 -3.520 1.786 1.00 0.67 C ATOM 649 CG LYS A 37 14.813 -4.344 0.769 1.00 0.78 C ATOM 650 CD LYS A 37 15.531 -5.658 0.491 1.00 1.04 C ATOM 651 CE LYS A 37 14.857 -6.470 -0.606 1.00 0.85 C ATOM 652 NZ LYS A 37 14.963 -5.813 -1.935 1.00 1.37 N ATOM 0 H LYS A 37 13.411 -3.598 2.998 1.00 0.35 H new ATOM 0 HA LYS A 37 15.535 -1.776 3.014 1.00 0.45 H new ATOM 0 HB2 LYS A 37 16.538 -3.221 1.338 1.00 0.67 H new ATOM 0 HB3 LYS A 37 15.827 -4.156 2.639 1.00 0.67 H new ATOM 0 HG2 LYS A 37 13.809 -4.543 1.144 1.00 0.78 H new ATOM 0 HG3 LYS A 37 14.702 -3.780 -0.157 1.00 0.78 H new ATOM 0 HD2 LYS A 37 16.562 -5.451 0.204 1.00 1.04 H new ATOM 0 HD3 LYS A 37 15.567 -6.249 1.406 1.00 1.04 H new ATOM 0 HE2 LYS A 37 15.311 -7.460 -0.654 1.00 0.85 H new ATOM 0 HE3 LYS A 37 13.806 -6.613 -0.356 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 14.613 -6.459 -2.671 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 14.393 -4.943 -1.939 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 15.957 -5.576 -2.127 1.00 1.37 H new ATOM 666 N LEU A 38 13.352 -1.078 0.798 1.00 0.45 N ATOM 667 CA LEU A 38 12.966 -0.023 -0.135 1.00 0.61 C ATOM 668 C LEU A 38 12.631 1.244 0.617 1.00 0.60 C ATOM 669 O LEU A 38 12.941 2.331 0.178 1.00 0.76 O ATOM 670 CB LEU A 38 11.713 -0.387 -0.889 1.00 1.00 C ATOM 671 CG LEU A 38 11.739 -1.669 -1.666 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.330 -2.205 -1.674 1.00 0.57 C ATOM 673 CD2 LEU A 38 12.251 -1.418 -3.075 1.00 0.44 C ATOM 0 H LEU A 38 12.574 -1.646 1.134 1.00 0.45 H new ATOM 0 HA LEU A 38 13.808 0.111 -0.814 1.00 0.61 H new ATOM 0 HB2 LEU A 38 10.890 -0.439 -0.176 1.00 1.00 H new ATOM 0 HB3 LEU A 38 11.485 0.424 -1.580 1.00 1.00 H new ATOM 0 HG LEU A 38 12.412 -2.397 -1.213 1.00 0.27 H new ATOM 0 HD11 LEU A 38 10.300 -3.142 -2.231 1.00 0.57 H new ATOM 0 HD12 LEU A 38 10.002 -2.381 -0.650 1.00 0.57 H new ATOM 0 HD13 LEU A 38 9.668 -1.480 -2.147 1.00 0.57 H new ATOM 0 HD21 LEU A 38 12.265 -2.356 -3.629 1.00 0.44 H new ATOM 0 HD22 LEU A 38 11.595 -0.708 -3.579 1.00 0.44 H new ATOM 0 HD23 LEU A 38 13.260 -1.009 -3.028 1.00 0.44 H new ATOM 685 N ALA A 39 11.940 1.077 1.731 1.00 0.49 N ATOM 686 CA ALA A 39 11.413 2.189 2.506 1.00 0.59 C ATOM 687 C ALA A 39 12.495 3.197 2.858 1.00 0.57 C ATOM 688 O ALA A 39 12.413 4.362 2.468 1.00 0.72 O ATOM 689 CB ALA A 39 10.757 1.665 3.757 1.00 0.59 C ATOM 0 H ALA A 39 11.727 0.161 2.126 1.00 0.49 H new ATOM 0 HA ALA A 39 10.675 2.708 1.895 1.00 0.59 H new ATOM 0 HB1 ALA A 39 10.362 2.499 4.337 1.00 0.59 H new ATOM 0 HB2 ALA A 39 9.942 0.993 3.487 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.491 1.123 4.353 1.00 0.59 H new ATOM 695 N LEU A 40 13.519 2.756 3.579 1.00 0.44 N ATOM 696 CA LEU A 40 14.627 3.646 3.891 1.00 0.51 C ATOM 697 C LEU A 40 15.460 3.918 2.640 1.00 0.46 C ATOM 698 O LEU A 40 16.365 4.743 2.647 1.00 0.58 O ATOM 699 CB LEU A 40 15.507 3.157 5.077 1.00 0.56 C ATOM 700 CG LEU A 40 15.969 1.683 5.117 1.00 0.51 C ATOM 701 CD1 LEU A 40 14.842 0.760 5.551 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.554 1.232 3.788 1.00 0.44 C ATOM 0 H LEU A 40 13.604 1.810 3.951 1.00 0.44 H new ATOM 0 HA LEU A 40 14.189 4.584 4.231 1.00 0.51 H new ATOM 0 HB2 LEU A 40 16.400 3.781 5.102 1.00 0.56 H new ATOM 0 HB3 LEU A 40 14.956 3.353 5.997 1.00 0.56 H new ATOM 0 HG LEU A 40 16.763 1.622 5.861 1.00 0.51 H new ATOM 0 HD11 LEU A 40 15.201 -0.269 5.568 1.00 0.48 H new ATOM 0 HD12 LEU A 40 14.503 1.043 6.548 1.00 0.48 H new ATOM 0 HD13 LEU A 40 14.013 0.843 4.849 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.865 0.190 3.862 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.801 1.331 3.007 1.00 0.44 H new ATOM 0 HD23 LEU A 40 17.416 1.852 3.541 1.00 0.44 H new ATOM 714 N LYS A 41 15.153 3.215 1.564 1.00 0.37 N ATOM 715 CA LYS A 41 15.864 3.402 0.313 1.00 0.40 C ATOM 716 C LYS A 41 15.159 4.451 -0.562 1.00 0.39 C ATOM 717 O LYS A 41 15.786 5.095 -1.404 1.00 0.48 O ATOM 718 CB LYS A 41 15.992 2.043 -0.380 1.00 0.51 C ATOM 719 CG LYS A 41 16.481 2.077 -1.810 1.00 0.62 C ATOM 720 CD LYS A 41 15.359 1.690 -2.749 1.00 0.65 C ATOM 721 CE LYS A 41 15.829 1.539 -4.182 1.00 0.72 C ATOM 722 NZ LYS A 41 16.658 2.691 -4.629 1.00 1.41 N ATOM 0 H LYS A 41 14.417 2.510 1.532 1.00 0.37 H new ATOM 0 HA LYS A 41 16.866 3.789 0.498 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.673 1.422 0.202 1.00 0.51 H new ATOM 0 HB3 LYS A 41 15.018 1.553 -0.360 1.00 0.51 H new ATOM 0 HG2 LYS A 41 16.844 3.075 -2.055 1.00 0.62 H new ATOM 0 HG3 LYS A 41 17.321 1.393 -1.932 1.00 0.62 H new ATOM 0 HD2 LYS A 41 14.916 0.752 -2.414 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.575 2.446 -2.705 1.00 0.65 H new ATOM 0 HE2 LYS A 41 16.407 0.620 -4.277 1.00 0.72 H new ATOM 0 HE3 LYS A 41 14.964 1.441 -4.837 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 16.800 2.638 -5.658 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 16.174 3.580 -4.392 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.581 2.661 -4.150 1.00 1.41 H new ATOM 736 N TYR A 42 13.861 4.640 -0.339 1.00 0.36 N ATOM 737 CA TYR A 42 13.077 5.589 -1.129 1.00 0.36 C ATOM 738 C TYR A 42 12.600 6.772 -0.295 1.00 0.40 C ATOM 739 O TYR A 42 11.901 7.645 -0.799 1.00 0.40 O ATOM 740 CB TYR A 42 11.859 4.898 -1.756 1.00 0.33 C ATOM 741 CG TYR A 42 12.148 4.164 -3.049 1.00 0.36 C ATOM 742 CD1 TYR A 42 12.238 4.853 -4.251 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.319 2.787 -3.072 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.491 4.193 -5.439 1.00 0.44 C ATOM 745 CE2 TYR A 42 12.573 2.119 -4.256 1.00 0.43 C ATOM 746 CZ TYR A 42 12.657 2.827 -5.436 1.00 0.45 C ATOM 747 OH TYR A 42 12.914 2.165 -6.619 1.00 0.52 O ATOM 0 H TYR A 42 13.329 4.150 0.381 1.00 0.36 H new ATOM 0 HA TYR A 42 13.736 5.962 -1.913 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.448 4.191 -1.036 1.00 0.33 H new ATOM 0 HB3 TYR A 42 11.089 5.646 -1.942 1.00 0.33 H new ATOM 0 HD1 TYR A 42 12.108 5.925 -4.258 1.00 0.38 H new ATOM 0 HD2 TYR A 42 12.253 2.228 -2.150 1.00 0.38 H new ATOM 0 HE1 TYR A 42 12.558 4.746 -6.364 1.00 0.44 H new ATOM 0 HE2 TYR A 42 12.705 1.047 -4.256 1.00 0.43 H new ATOM 0 HH TYR A 42 13.006 1.205 -6.443 1.00 0.52 H new ATOM 757 N HIS A 43 12.969 6.806 0.977 1.00 0.46 N ATOM 758 CA HIS A 43 12.512 7.872 1.862 1.00 0.53 C ATOM 759 C HIS A 43 13.087 9.219 1.425 1.00 0.56 C ATOM 760 O HIS A 43 14.303 9.392 1.393 1.00 0.62 O ATOM 761 CB HIS A 43 12.919 7.594 3.313 1.00 0.62 C ATOM 762 CG HIS A 43 11.892 8.045 4.308 1.00 0.71 C ATOM 763 ND1 HIS A 43 12.188 8.356 5.616 1.00 1.17 N ATOM 764 CD2 HIS A 43 10.557 8.229 4.177 1.00 0.87 C ATOM 765 CE1 HIS A 43 11.083 8.709 6.243 1.00 1.12 C ATOM 766 NE2 HIS A 43 10.081 8.641 5.394 1.00 0.87 N ATOM 0 H HIS A 43 13.577 6.116 1.418 1.00 0.46 H new ATOM 0 HA HIS A 43 11.424 7.907 1.800 1.00 0.53 H new ATOM 0 HB2 HIS A 43 13.092 6.525 3.437 1.00 0.62 H new ATOM 0 HB3 HIS A 43 13.864 8.096 3.522 1.00 0.62 H new ATOM 0 HD2 HIS A 43 9.975 8.079 3.280 1.00 0.87 H new ATOM 0 HE1 HIS A 43 11.013 9.004 7.279 1.00 1.12 H new ATOM 0 HE2 HIS A 43 9.108 8.859 5.607 1.00 0.87 H new ATOM 775 N PRO A 44 12.220 10.188 1.085 1.00 0.54 N ATOM 776 CA PRO A 44 12.641 11.545 0.696 1.00 0.58 C ATOM 777 C PRO A 44 13.412 12.249 1.804 1.00 0.68 C ATOM 778 O PRO A 44 14.153 13.198 1.559 1.00 0.72 O ATOM 779 CB PRO A 44 11.326 12.281 0.425 1.00 0.58 C ATOM 780 CG PRO A 44 10.275 11.456 1.086 1.00 0.57 C ATOM 781 CD PRO A 44 10.759 10.038 1.025 1.00 0.51 C ATOM 0 HA PRO A 44 13.313 11.522 -0.162 1.00 0.58 H new ATOM 0 HB2 PRO A 44 11.349 13.291 0.833 1.00 0.58 H new ATOM 0 HB3 PRO A 44 11.139 12.374 -0.645 1.00 0.58 H new ATOM 0 HG2 PRO A 44 10.124 11.772 2.118 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.318 11.563 0.576 1.00 0.57 H new ATOM 0 HD2 PRO A 44 10.379 9.445 1.857 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.441 9.541 0.108 1.00 0.51 H new ATOM 789 N ASP A 45 13.227 11.778 3.029 1.00 0.74 N ATOM 790 CA ASP A 45 13.986 12.277 4.167 1.00 0.85 C ATOM 791 C ASP A 45 15.465 11.933 4.011 1.00 0.89 C ATOM 792 O ASP A 45 16.342 12.647 4.498 1.00 0.96 O ATOM 793 CB ASP A 45 13.434 11.677 5.461 1.00 0.92 C ATOM 794 CG ASP A 45 14.253 12.052 6.681 1.00 1.06 C ATOM 795 OD1 ASP A 45 14.390 13.259 6.959 1.00 1.11 O ATOM 796 OD2 ASP A 45 14.778 11.143 7.354 1.00 1.16 O ATOM 0 H ASP A 45 12.554 11.047 3.261 1.00 0.74 H new ATOM 0 HA ASP A 45 13.888 13.362 4.210 1.00 0.85 H new ATOM 0 HB2 ASP A 45 12.407 12.013 5.602 1.00 0.92 H new ATOM 0 HB3 ASP A 45 13.405 10.591 5.369 1.00 0.92 H new ATOM 801 N LYS A 46 15.729 10.839 3.308 1.00 0.87 N ATOM 802 CA LYS A 46 17.092 10.390 3.057 1.00 0.94 C ATOM 803 C LYS A 46 17.516 10.782 1.651 1.00 0.90 C ATOM 804 O LYS A 46 18.703 10.804 1.330 1.00 0.99 O ATOM 805 CB LYS A 46 17.195 8.870 3.210 1.00 1.00 C ATOM 806 CG LYS A 46 16.441 8.322 4.409 1.00 1.04 C ATOM 807 CD LYS A 46 16.628 6.820 4.586 1.00 1.13 C ATOM 808 CE LYS A 46 18.051 6.419 4.982 1.00 1.57 C ATOM 809 NZ LYS A 46 19.043 6.640 3.892 1.00 2.08 N ATOM 0 H LYS A 46 15.010 10.242 2.899 1.00 0.87 H new ATOM 0 HA LYS A 46 17.749 10.866 3.785 1.00 0.94 H new ATOM 0 HB2 LYS A 46 16.814 8.397 2.305 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.246 8.593 3.296 1.00 1.00 H new ATOM 0 HG2 LYS A 46 16.778 8.834 5.310 1.00 1.04 H new ATOM 0 HG3 LYS A 46 15.379 8.541 4.296 1.00 1.04 H new ATOM 0 HD2 LYS A 46 15.934 6.464 5.348 1.00 1.13 H new ATOM 0 HD3 LYS A 46 16.364 6.318 3.655 1.00 1.13 H new ATOM 0 HE2 LYS A 46 18.352 6.989 5.861 1.00 1.57 H new ATOM 0 HE3 LYS A 46 18.060 5.367 5.266 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 19.726 5.855 3.879 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 18.550 6.684 2.977 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 19.547 7.535 4.057 1.00 2.08 H new ATOM 823 N ASN A 47 16.534 11.088 0.817 1.00 0.79 N ATOM 824 CA ASN A 47 16.786 11.435 -0.574 1.00 0.77 C ATOM 825 C ASN A 47 16.027 12.706 -0.936 1.00 0.74 C ATOM 826 O ASN A 47 14.981 12.654 -1.583 1.00 0.66 O ATOM 827 CB ASN A 47 16.367 10.295 -1.510 1.00 0.69 C ATOM 828 CG ASN A 47 16.951 8.950 -1.115 1.00 0.74 C ATOM 829 OD1 ASN A 47 18.034 8.568 -1.566 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.241 8.225 -0.264 1.00 0.71 N ATOM 0 H ASN A 47 15.549 11.103 1.081 1.00 0.79 H new ATOM 0 HA ASN A 47 17.856 11.603 -0.696 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.279 10.223 -1.519 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.679 10.535 -2.526 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.585 7.315 0.042 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.350 8.577 0.086 1.00 0.71 H new ATOM 837 N PRO A 48 16.525 13.856 -0.467 1.00 0.82 N ATOM 838 CA PRO A 48 15.917 15.169 -0.725 1.00 0.84 C ATOM 839 C PRO A 48 15.869 15.523 -2.207 1.00 0.84 C ATOM 840 O PRO A 48 16.623 14.972 -3.010 1.00 0.86 O ATOM 841 CB PRO A 48 16.840 16.141 0.019 1.00 0.93 C ATOM 842 CG PRO A 48 18.120 15.398 0.182 1.00 0.99 C ATOM 843 CD PRO A 48 17.719 13.968 0.376 1.00 0.92 C ATOM 0 HA PRO A 48 14.878 15.198 -0.396 1.00 0.84 H new ATOM 0 HB2 PRO A 48 16.986 17.061 -0.548 1.00 0.93 H new ATOM 0 HB3 PRO A 48 16.421 16.424 0.985 1.00 0.93 H new ATOM 0 HG2 PRO A 48 18.757 15.513 -0.695 1.00 0.99 H new ATOM 0 HG3 PRO A 48 18.685 15.769 1.037 1.00 0.99 H new ATOM 0 HD2 PRO A 48 18.504 13.280 0.061 1.00 0.92 H new ATOM 0 HD3 PRO A 48 17.501 13.746 1.421 1.00 0.92 H new ATOM 851 N ASP A 49 14.959 16.436 -2.556 1.00 0.85 N ATOM 852 CA ASP A 49 14.795 16.916 -3.935 1.00 0.89 C ATOM 853 C ASP A 49 14.199 15.823 -4.821 1.00 0.82 C ATOM 854 O ASP A 49 14.052 15.989 -6.031 1.00 0.88 O ATOM 855 CB ASP A 49 16.134 17.416 -4.505 1.00 0.98 C ATOM 856 CG ASP A 49 16.019 17.993 -5.905 1.00 1.08 C ATOM 857 OD1 ASP A 49 15.442 19.091 -6.063 1.00 1.20 O ATOM 858 OD2 ASP A 49 16.512 17.353 -6.857 1.00 1.09 O ATOM 0 H ASP A 49 14.314 16.865 -1.892 1.00 0.85 H new ATOM 0 HA ASP A 49 14.101 17.757 -3.921 1.00 0.89 H new ATOM 0 HB2 ASP A 49 16.542 18.177 -3.839 1.00 0.98 H new ATOM 0 HB3 ASP A 49 16.845 16.590 -4.518 1.00 0.98 H new ATOM 863 N ASN A 50 13.813 14.718 -4.210 1.00 0.74 N ATOM 864 CA ASN A 50 13.257 13.606 -4.957 1.00 0.68 C ATOM 865 C ASN A 50 11.828 13.338 -4.502 1.00 0.64 C ATOM 866 O ASN A 50 11.592 12.601 -3.545 1.00 0.61 O ATOM 867 CB ASN A 50 14.123 12.354 -4.796 1.00 0.65 C ATOM 868 CG ASN A 50 13.804 11.289 -5.819 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.681 11.192 -6.315 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.790 10.473 -6.132 1.00 0.74 N ATOM 0 H ASN A 50 13.874 14.567 -3.203 1.00 0.74 H new ATOM 0 HA ASN A 50 13.244 13.868 -6.015 1.00 0.68 H new ATOM 0 HB2 ASN A 50 15.174 12.631 -4.881 1.00 0.65 H new ATOM 0 HB3 ASN A 50 13.981 11.945 -3.796 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.638 9.726 -6.809 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.705 10.589 -5.697 1.00 0.74 H new ATOM 877 N PRO A 51 10.858 13.978 -5.162 1.00 0.67 N ATOM 878 CA PRO A 51 9.439 13.824 -4.855 1.00 0.68 C ATOM 879 C PRO A 51 8.887 12.519 -5.411 1.00 0.66 C ATOM 880 O PRO A 51 7.906 11.978 -4.898 1.00 0.67 O ATOM 881 CB PRO A 51 8.779 15.024 -5.546 1.00 0.78 C ATOM 882 CG PRO A 51 9.899 15.845 -6.096 1.00 0.79 C ATOM 883 CD PRO A 51 11.061 14.920 -6.259 1.00 0.73 C ATOM 0 HA PRO A 51 9.252 13.792 -3.782 1.00 0.68 H new ATOM 0 HB2 PRO A 51 8.108 14.697 -6.340 1.00 0.78 H new ATOM 0 HB3 PRO A 51 8.181 15.601 -4.840 1.00 0.78 H new ATOM 0 HG2 PRO A 51 9.621 16.291 -7.051 1.00 0.79 H new ATOM 0 HG3 PRO A 51 10.147 16.665 -5.422 1.00 0.79 H new ATOM 0 HD2 PRO A 51 11.054 14.423 -7.229 1.00 0.73 H new ATOM 0 HD3 PRO A 51 12.013 15.443 -6.176 1.00 0.73 H new ATOM 891 N GLU A 52 9.523 12.028 -6.470 1.00 0.66 N ATOM 892 CA GLU A 52 9.179 10.726 -7.034 1.00 0.67 C ATOM 893 C GLU A 52 9.382 9.638 -5.993 1.00 0.57 C ATOM 894 O GLU A 52 8.564 8.731 -5.853 1.00 0.56 O ATOM 895 CB GLU A 52 10.036 10.415 -8.262 1.00 0.72 C ATOM 896 CG GLU A 52 9.954 11.466 -9.349 1.00 0.95 C ATOM 897 CD GLU A 52 10.585 11.006 -10.645 1.00 1.28 C ATOM 898 OE1 GLU A 52 11.808 11.200 -10.815 1.00 1.66 O ATOM 899 OE2 GLU A 52 9.865 10.459 -11.507 1.00 1.53 O ATOM 0 H GLU A 52 10.279 12.511 -6.955 1.00 0.66 H new ATOM 0 HA GLU A 52 8.132 10.757 -7.336 1.00 0.67 H new ATOM 0 HB2 GLU A 52 11.075 10.309 -7.950 1.00 0.72 H new ATOM 0 HB3 GLU A 52 9.727 9.455 -8.675 1.00 0.72 H new ATOM 0 HG2 GLU A 52 8.909 11.720 -9.527 1.00 0.95 H new ATOM 0 HG3 GLU A 52 10.450 12.375 -9.009 1.00 0.95 H new ATOM 906 N ALA A 53 10.481 9.753 -5.258 1.00 0.53 N ATOM 907 CA ALA A 53 10.816 8.801 -4.207 1.00 0.46 C ATOM 908 C ALA A 53 9.717 8.723 -3.152 1.00 0.42 C ATOM 909 O ALA A 53 9.480 7.665 -2.584 1.00 0.37 O ATOM 910 CB ALA A 53 12.146 9.164 -3.567 1.00 0.47 C ATOM 0 H ALA A 53 11.161 10.504 -5.373 1.00 0.53 H new ATOM 0 HA ALA A 53 10.904 7.816 -4.665 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.382 8.443 -2.784 1.00 0.47 H new ATOM 0 HB2 ALA A 53 12.930 9.147 -4.324 1.00 0.47 H new ATOM 0 HB3 ALA A 53 12.081 10.162 -3.134 1.00 0.47 H new ATOM 916 N ALA A 54 9.045 9.842 -2.900 1.00 0.45 N ATOM 917 CA ALA A 54 7.911 9.866 -1.980 1.00 0.44 C ATOM 918 C ALA A 54 6.799 8.953 -2.474 1.00 0.43 C ATOM 919 O ALA A 54 6.206 8.194 -1.704 1.00 0.41 O ATOM 920 CB ALA A 54 7.376 11.277 -1.834 1.00 0.51 C ATOM 0 H ALA A 54 9.266 10.745 -3.320 1.00 0.45 H new ATOM 0 HA ALA A 54 8.258 9.511 -1.010 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.531 11.276 -1.145 1.00 0.51 H new ATOM 0 HB2 ALA A 54 8.161 11.925 -1.445 1.00 0.51 H new ATOM 0 HB3 ALA A 54 7.050 11.645 -2.807 1.00 0.51 H new ATOM 926 N ASP A 55 6.528 9.040 -3.768 1.00 0.46 N ATOM 927 CA ASP A 55 5.503 8.226 -4.406 1.00 0.47 C ATOM 928 C ASP A 55 5.909 6.760 -4.384 1.00 0.39 C ATOM 929 O ASP A 55 5.096 5.877 -4.107 1.00 0.36 O ATOM 930 CB ASP A 55 5.293 8.708 -5.840 1.00 0.57 C ATOM 931 CG ASP A 55 4.231 7.918 -6.585 1.00 0.63 C ATOM 932 OD1 ASP A 55 3.029 8.136 -6.322 1.00 0.72 O ATOM 933 OD2 ASP A 55 4.598 7.103 -7.460 1.00 0.66 O ATOM 0 H ASP A 55 7.011 9.675 -4.404 1.00 0.46 H new ATOM 0 HA ASP A 55 4.566 8.326 -3.859 1.00 0.47 H new ATOM 0 HB2 ASP A 55 5.011 9.761 -5.825 1.00 0.57 H new ATOM 0 HB3 ASP A 55 6.236 8.638 -6.382 1.00 0.57 H new ATOM 938 N LYS A 56 7.182 6.517 -4.655 1.00 0.39 N ATOM 939 CA LYS A 56 7.753 5.185 -4.558 1.00 0.34 C ATOM 940 C LYS A 56 7.641 4.658 -3.139 1.00 0.28 C ATOM 941 O LYS A 56 7.216 3.531 -2.912 1.00 0.26 O ATOM 942 CB LYS A 56 9.215 5.234 -4.945 1.00 0.38 C ATOM 943 CG LYS A 56 9.477 5.787 -6.328 1.00 0.48 C ATOM 944 CD LYS A 56 9.045 4.813 -7.405 1.00 0.64 C ATOM 945 CE LYS A 56 7.642 5.113 -7.909 1.00 0.83 C ATOM 946 NZ LYS A 56 7.151 4.074 -8.852 1.00 0.98 N ATOM 0 H LYS A 56 7.845 7.235 -4.947 1.00 0.39 H new ATOM 0 HA LYS A 56 7.205 4.524 -5.230 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.751 5.842 -4.216 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.628 4.227 -4.885 1.00 0.38 H new ATOM 0 HG2 LYS A 56 8.943 6.729 -6.452 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.539 6.006 -6.438 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.747 4.857 -8.237 1.00 0.64 H new ATOM 0 HD3 LYS A 56 9.080 3.797 -7.012 1.00 0.64 H new ATOM 0 HE2 LYS A 56 6.960 5.183 -7.061 1.00 0.83 H new ATOM 0 HE3 LYS A 56 7.635 6.084 -8.405 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 6.989 4.502 -9.786 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.860 3.318 -8.935 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 6.259 3.675 -8.495 1.00 0.98 H new ATOM 960 N PHE A 57 8.020 5.499 -2.189 1.00 0.27 N ATOM 961 CA PHE A 57 7.958 5.157 -0.775 1.00 0.24 C ATOM 962 C PHE A 57 6.531 4.825 -0.381 1.00 0.24 C ATOM 963 O PHE A 57 6.294 4.082 0.556 1.00 0.26 O ATOM 964 CB PHE A 57 8.490 6.310 0.087 1.00 0.27 C ATOM 965 CG PHE A 57 8.375 6.058 1.566 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.262 5.210 2.208 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.374 6.662 2.312 1.00 0.30 C ATOM 968 CE1 PHE A 57 9.154 4.970 3.565 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.262 6.425 3.668 1.00 0.34 C ATOM 970 CZ PHE A 57 8.153 5.578 4.295 1.00 0.37 C ATOM 0 H PHE A 57 8.378 6.436 -2.375 1.00 0.27 H new ATOM 0 HA PHE A 57 8.586 4.283 -0.604 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.536 6.487 -0.163 1.00 0.27 H new ATOM 0 HB3 PHE A 57 7.945 7.220 -0.162 1.00 0.27 H new ATOM 0 HD1 PHE A 57 10.047 4.731 1.642 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.674 7.326 1.827 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.853 4.307 4.054 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.478 6.902 4.237 1.00 0.34 H new ATOM 0 HZ PHE A 57 8.067 5.391 5.355 1.00 0.37 H new ATOM 980 N LYS A 58 5.593 5.367 -1.127 1.00 0.26 N ATOM 981 CA LYS A 58 4.183 5.194 -0.853 1.00 0.28 C ATOM 982 C LYS A 58 3.652 3.873 -1.421 1.00 0.26 C ATOM 983 O LYS A 58 2.904 3.169 -0.745 1.00 0.29 O ATOM 984 CB LYS A 58 3.447 6.408 -1.415 1.00 0.32 C ATOM 985 CG LYS A 58 2.065 6.128 -1.977 1.00 0.36 C ATOM 986 CD LYS A 58 1.350 7.418 -2.350 1.00 0.52 C ATOM 987 CE LYS A 58 2.221 8.312 -3.221 1.00 0.79 C ATOM 988 NZ LYS A 58 1.512 9.548 -3.641 1.00 1.41 N ATOM 0 H LYS A 58 5.788 5.943 -1.945 1.00 0.26 H new ATOM 0 HA LYS A 58 4.014 5.133 0.222 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.355 7.154 -0.625 1.00 0.32 H new ATOM 0 HB3 LYS A 58 4.058 6.850 -2.202 1.00 0.32 H new ATOM 0 HG2 LYS A 58 2.150 5.489 -2.856 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.475 5.582 -1.242 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.427 7.183 -2.879 1.00 0.52 H new ATOM 0 HD3 LYS A 58 1.070 7.954 -1.443 1.00 0.52 H new ATOM 0 HE2 LYS A 58 3.124 8.581 -2.673 1.00 0.79 H new ATOM 0 HE3 LYS A 58 2.537 7.758 -4.105 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 2.143 10.126 -4.232 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 0.664 9.293 -4.186 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 1.232 10.091 -2.799 1.00 1.41 H new ATOM 1002 N GLU A 59 4.045 3.525 -2.645 1.00 0.25 N ATOM 1003 CA GLU A 59 3.623 2.254 -3.238 1.00 0.24 C ATOM 1004 C GLU A 59 4.240 1.081 -2.488 1.00 0.23 C ATOM 1005 O GLU A 59 3.582 0.066 -2.250 1.00 0.25 O ATOM 1006 CB GLU A 59 3.984 2.177 -4.728 1.00 0.28 C ATOM 1007 CG GLU A 59 5.440 2.480 -5.032 1.00 0.32 C ATOM 1008 CD GLU A 59 5.825 2.156 -6.460 1.00 0.40 C ATOM 1009 OE1 GLU A 59 5.302 2.806 -7.386 1.00 0.54 O ATOM 1010 OE2 GLU A 59 6.653 1.248 -6.667 1.00 0.51 O ATOM 0 H GLU A 59 4.647 4.095 -3.240 1.00 0.25 H new ATOM 0 HA GLU A 59 2.538 2.199 -3.152 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.748 1.179 -5.096 1.00 0.28 H new ATOM 0 HB3 GLU A 59 3.356 2.877 -5.279 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.634 3.535 -4.840 1.00 0.32 H new ATOM 0 HG3 GLU A 59 6.074 1.910 -4.352 1.00 0.32 H new ATOM 1017 N ILE A 60 5.498 1.227 -2.101 1.00 0.23 N ATOM 1018 CA ILE A 60 6.184 0.182 -1.360 1.00 0.24 C ATOM 1019 C ILE A 60 5.606 0.091 0.040 1.00 0.24 C ATOM 1020 O ILE A 60 5.455 -0.995 0.596 1.00 0.27 O ATOM 1021 CB ILE A 60 7.706 0.431 -1.298 1.00 0.26 C ATOM 1022 CG1 ILE A 60 8.010 1.726 -0.547 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.274 0.488 -2.703 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.470 2.113 -0.537 1.00 0.28 C ATOM 0 H ILE A 60 6.062 2.056 -2.287 1.00 0.23 H new ATOM 0 HA ILE A 60 6.031 -0.763 -1.882 1.00 0.24 H new ATOM 0 HB ILE A 60 8.175 -0.392 -0.758 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.435 2.536 -0.996 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.667 1.624 0.482 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.349 0.664 -2.654 1.00 0.29 H new ATOM 0 HG22 ILE A 60 8.084 -0.457 -3.211 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.798 1.299 -3.255 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.596 3.043 0.017 1.00 0.28 H new ATOM 0 HD12 ILE A 60 10.052 1.325 -0.060 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.817 2.251 -1.561 1.00 0.28 H new ATOM 1036 N ASN A 61 5.231 1.251 0.574 1.00 0.24 N ATOM 1037 CA ASN A 61 4.640 1.352 1.897 1.00 0.28 C ATOM 1038 C ASN A 61 3.288 0.646 1.910 1.00 0.29 C ATOM 1039 O ASN A 61 2.758 0.292 2.960 1.00 0.36 O ATOM 1040 CB ASN A 61 4.490 2.830 2.262 1.00 0.36 C ATOM 1041 CG ASN A 61 4.029 3.072 3.679 1.00 0.51 C ATOM 1042 OD1 ASN A 61 4.823 3.017 4.622 1.00 0.62 O ATOM 1043 ND2 ASN A 61 2.757 3.387 3.833 1.00 0.60 N ATOM 0 H ASN A 61 5.331 2.147 0.097 1.00 0.24 H new ATOM 0 HA ASN A 61 5.282 0.870 2.635 1.00 0.28 H new ATOM 0 HB2 ASN A 61 5.448 3.329 2.113 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.780 3.292 1.576 1.00 0.36 H new ATOM 0 HD21 ASN A 61 2.393 3.598 4.762 1.00 0.60 H new ATOM 0 HD22 ASN A 61 2.138 3.420 3.023 1.00 0.60 H new ATOM 1050 N ASN A 62 2.754 0.446 0.714 1.00 0.25 N ATOM 1051 CA ASN A 62 1.483 -0.230 0.520 1.00 0.27 C ATOM 1052 C ASN A 62 1.670 -1.741 0.484 1.00 0.22 C ATOM 1053 O ASN A 62 1.162 -2.455 1.340 1.00 0.20 O ATOM 1054 CB ASN A 62 0.866 0.209 -0.798 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.567 -0.223 -0.934 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.477 0.521 -0.605 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.771 -1.434 -1.420 1.00 0.21 N ATOM 0 H ASN A 62 3.195 0.751 -0.154 1.00 0.25 H new ATOM 0 HA ASN A 62 0.831 0.032 1.354 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.924 1.294 -0.879 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.447 -0.204 -1.623 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.722 -1.784 -1.534 1.00 0.21 H new ATOM 0 HD22 ASN A 62 0.023 -2.019 -1.681 1.00 0.21 H new ATOM 1064 N ALA A 63 2.427 -2.214 -0.513 1.00 0.20 N ATOM 1065 CA ALA A 63 2.571 -3.648 -0.790 1.00 0.18 C ATOM 1066 C ALA A 63 3.133 -4.427 0.404 1.00 0.14 C ATOM 1067 O ALA A 63 3.046 -5.652 0.446 1.00 0.14 O ATOM 1068 CB ALA A 63 3.465 -3.845 -2.001 1.00 0.19 C ATOM 0 H ALA A 63 2.955 -1.616 -1.148 1.00 0.20 H new ATOM 0 HA ALA A 63 1.574 -4.042 -0.988 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.571 -4.910 -2.206 1.00 0.19 H new ATOM 0 HB2 ALA A 63 3.020 -3.352 -2.866 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.446 -3.414 -1.803 1.00 0.19 H new ATOM 1074 N HIS A 64 3.691 -3.688 1.357 1.00 0.13 N ATOM 1075 CA HIS A 64 4.335 -4.238 2.552 1.00 0.11 C ATOM 1076 C HIS A 64 3.595 -5.443 3.151 1.00 0.13 C ATOM 1077 O HIS A 64 4.167 -6.522 3.272 1.00 0.20 O ATOM 1078 CB HIS A 64 4.470 -3.108 3.585 1.00 0.15 C ATOM 1079 CG HIS A 64 4.727 -3.546 4.999 1.00 0.37 C ATOM 1080 ND1 HIS A 64 3.785 -3.435 5.990 1.00 1.02 N ATOM 1081 CD2 HIS A 64 5.834 -4.049 5.591 1.00 1.02 C ATOM 1082 CE1 HIS A 64 4.300 -3.845 7.132 1.00 1.00 C ATOM 1083 NE2 HIS A 64 5.546 -4.224 6.922 1.00 0.96 N ATOM 0 H HIS A 64 3.710 -2.669 1.323 1.00 0.13 H new ATOM 0 HA HIS A 64 5.314 -4.621 2.263 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.283 -2.451 3.274 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.556 -2.514 3.568 1.00 0.15 H new ATOM 0 HD1 HIS A 64 2.834 -3.089 5.863 1.00 1.02 H new ATOM 0 HD2 HIS A 64 6.773 -4.272 5.106 1.00 1.02 H new ATOM 0 HE1 HIS A 64 3.787 -3.867 8.082 1.00 1.00 H new ATOM 1092 N ALA A 65 2.348 -5.260 3.552 1.00 0.14 N ATOM 1093 CA ALA A 65 1.612 -6.331 4.212 1.00 0.17 C ATOM 1094 C ALA A 65 0.828 -7.189 3.231 1.00 0.13 C ATOM 1095 O ALA A 65 0.764 -8.406 3.385 1.00 0.14 O ATOM 1096 CB ALA A 65 0.672 -5.764 5.260 1.00 0.25 C ATOM 0 H ALA A 65 1.827 -4.391 3.435 1.00 0.14 H new ATOM 0 HA ALA A 65 2.353 -6.971 4.691 1.00 0.17 H new ATOM 0 HB1 ALA A 65 0.131 -6.578 5.742 1.00 0.25 H new ATOM 0 HB2 ALA A 65 1.247 -5.218 6.007 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.038 -5.088 4.784 1.00 0.25 H new ATOM 1102 N ILE A 66 0.264 -6.548 2.212 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.761 -7.157 1.351 1.00 0.12 C ATOM 1104 C ILE A 66 -0.390 -8.561 0.876 1.00 0.13 C ATOM 1105 O ILE A 66 -1.225 -9.460 0.848 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.031 -6.322 0.084 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.574 -4.865 0.233 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.508 -6.384 -0.254 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.324 -4.064 1.269 1.00 0.14 C ATOM 0 H ILE A 66 0.501 -5.590 1.954 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.647 -7.200 1.985 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.446 -6.751 -0.729 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.486 -4.857 0.487 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.675 -4.368 -0.732 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.701 -5.794 -1.150 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.797 -7.420 -0.432 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.089 -5.983 0.577 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -0.929 -3.049 1.300 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.382 -4.034 1.010 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.203 -4.530 2.247 1.00 0.14 H new ATOM 1121 N LEU A 67 0.867 -8.724 0.507 1.00 0.12 N ATOM 1122 CA LEU A 67 1.351 -9.933 -0.157 1.00 0.14 C ATOM 1123 C LEU A 67 1.171 -11.176 0.706 1.00 0.16 C ATOM 1124 O LEU A 67 0.921 -12.266 0.199 1.00 0.21 O ATOM 1125 CB LEU A 67 2.827 -9.760 -0.489 1.00 0.15 C ATOM 1126 CG LEU A 67 3.210 -8.364 -0.969 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.679 -8.307 -1.324 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.342 -7.957 -2.147 1.00 0.16 C ATOM 0 H LEU A 67 1.590 -8.020 0.658 1.00 0.12 H new ATOM 0 HA LEU A 67 0.763 -10.074 -1.064 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.416 -10.000 0.396 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.100 -10.482 -1.258 1.00 0.15 H new ATOM 0 HG LEU A 67 3.037 -7.655 -0.160 1.00 0.14 H new ATOM 0 HD11 LEU A 67 4.932 -7.303 -1.664 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.275 -8.554 -0.446 1.00 0.16 H new ATOM 0 HD13 LEU A 67 4.889 -9.023 -2.118 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.626 -6.959 -2.480 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.482 -8.665 -2.964 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.295 -7.955 -1.844 1.00 0.16 H new ATOM 1140 N THR A 68 1.315 -11.001 2.003 1.00 0.15 N ATOM 1141 CA THR A 68 1.240 -12.112 2.939 1.00 0.18 C ATOM 1142 C THR A 68 0.036 -11.961 3.873 1.00 0.18 C ATOM 1143 O THR A 68 -0.411 -12.925 4.496 1.00 0.23 O ATOM 1144 CB THR A 68 2.550 -12.196 3.753 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.455 -13.180 4.794 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.887 -10.840 4.348 1.00 0.20 C ATOM 0 H THR A 68 1.486 -10.095 2.439 1.00 0.15 H new ATOM 0 HA THR A 68 1.110 -13.036 2.375 1.00 0.18 H new ATOM 0 HB THR A 68 3.347 -12.498 3.074 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.299 -13.212 5.292 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.812 -10.913 4.919 1.00 0.20 H new ATOM 0 HG22 THR A 68 3.012 -10.112 3.547 1.00 0.20 H new ATOM 0 HG23 THR A 68 2.079 -10.520 5.006 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.496 -10.752 3.949 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.618 -10.459 4.827 1.00 0.19 C ATOM 1156 C ASP A 69 -2.933 -10.690 4.094 1.00 0.17 C ATOM 1157 O ASP A 69 -3.238 -9.999 3.120 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.543 -9.009 5.302 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.434 -8.726 6.491 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.661 -8.914 6.384 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -1.912 -8.266 7.528 1.00 0.58 O ATOM 0 H ASP A 69 -0.166 -9.952 3.409 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.570 -11.123 5.690 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.512 -8.772 5.564 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.823 -8.349 4.481 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.709 -11.652 4.572 1.00 0.19 N ATOM 1167 CA ALA A 70 -4.964 -12.024 3.927 1.00 0.21 C ATOM 1168 C ALA A 70 -5.998 -10.919 4.041 1.00 0.18 C ATOM 1169 O ALA A 70 -6.886 -10.805 3.200 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.505 -13.308 4.529 1.00 0.27 C ATOM 0 H ALA A 70 -3.492 -12.193 5.409 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.758 -12.183 2.868 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.441 -13.574 4.038 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -4.781 -14.110 4.387 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.682 -13.164 5.595 1.00 0.27 H new ATOM 1176 N THR A 71 -5.882 -10.108 5.073 1.00 0.17 N ATOM 1177 CA THR A 71 -6.789 -8.997 5.255 1.00 0.17 C ATOM 1178 C THR A 71 -6.495 -7.904 4.234 1.00 0.14 C ATOM 1179 O THR A 71 -7.382 -7.450 3.525 1.00 0.15 O ATOM 1180 CB THR A 71 -6.691 -8.415 6.672 1.00 0.20 C ATOM 1181 OG1 THR A 71 -6.957 -9.439 7.642 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.675 -7.272 6.841 1.00 0.21 C ATOM 0 H THR A 71 -5.169 -10.199 5.797 1.00 0.17 H new ATOM 0 HA THR A 71 -7.802 -9.372 5.109 1.00 0.17 H new ATOM 0 HB THR A 71 -5.682 -8.033 6.825 1.00 0.20 H new ATOM 0 HG1 THR A 71 -6.891 -9.061 8.544 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.595 -6.869 7.851 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.450 -6.488 6.118 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.689 -7.637 6.676 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.239 -7.499 4.150 1.00 0.13 N ATOM 1191 CA LYS A 72 -4.824 -6.494 3.199 1.00 0.13 C ATOM 1192 C LYS A 72 -5.067 -6.994 1.782 1.00 0.12 C ATOM 1193 O LYS A 72 -5.488 -6.238 0.919 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.346 -6.139 3.407 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.058 -5.241 4.614 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.696 -5.761 5.895 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.179 -5.048 7.137 1.00 0.24 C ATOM 1198 NZ LYS A 72 -1.807 -5.494 7.511 1.00 0.71 N ATOM 0 H LYS A 72 -4.486 -7.858 4.737 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.413 -5.590 3.355 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.778 -7.063 3.517 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -2.977 -5.644 2.509 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -1.980 -5.163 4.755 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -3.427 -4.236 4.411 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.777 -5.639 5.834 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -3.501 -6.830 5.986 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -3.174 -3.972 6.961 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -3.859 -5.232 7.969 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -1.657 -5.338 8.528 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -1.700 -6.506 7.296 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -1.105 -4.949 6.970 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.831 -8.281 1.548 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.086 -8.868 0.237 1.00 0.15 C ATOM 1214 C ARG A 73 -6.582 -8.859 -0.052 1.00 0.16 C ATOM 1215 O ARG A 73 -7.009 -8.782 -1.204 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.564 -10.298 0.174 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.189 -10.744 -1.231 1.00 0.38 C ATOM 1218 CD ARG A 73 -2.865 -10.135 -1.678 1.00 0.47 C ATOM 1219 NE ARG A 73 -2.553 -10.461 -3.067 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.350 -10.297 -3.614 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -0.357 -9.798 -2.899 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -1.132 -10.626 -4.878 1.00 0.97 N ATOM 0 H ARG A 73 -4.467 -8.933 2.243 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.565 -8.273 -0.513 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.691 -10.387 0.820 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.324 -10.972 0.570 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -4.119 -11.831 -1.262 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -4.976 -10.456 -1.927 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -2.906 -9.052 -1.560 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.064 -10.495 -1.032 1.00 0.47 H new ATOM 0 HE ARG A 73 -3.300 -10.836 -3.652 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -0.511 -9.537 -1.925 1.00 1.45 H new ATOM 0 HH12 ARG A 73 0.563 -9.674 -3.321 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -1.890 -11.009 -5.443 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -0.206 -10.496 -5.286 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.366 -8.926 1.014 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.813 -8.847 0.916 1.00 0.18 C ATOM 1238 C ASN A 74 -9.230 -7.460 0.469 1.00 0.17 C ATOM 1239 O ASN A 74 -10.155 -7.301 -0.327 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.442 -9.181 2.265 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.203 -10.478 2.263 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -11.386 -10.524 1.923 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -9.538 -11.535 2.668 1.00 0.43 N ATOM 0 H ASN A 74 -7.018 -9.036 1.966 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.160 -9.569 0.177 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.658 -9.229 3.021 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.115 -8.374 2.554 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.001 -12.443 2.711 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -8.559 -11.448 2.940 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.532 -6.458 0.977 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.755 -5.095 0.541 1.00 0.13 C ATOM 1252 C ILE A 75 -8.186 -4.905 -0.859 1.00 0.14 C ATOM 1253 O ILE A 75 -8.783 -4.232 -1.676 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.156 -4.045 1.519 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.058 -3.869 2.745 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -7.954 -2.694 0.825 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.143 -5.084 3.639 1.00 0.20 C ATOM 0 H ILE A 75 -7.809 -6.565 1.689 1.00 0.13 H new ATOM 0 HA ILE A 75 -9.832 -4.929 0.528 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.184 -4.416 1.844 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.692 -3.027 3.332 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.062 -3.611 2.408 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.534 -1.980 1.534 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.271 -2.815 -0.016 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -8.913 -2.324 0.463 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -9.802 -4.871 4.481 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.540 -5.926 3.072 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.149 -5.333 4.010 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.052 -5.542 -1.131 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.409 -5.492 -2.447 1.00 0.18 C ATOM 1271 C TYR A 76 -7.392 -5.820 -3.573 1.00 0.19 C ATOM 1272 O TYR A 76 -7.306 -5.261 -4.668 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.217 -6.461 -2.467 1.00 0.21 C ATOM 1274 CG TYR A 76 -4.850 -6.994 -3.839 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.069 -6.256 -4.718 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.289 -8.247 -4.249 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -3.741 -6.752 -5.967 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -4.963 -8.746 -5.494 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.190 -7.997 -6.349 1.00 0.41 C ATOM 1280 OH TYR A 76 -3.865 -8.496 -7.591 1.00 0.52 O ATOM 0 H TYR A 76 -6.550 -6.109 -0.448 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.056 -4.475 -2.619 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.349 -5.954 -2.046 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.442 -7.304 -1.814 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -3.712 -5.280 -4.422 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -5.896 -8.841 -3.582 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.135 -6.165 -6.641 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.314 -9.722 -5.795 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.261 -9.386 -7.700 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.325 -6.722 -3.299 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.316 -7.126 -4.295 1.00 0.22 C ATOM 1292 C ASP A 77 -10.427 -6.078 -4.434 1.00 0.22 C ATOM 1293 O ASP A 77 -11.146 -6.045 -5.433 1.00 0.30 O ATOM 1294 CB ASP A 77 -9.913 -8.483 -3.910 1.00 0.31 C ATOM 1295 CG ASP A 77 -10.919 -9.004 -4.920 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -10.497 -9.521 -5.975 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -12.139 -8.916 -4.656 1.00 1.74 O ATOM 0 H ASP A 77 -8.419 -7.189 -2.397 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.816 -7.211 -5.260 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -9.107 -9.209 -3.802 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.397 -8.397 -2.937 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.544 -5.207 -3.440 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.618 -4.220 -3.402 1.00 0.21 C ATOM 1304 C LYS A 78 -11.074 -2.809 -3.632 1.00 0.20 C ATOM 1305 O LYS A 78 -11.445 -2.129 -4.587 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.318 -4.274 -2.044 1.00 0.22 C ATOM 1307 CG LYS A 78 -12.866 -5.643 -1.682 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.353 -5.668 -0.245 1.00 0.33 C ATOM 1309 CE LYS A 78 -13.962 -7.009 0.126 1.00 1.31 C ATOM 1310 NZ LYS A 78 -14.414 -7.025 1.541 1.00 1.92 N ATOM 0 H LYS A 78 -9.906 -5.163 -2.646 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.326 -4.455 -4.197 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.615 -3.960 -1.272 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.137 -3.554 -2.041 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.686 -5.900 -2.353 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.092 -6.398 -1.821 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -12.520 -5.451 0.424 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -14.093 -4.881 -0.099 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -14.806 -7.221 -0.530 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -13.229 -7.800 -0.033 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -14.825 -7.954 1.764 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -13.603 -6.846 2.167 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -15.131 -6.286 1.685 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.193 -2.389 -2.741 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.561 -1.082 -2.808 1.00 0.19 C ATOM 1326 C TYR A 79 -8.087 -1.255 -3.151 1.00 0.21 C ATOM 1327 O TYR A 79 -7.393 -2.041 -2.510 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.675 -0.357 -1.462 1.00 0.23 C ATOM 1329 CG TYR A 79 -11.088 -0.170 -0.947 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -11.743 -1.193 -0.270 1.00 0.50 C ATOM 1331 CD2 TYR A 79 -11.755 1.038 -1.113 1.00 0.60 C ATOM 1332 CE1 TYR A 79 -13.023 -1.020 0.222 1.00 0.65 C ATOM 1333 CE2 TYR A 79 -13.037 1.218 -0.625 1.00 0.75 C ATOM 1334 CZ TYR A 79 -13.666 0.186 0.041 1.00 0.72 C ATOM 1335 OH TYR A 79 -14.938 0.365 0.540 1.00 0.88 O ATOM 0 H TYR A 79 -9.893 -2.950 -1.944 1.00 0.18 H new ATOM 0 HA TYR A 79 -10.063 -0.491 -3.574 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -9.105 -0.914 -0.718 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -9.207 0.623 -1.554 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.243 -2.139 -0.126 1.00 0.50 H new ATOM 0 HD2 TYR A 79 -11.265 1.849 -1.631 1.00 0.60 H new ATOM 0 HE1 TYR A 79 -13.517 -1.825 0.745 1.00 0.65 H new ATOM 0 HE2 TYR A 79 -13.543 2.162 -0.765 1.00 0.75 H new ATOM 0 HH TYR A 79 -15.290 1.227 0.236 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.606 -0.546 -4.160 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.195 -0.609 -4.485 1.00 0.25 C ATOM 1347 C GLY A 80 -5.326 0.098 -3.458 1.00 0.20 C ATOM 1348 O GLY A 80 -5.589 0.040 -2.255 1.00 0.22 O ATOM 0 H GLY A 80 -8.161 0.068 -4.756 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.889 -1.653 -4.557 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -6.031 -0.160 -5.465 1.00 0.25 H new ATOM 1352 N SER A 81 -4.308 0.791 -3.945 1.00 0.23 N ATOM 1353 CA SER A 81 -3.311 1.432 -3.097 1.00 0.25 C ATOM 1354 C SER A 81 -3.931 2.304 -1.998 1.00 0.23 C ATOM 1355 O SER A 81 -3.442 2.319 -0.887 1.00 0.25 O ATOM 1356 CB SER A 81 -2.379 2.266 -3.976 1.00 0.34 C ATOM 1357 OG SER A 81 -1.913 1.499 -5.076 1.00 0.41 O ATOM 0 H SER A 81 -4.148 0.926 -4.943 1.00 0.23 H new ATOM 0 HA SER A 81 -2.754 0.647 -2.585 1.00 0.25 H new ATOM 0 HB2 SER A 81 -2.905 3.149 -4.338 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.533 2.618 -3.387 1.00 0.34 H new ATOM 0 HG SER A 81 -1.853 2.070 -5.871 1.00 0.41 H new ATOM 1363 N LEU A 82 -4.998 3.037 -2.300 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.622 3.890 -1.281 1.00 0.25 C ATOM 1365 C LEU A 82 -6.147 3.082 -0.113 1.00 0.22 C ATOM 1366 O LEU A 82 -5.753 3.315 1.026 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.758 4.740 -1.848 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.553 5.504 -0.782 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.641 6.416 0.022 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -8.670 6.306 -1.416 1.00 0.69 C ATOM 0 H LEU A 82 -5.444 3.062 -3.217 1.00 0.23 H new ATOM 0 HA LEU A 82 -4.831 4.554 -0.932 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.344 5.454 -2.560 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.439 4.095 -2.403 1.00 0.29 H new ATOM 0 HG LEU A 82 -7.994 4.773 -0.105 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.227 6.947 0.772 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -5.874 5.820 0.517 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.167 7.136 -0.645 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.220 6.839 -0.641 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.249 7.023 -2.121 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.347 5.634 -1.944 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.041 2.147 -0.394 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.622 1.362 0.662 1.00 0.23 C ATOM 1384 C GLY A 83 -6.565 0.639 1.454 1.00 0.21 C ATOM 1385 O GLY A 83 -6.681 0.501 2.664 1.00 0.23 O ATOM 0 H GLY A 83 -7.371 1.922 -1.333 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.196 2.009 1.325 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.320 0.639 0.239 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.515 0.221 0.772 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.412 -0.475 1.418 1.00 0.20 C ATOM 1391 C LEU A 84 -3.520 0.488 2.193 1.00 0.21 C ATOM 1392 O LEU A 84 -3.083 0.176 3.291 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.589 -1.229 0.389 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.321 -2.370 -0.303 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.454 -2.972 -1.395 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.701 -3.418 0.721 1.00 0.30 C ATOM 0 H LEU A 84 -5.400 0.351 -0.233 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.839 -1.184 2.127 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.246 -0.524 -0.368 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.701 -1.629 0.878 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.228 -1.986 -0.770 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -3.993 -3.786 -1.880 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.214 -2.206 -2.133 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.532 -3.356 -0.958 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.225 -4.236 0.227 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -3.800 -3.801 1.201 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.351 -2.972 1.474 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.263 1.653 1.621 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.461 2.684 2.271 1.00 0.23 C ATOM 1410 C TYR A 85 -2.967 2.955 3.683 1.00 0.24 C ATOM 1411 O TYR A 85 -2.185 3.146 4.612 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.485 3.960 1.405 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.688 5.257 2.160 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -3.962 5.748 2.408 1.00 0.28 C ATOM 1415 CD2 TYR A 85 -1.598 5.975 2.643 1.00 0.38 C ATOM 1416 CE1 TYR A 85 -4.149 6.920 3.116 1.00 0.37 C ATOM 1417 CE2 TYR A 85 -1.777 7.150 3.347 1.00 0.45 C ATOM 1418 CZ TYR A 85 -3.067 7.657 3.508 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.239 8.777 4.299 1.00 0.52 O ATOM 0 H TYR A 85 -3.602 1.913 0.695 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.430 2.341 2.364 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.546 4.023 0.856 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.280 3.862 0.666 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -4.821 5.206 2.042 1.00 0.28 H new ATOM 0 HD2 TYR A 85 -0.598 5.608 2.465 1.00 0.38 H new ATOM 0 HE1 TYR A 85 -5.147 7.253 3.359 1.00 0.37 H new ATOM 0 HE2 TYR A 85 -0.929 7.670 3.768 1.00 0.45 H new ATOM 0 HH TYR A 85 -2.367 9.182 4.486 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.274 2.962 3.837 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.873 3.169 5.141 1.00 0.25 C ATOM 1431 C VAL A 86 -5.109 1.840 5.885 1.00 0.24 C ATOM 1432 O VAL A 86 -4.934 1.765 7.104 1.00 0.27 O ATOM 1433 CB VAL A 86 -6.188 3.984 5.009 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.997 3.524 3.808 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -7.028 3.897 6.271 1.00 0.32 C ATOM 0 H VAL A 86 -4.942 2.827 3.078 1.00 0.23 H new ATOM 0 HA VAL A 86 -4.169 3.745 5.742 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.907 5.027 4.861 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.913 4.111 3.739 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.410 3.660 2.900 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.250 2.470 3.922 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.940 4.479 6.142 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.287 2.856 6.465 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.461 4.293 7.113 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.465 0.786 5.160 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.804 -0.492 5.792 1.00 0.24 C ATOM 1447 C ALA A 87 -4.572 -1.277 6.218 1.00 0.22 C ATOM 1448 O ALA A 87 -4.568 -1.914 7.267 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.652 -1.349 4.873 1.00 0.25 C ATOM 0 H ALA A 87 -5.527 0.786 4.142 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.374 -0.245 6.688 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -6.888 -2.291 5.369 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.576 -0.823 4.635 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.102 -1.551 3.954 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.531 -1.242 5.410 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.338 -2.011 5.697 1.00 0.21 C ATOM 1457 C GLU A 88 -1.567 -1.343 6.826 1.00 0.20 C ATOM 1458 O GLU A 88 -0.965 -2.012 7.664 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.491 -2.172 4.415 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.244 -1.298 4.326 1.00 0.25 C ATOM 1461 CD GLU A 88 0.964 -1.930 5.004 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.512 -2.897 4.451 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.360 -1.482 6.101 1.00 1.24 O ATOM 0 H GLU A 88 -3.487 -0.691 4.553 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.606 -3.014 6.028 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.186 -3.215 4.333 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.125 -1.956 3.555 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.011 -1.110 3.278 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.449 -0.331 4.785 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.639 -0.023 6.868 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.895 0.752 7.844 1.00 0.24 C ATOM 1472 C GLN A 89 -1.642 0.874 9.172 1.00 0.29 C ATOM 1473 O GLN A 89 -1.018 0.872 10.235 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.589 2.136 7.276 1.00 0.25 C ATOM 1475 CG GLN A 89 0.390 2.114 6.111 1.00 0.27 C ATOM 1476 CD GLN A 89 1.796 1.708 6.528 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.207 1.939 7.669 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.550 1.101 5.615 1.00 0.38 N ATOM 0 H GLN A 89 -2.209 0.536 6.233 1.00 0.22 H new ATOM 0 HA GLN A 89 0.037 0.226 8.048 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.520 2.599 6.949 1.00 0.25 H new ATOM 0 HB3 GLN A 89 -0.183 2.763 8.069 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.027 1.422 5.351 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.423 3.102 5.652 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.178 0.926 4.681 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.500 0.811 5.849 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.969 0.984 9.122 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.756 1.157 10.346 1.00 0.34 C ATOM 1489 C PHE A 90 -4.857 0.108 10.481 1.00 0.37 C ATOM 1490 O PHE A 90 -5.095 -0.411 11.573 1.00 0.43 O ATOM 1491 CB PHE A 90 -4.380 2.552 10.387 1.00 0.37 C ATOM 1492 CG PHE A 90 -3.379 3.669 10.485 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.886 4.069 11.717 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -2.934 4.321 9.346 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.965 5.095 11.808 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -2.015 5.348 9.432 1.00 0.53 C ATOM 1497 CZ PHE A 90 -1.529 5.737 10.665 1.00 0.62 C ATOM 0 H PHE A 90 -3.517 0.957 8.262 1.00 0.29 H new ATOM 0 HA PHE A 90 -3.068 1.032 11.182 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.982 2.696 9.490 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -5.058 2.610 11.238 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -3.225 3.574 12.615 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -3.311 4.022 8.379 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -1.586 5.395 12.774 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.676 5.847 8.536 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.811 6.540 10.735 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.538 -0.200 9.386 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.571 -1.217 9.433 1.00 0.41 C ATOM 1509 C GLY A 91 -7.868 -0.769 8.796 1.00 0.43 C ATOM 1510 O GLY A 91 -8.460 0.233 9.199 1.00 0.51 O ATOM 0 H GLY A 91 -5.396 0.232 8.473 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.214 -2.114 8.926 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.758 -1.490 10.472 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.318 -1.531 7.814 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.547 -1.227 7.091 1.00 0.47 C ATOM 1516 C GLU A 92 -10.739 -1.289 8.028 1.00 0.54 C ATOM 1517 O GLU A 92 -11.708 -0.539 7.885 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.696 -2.207 5.922 1.00 0.50 C ATOM 1519 CG GLU A 92 -11.005 -2.104 5.150 1.00 0.92 C ATOM 1520 CD GLU A 92 -12.071 -3.054 5.666 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -11.735 -3.960 6.461 1.00 2.69 O ATOM 1522 OE2 GLU A 92 -13.246 -2.913 5.264 1.00 2.23 O ATOM 0 H GLU A 92 -7.845 -2.376 7.494 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.502 -0.214 6.691 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.870 -2.048 5.228 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -9.598 -3.223 6.306 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -11.377 -1.081 5.210 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -10.817 -2.314 4.097 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.626 -2.160 9.004 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.653 -2.352 10.003 1.00 0.66 C ATOM 1531 C GLU A 93 -12.056 -1.047 10.679 1.00 0.68 C ATOM 1532 O GLU A 93 -13.243 -0.752 10.815 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.148 -3.330 11.059 1.00 0.70 C ATOM 1534 CG GLU A 93 -9.665 -3.154 11.347 1.00 0.68 C ATOM 1535 CD GLU A 93 -8.815 -4.169 10.616 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -8.550 -3.977 9.415 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -8.392 -5.157 11.251 1.00 1.33 O ATOM 0 H GLU A 93 -9.811 -2.761 9.128 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.535 -2.747 9.498 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -11.714 -3.191 11.980 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.332 -4.351 10.723 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.357 -2.149 11.057 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -9.492 -3.243 12.419 1.00 0.68 H new ATOM 1544 N ASN A 94 -11.071 -0.268 11.100 1.00 0.61 N ATOM 1545 CA ASN A 94 -11.342 0.906 11.912 1.00 0.64 C ATOM 1546 C ASN A 94 -11.310 2.196 11.107 1.00 0.65 C ATOM 1547 O ASN A 94 -12.338 2.841 10.908 1.00 0.81 O ATOM 1548 CB ASN A 94 -10.380 0.997 13.110 1.00 0.63 C ATOM 1549 CG ASN A 94 -9.106 0.188 12.926 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -9.045 -0.979 13.302 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -8.071 0.797 12.370 1.00 0.70 N ATOM 0 H ASN A 94 -10.085 -0.426 10.894 1.00 0.61 H new ATOM 0 HA ASN A 94 -12.357 0.785 12.290 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -10.117 2.042 13.276 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -10.895 0.651 14.006 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -7.192 0.296 12.244 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -8.153 1.768 12.068 1.00 0.70 H new ATOM 1558 N VAL A 95 -10.138 2.555 10.628 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.931 3.864 10.020 1.00 0.58 C ATOM 1560 C VAL A 95 -10.508 3.945 8.613 1.00 0.62 C ATOM 1561 O VAL A 95 -10.961 5.003 8.186 1.00 0.76 O ATOM 1562 CB VAL A 95 -8.440 4.226 9.985 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -7.961 4.636 11.366 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.639 3.047 9.481 1.00 0.49 C ATOM 0 H VAL A 95 -9.309 1.961 10.645 1.00 0.54 H new ATOM 0 HA VAL A 95 -10.462 4.582 10.645 1.00 0.58 H new ATOM 0 HB VAL A 95 -8.297 5.068 9.308 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -6.902 4.889 11.323 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -8.528 5.503 11.705 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -8.109 3.811 12.062 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.581 3.309 9.458 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.788 2.196 10.145 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.970 2.785 8.476 1.00 0.49 H new ATOM 1574 N ASN A 96 -10.507 2.831 7.895 1.00 0.57 N ATOM 1575 CA ASN A 96 -11.024 2.813 6.528 1.00 0.68 C ATOM 1576 C ASN A 96 -12.537 2.919 6.539 1.00 0.85 C ATOM 1577 O ASN A 96 -13.130 3.568 5.681 1.00 1.03 O ATOM 1578 CB ASN A 96 -10.615 1.532 5.805 1.00 0.69 C ATOM 1579 CG ASN A 96 -10.977 1.543 4.329 1.00 0.97 C ATOM 1580 OD1 ASN A 96 -10.045 1.970 3.493 1.00 1.85 O flip ATOM 1581 ND2 ASN A 96 -12.077 1.156 3.942 1.00 0.66 N flip ATOM 0 H ASN A 96 -10.158 1.933 8.230 1.00 0.57 H new ATOM 0 HA ASN A 96 -10.600 3.667 5.999 1.00 0.68 H new ATOM 0 HB2 ASN A 96 -9.539 1.390 5.909 1.00 0.69 H new ATOM 0 HB3 ASN A 96 -11.097 0.680 6.285 1.00 0.69 H new ATOM 0 HD21 ASN A 96 -12.771 0.834 4.617 1.00 0.66 H new ATOM 0 HD22 ASN A 96 -12.297 1.157 2.946 1.00 0.66 H new ATOM 1588 N THR A 97 -13.155 2.289 7.527 1.00 0.85 N ATOM 1589 CA THR A 97 -14.601 2.287 7.631 1.00 1.05 C ATOM 1590 C THR A 97 -15.106 3.660 8.092 1.00 1.15 C ATOM 1591 O THR A 97 -16.286 3.987 7.952 1.00 1.33 O ATOM 1592 CB THR A 97 -15.089 1.177 8.599 1.00 1.09 C ATOM 1593 OG1 THR A 97 -16.370 0.688 8.181 1.00 1.33 O ATOM 1594 CG2 THR A 97 -15.191 1.681 10.031 1.00 1.08 C ATOM 0 H THR A 97 -12.676 1.774 8.266 1.00 0.85 H new ATOM 0 HA THR A 97 -15.011 2.077 6.643 1.00 1.05 H new ATOM 0 HB THR A 97 -14.353 0.373 8.570 1.00 1.09 H new ATOM 0 HG1 THR A 97 -16.669 -0.013 8.797 1.00 1.33 H new ATOM 0 HG21 THR A 97 -15.536 0.874 10.677 1.00 1.08 H new ATOM 0 HG22 THR A 97 -14.212 2.022 10.367 1.00 1.08 H new ATOM 0 HG23 THR A 97 -15.898 2.509 10.076 1.00 1.08 H new ATOM 1602 N TYR A 98 -14.191 4.461 8.628 1.00 1.07 N ATOM 1603 CA TYR A 98 -14.517 5.787 9.129 1.00 1.22 C ATOM 1604 C TYR A 98 -14.157 6.844 8.090 1.00 1.24 C ATOM 1605 O TYR A 98 -14.987 7.679 7.732 1.00 1.41 O ATOM 1606 CB TYR A 98 -13.758 6.041 10.433 1.00 1.27 C ATOM 1607 CG TYR A 98 -14.118 7.334 11.131 1.00 1.63 C ATOM 1608 CD1 TYR A 98 -15.243 7.421 11.940 1.00 1.80 C ATOM 1609 CD2 TYR A 98 -13.339 8.472 10.968 1.00 1.99 C ATOM 1610 CE1 TYR A 98 -15.583 8.605 12.566 1.00 2.16 C ATOM 1611 CE2 TYR A 98 -13.670 9.658 11.593 1.00 2.45 C ATOM 1612 CZ TYR A 98 -14.763 9.702 12.439 1.00 2.47 C ATOM 1613 OH TYR A 98 -15.132 10.903 13.008 1.00 2.92 O ATOM 0 H TYR A 98 -13.208 4.209 8.726 1.00 1.07 H new ATOM 0 HA TYR A 98 -15.588 5.846 9.323 1.00 1.22 H new ATOM 0 HB2 TYR A 98 -13.946 5.211 11.115 1.00 1.27 H new ATOM 0 HB3 TYR A 98 -12.689 6.044 10.221 1.00 1.27 H new ATOM 0 HD1 TYR A 98 -15.863 6.548 12.082 1.00 1.80 H new ATOM 0 HD2 TYR A 98 -12.460 8.429 10.342 1.00 1.99 H new ATOM 0 HE1 TYR A 98 -16.488 8.669 13.152 1.00 2.16 H new ATOM 0 HE2 TYR A 98 -13.079 10.546 11.422 1.00 2.45 H new ATOM 0 HH TYR A 98 -14.443 11.576 12.827 1.00 2.92 H new ATOM 1623 N PHE A 99 -12.910 6.763 7.608 1.00 1.23 N ATOM 1624 CA PHE A 99 -12.337 7.675 6.624 1.00 1.37 C ATOM 1625 C PHE A 99 -12.735 9.139 6.855 1.00 1.73 C ATOM 1626 O PHE A 99 -13.013 9.543 7.987 1.00 2.11 O ATOM 1627 CB PHE A 99 -12.641 7.182 5.197 1.00 1.72 C ATOM 1628 CG PHE A 99 -14.096 7.147 4.788 1.00 2.74 C ATOM 1629 CD1 PHE A 99 -14.867 6.020 5.024 1.00 3.29 C ATOM 1630 CD2 PHE A 99 -14.680 8.225 4.145 1.00 3.47 C ATOM 1631 CE1 PHE A 99 -16.191 5.973 4.636 1.00 4.51 C ATOM 1632 CE2 PHE A 99 -16.004 8.182 3.750 1.00 4.65 C ATOM 1633 CZ PHE A 99 -16.761 7.054 3.997 1.00 5.17 C ATOM 0 H PHE A 99 -12.257 6.038 7.904 1.00 1.23 H new ATOM 0 HA PHE A 99 -11.255 7.664 6.753 1.00 1.37 H new ATOM 0 HB2 PHE A 99 -12.105 7.820 4.495 1.00 1.72 H new ATOM 0 HB3 PHE A 99 -12.233 6.177 5.090 1.00 1.72 H new ATOM 0 HD1 PHE A 99 -14.426 5.167 5.518 1.00 3.29 H new ATOM 0 HD2 PHE A 99 -14.094 9.111 3.950 1.00 3.47 H new ATOM 0 HE1 PHE A 99 -16.780 5.090 4.833 1.00 4.51 H new ATOM 0 HE2 PHE A 99 -16.446 9.030 3.248 1.00 4.65 H new ATOM 0 HZ PHE A 99 -17.796 7.018 3.691 1.00 5.17 H new ATOM 1643 N VAL A 100 -12.684 9.937 5.797 1.00 1.96 N ATOM 1644 CA VAL A 100 -12.990 11.363 5.879 1.00 2.64 C ATOM 1645 C VAL A 100 -14.381 11.608 6.461 1.00 3.27 C ATOM 1646 O VAL A 100 -14.471 12.007 7.641 1.00 3.70 O ATOM 1647 CB VAL A 100 -12.888 12.031 4.502 1.00 2.78 C ATOM 1648 CG1 VAL A 100 -13.160 13.526 4.591 1.00 2.91 C ATOM 1649 CG2 VAL A 100 -11.530 11.764 3.873 1.00 3.58 C ATOM 1650 OXT VAL A 100 -15.380 11.396 5.743 1.00 3.84 O ATOM 0 H VAL A 100 -12.431 9.619 4.862 1.00 1.96 H new ATOM 0 HA VAL A 100 -12.251 11.806 6.546 1.00 2.64 H new ATOM 0 HB VAL A 100 -13.653 11.593 3.861 1.00 2.78 H new ATOM 0 HG11 VAL A 100 -13.080 13.970 3.599 1.00 2.91 H new ATOM 0 HG12 VAL A 100 -14.164 13.690 4.982 1.00 2.91 H new ATOM 0 HG13 VAL A 100 -12.431 13.990 5.256 1.00 2.91 H new ATOM 0 HG21 VAL A 100 -11.480 12.247 2.897 1.00 3.58 H new ATOM 0 HG22 VAL A 100 -10.746 12.164 4.516 1.00 3.58 H new ATOM 0 HG23 VAL A 100 -11.389 10.690 3.754 1.00 3.58 H new TER 1660 VAL A 100