USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 CYS SG : rot 90:sc= -2.38! USER MOD Set 1.2: A 43 HIS : no HE2:sc= -8.83! C(o=-11!,f=-14!) USER MOD Set 1.3: A 45 GLN : amide:sc= -0.0722 K(o=-11,f=-14!) USER MOD Set 2.1: A 3 THR OG1 : rot -113:sc= 0.0228 USER MOD Set 2.2: A 28 HIS : no HD1:sc= -0.2 X(o=-0.18,f=-0.017) USER MOD Single : A 1 GLY N :NH3+ 170:sc= -0.0706 (180deg=-0.298) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -2.4! C(o=-2.4!,f=-4.5!) USER MOD Single : A 14 GLN : amide:sc= -0.493 K(o=-0.49,f=-1.9!) USER MOD Single : A 30 MET CE :methyl -179:sc= 0 (180deg=-0.0024) USER MOD Single : A 32 ASN :FLIP amide:sc= 0.354 F(o=-2.5!,f=0.35) USER MOD Single : A 33 SER OG : rot 75:sc= 0.172 USER MOD Single : A 36 ASN : amide:sc= 1.1 K(o=1.1,f=-0.28) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0996 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.62! X(o=-1.6!,f=-1.4) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.73 K(o=-1.7,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.938 2.219 1.224 1.00 3.94 N ATOM 2 CA GLY A 1 -2.489 1.490 0.003 1.00 4.93 C ATOM 3 C GLY A 1 -1.820 0.171 0.402 1.00 3.93 C ATOM 4 O GLY A 1 -1.052 -0.392 -0.351 1.00 3.76 O ATOM 0 H1 GLY A 1 -3.235 3.181 0.964 1.00 3.94 H new ATOM 0 H2 GLY A 1 -3.738 1.714 1.655 1.00 3.94 H new ATOM 0 H3 GLY A 1 -2.154 2.271 1.905 1.00 3.94 H new ATOM 0 HA2 GLY A 1 -3.341 1.294 -0.648 1.00 4.93 H new ATOM 0 HA3 GLY A 1 -1.790 2.106 -0.563 1.00 4.93 H new ATOM 10 N SER A 2 -2.130 -0.289 1.583 1.00 3.51 N ATOM 11 CA SER A 2 -1.528 -1.563 2.059 1.00 2.92 C ATOM 12 C SER A 2 -2.204 -2.021 3.348 1.00 2.11 C ATOM 13 O SER A 2 -1.686 -2.852 4.064 1.00 2.96 O ATOM 14 CB SER A 2 -0.042 -1.321 2.346 1.00 3.91 C ATOM 15 OG SER A 2 -0.042 -0.525 3.521 1.00 3.21 O ATOM 0 H SER A 2 -2.772 0.161 2.236 1.00 3.51 H new ATOM 0 HA SER A 2 -1.659 -2.329 1.295 1.00 2.92 H new ATOM 0 HB2 SER A 2 0.492 -2.259 2.500 1.00 3.91 H new ATOM 0 HB3 SER A 2 0.446 -0.808 1.517 1.00 3.91 H new ATOM 0 HG SER A 2 0.882 -0.323 3.779 1.00 3.21 H new ATOM 21 N THR A 3 -3.351 -1.460 3.612 1.00 1.32 N ATOM 22 CA THR A 3 -4.091 -1.836 4.847 1.00 0.71 C ATOM 23 C THR A 3 -4.764 -3.187 4.698 1.00 1.02 C ATOM 24 O THR A 3 -4.874 -3.707 3.614 1.00 2.52 O ATOM 25 CB THR A 3 -5.202 -0.819 5.073 1.00 0.74 C ATOM 26 OG1 THR A 3 -6.346 -1.414 4.491 1.00 0.78 O ATOM 27 CG2 THR A 3 -4.972 0.435 4.239 1.00 1.50 C ATOM 0 H THR A 3 -3.806 -0.759 3.027 1.00 1.32 H new ATOM 0 HA THR A 3 -3.377 -1.867 5.670 1.00 0.71 H new ATOM 0 HB THR A 3 -5.271 -0.566 6.131 1.00 0.74 H new ATOM 0 HG1 THR A 3 -6.625 -0.892 3.710 1.00 0.78 H new ATOM 0 HG21 THR A 3 -5.779 1.145 4.419 1.00 1.50 H new ATOM 0 HG22 THR A 3 -4.021 0.889 4.519 1.00 1.50 H new ATOM 0 HG23 THR A 3 -4.951 0.170 3.182 1.00 1.50 H new ATOM 35 N TYR A 4 -5.168 -3.742 5.803 1.00 0.46 N ATOM 36 CA TYR A 4 -5.844 -5.070 5.747 1.00 0.30 C ATOM 37 C TYR A 4 -6.159 -5.617 7.148 1.00 0.26 C ATOM 38 O TYR A 4 -5.473 -5.323 8.105 1.00 0.36 O ATOM 39 CB TYR A 4 -4.933 -6.058 5.006 1.00 0.42 C ATOM 40 CG TYR A 4 -5.467 -6.297 3.587 1.00 0.23 C ATOM 41 CD1 TYR A 4 -6.747 -6.773 3.390 1.00 0.57 C ATOM 42 CD2 TYR A 4 -4.679 -6.026 2.485 1.00 0.40 C ATOM 43 CE1 TYR A 4 -7.233 -6.971 2.116 1.00 0.83 C ATOM 44 CE2 TYR A 4 -5.166 -6.224 1.209 1.00 0.78 C ATOM 45 CZ TYR A 4 -6.447 -6.697 1.014 1.00 0.93 C ATOM 46 OH TYR A 4 -6.936 -6.895 -0.260 1.00 1.32 O ATOM 0 H TYR A 4 -5.062 -3.341 6.735 1.00 0.46 H new ATOM 0 HA TYR A 4 -6.791 -4.947 5.222 1.00 0.30 H new ATOM 0 HB2 TYR A 4 -3.917 -5.666 4.960 1.00 0.42 H new ATOM 0 HB3 TYR A 4 -4.886 -7.001 5.550 1.00 0.42 H new ATOM 0 HD1 TYR A 4 -7.374 -6.992 4.242 1.00 0.57 H new ATOM 0 HD2 TYR A 4 -3.674 -5.656 2.623 1.00 0.40 H new ATOM 0 HE1 TYR A 4 -8.237 -7.344 1.978 1.00 0.83 H new ATOM 0 HE2 TYR A 4 -4.539 -6.007 0.357 1.00 0.78 H new ATOM 0 HH TYR A 4 -6.250 -6.650 -0.915 1.00 1.32 H new ATOM 56 N VAL A 5 -7.200 -6.406 7.225 1.00 0.13 N ATOM 57 CA VAL A 5 -7.614 -7.011 8.531 1.00 0.10 C ATOM 58 C VAL A 5 -8.070 -8.447 8.305 1.00 0.11 C ATOM 59 O VAL A 5 -7.847 -8.997 7.251 1.00 0.13 O ATOM 60 CB VAL A 5 -8.808 -6.251 9.077 1.00 0.10 C ATOM 61 CG1 VAL A 5 -8.515 -4.747 9.097 1.00 0.15 C ATOM 62 CG2 VAL A 5 -10.008 -6.522 8.173 1.00 0.12 C ATOM 0 H VAL A 5 -7.788 -6.661 6.431 1.00 0.13 H new ATOM 0 HA VAL A 5 -6.770 -6.972 9.219 1.00 0.10 H new ATOM 0 HB VAL A 5 -9.016 -6.580 10.095 1.00 0.10 H new ATOM 0 HG11 VAL A 5 -9.380 -4.213 9.491 1.00 0.15 H new ATOM 0 HG12 VAL A 5 -7.649 -4.553 9.731 1.00 0.15 H new ATOM 0 HG13 VAL A 5 -8.307 -4.403 8.084 1.00 0.15 H new ATOM 0 HG21 VAL A 5 -10.877 -5.983 8.551 1.00 0.12 H new ATOM 0 HG22 VAL A 5 -9.784 -6.186 7.161 1.00 0.12 H new ATOM 0 HG23 VAL A 5 -10.221 -7.591 8.162 1.00 0.12 H new ATOM 72 N GLN A 6 -8.673 -9.032 9.307 1.00 0.09 N ATOM 73 CA GLN A 6 -9.161 -10.437 9.163 1.00 0.11 C ATOM 74 C GLN A 6 -10.472 -10.582 9.903 1.00 0.10 C ATOM 75 O GLN A 6 -10.512 -10.945 11.055 1.00 0.28 O ATOM 76 CB GLN A 6 -8.194 -11.458 9.745 1.00 0.14 C ATOM 77 CG GLN A 6 -6.751 -11.127 9.376 1.00 0.12 C ATOM 78 CD GLN A 6 -5.934 -12.423 9.355 1.00 0.18 C ATOM 79 OE1 GLN A 6 -4.819 -12.476 9.835 1.00 0.28 O ATOM 80 NE2 GLN A 6 -6.454 -13.489 8.808 1.00 0.13 N ATOM 0 H GLN A 6 -8.848 -8.601 10.215 1.00 0.09 H new ATOM 0 HA GLN A 6 -9.266 -10.628 8.095 1.00 0.11 H new ATOM 0 HB2 GLN A 6 -8.298 -11.483 10.830 1.00 0.14 H new ATOM 0 HB3 GLN A 6 -8.447 -12.452 9.377 1.00 0.14 H new ATOM 0 HG2 GLN A 6 -6.713 -10.642 8.401 1.00 0.12 H new ATOM 0 HG3 GLN A 6 -6.329 -10.427 10.097 1.00 0.12 H new ATOM 0 HE21 GLN A 6 -7.390 -13.450 8.404 1.00 0.13 H new ATOM 0 HE22 GLN A 6 -5.924 -14.360 8.785 1.00 0.13 H new ATOM 89 N ALA A 7 -11.506 -10.324 9.189 1.00 0.13 N ATOM 90 CA ALA A 7 -12.879 -10.408 9.749 1.00 0.12 C ATOM 91 C ALA A 7 -12.966 -11.153 11.098 1.00 0.15 C ATOM 92 O ALA A 7 -12.770 -12.351 11.167 1.00 0.13 O ATOM 93 CB ALA A 7 -13.718 -11.130 8.708 1.00 0.10 C ATOM 0 H ALA A 7 -11.467 -10.049 8.208 1.00 0.13 H new ATOM 0 HA ALA A 7 -13.233 -9.399 9.960 1.00 0.12 H new ATOM 0 HB1 ALA A 7 -14.743 -11.222 9.067 1.00 0.10 H new ATOM 0 HB2 ALA A 7 -13.709 -10.564 7.777 1.00 0.10 H new ATOM 0 HB3 ALA A 7 -13.305 -12.123 8.533 1.00 0.10 H new ATOM 99 N LEU A 8 -13.271 -10.410 12.140 1.00 0.21 N ATOM 100 CA LEU A 8 -13.386 -11.015 13.501 1.00 0.25 C ATOM 101 C LEU A 8 -14.528 -12.011 13.518 1.00 0.20 C ATOM 102 O LEU A 8 -14.374 -13.140 13.941 1.00 0.18 O ATOM 103 CB LEU A 8 -13.710 -9.891 14.495 1.00 0.35 C ATOM 104 CG LEU A 8 -13.113 -10.223 15.872 1.00 0.50 C ATOM 105 CD1 LEU A 8 -11.588 -10.031 15.859 1.00 1.42 C ATOM 106 CD2 LEU A 8 -13.723 -9.283 16.914 1.00 1.76 C ATOM 0 H LEU A 8 -13.445 -9.406 12.101 1.00 0.21 H new ATOM 0 HA LEU A 8 -12.456 -11.518 13.765 1.00 0.25 H new ATOM 0 HB2 LEU A 8 -13.307 -8.945 14.132 1.00 0.35 H new ATOM 0 HB3 LEU A 8 -14.790 -9.766 14.577 1.00 0.35 H new ATOM 0 HG LEU A 8 -13.336 -11.262 16.115 1.00 0.50 H new ATOM 0 HD11 LEU A 8 -11.183 -10.271 16.842 1.00 1.42 H new ATOM 0 HD12 LEU A 8 -11.145 -10.691 15.113 1.00 1.42 H new ATOM 0 HD13 LEU A 8 -11.354 -8.995 15.613 1.00 1.42 H new ATOM 0 HD21 LEU A 8 -13.307 -9.509 17.896 1.00 1.76 H new ATOM 0 HD22 LEU A 8 -13.493 -8.250 16.651 1.00 1.76 H new ATOM 0 HD23 LEU A 8 -14.804 -9.419 16.938 1.00 1.76 H new ATOM 118 N PHE A 9 -15.668 -11.541 13.093 1.00 0.20 N ATOM 119 CA PHE A 9 -16.863 -12.409 13.051 1.00 0.18 C ATOM 120 C PHE A 9 -17.494 -12.260 11.694 1.00 0.18 C ATOM 121 O PHE A 9 -17.016 -11.536 10.843 1.00 0.23 O ATOM 122 CB PHE A 9 -17.899 -11.970 14.081 1.00 0.20 C ATOM 123 CG PHE A 9 -17.959 -13.019 15.194 1.00 0.19 C ATOM 124 CD1 PHE A 9 -18.607 -14.222 14.982 1.00 0.40 C ATOM 125 CD2 PHE A 9 -17.341 -12.792 16.411 1.00 0.16 C ATOM 126 CE1 PHE A 9 -18.635 -15.185 15.970 1.00 0.54 C ATOM 127 CE2 PHE A 9 -17.370 -13.757 17.399 1.00 0.16 C ATOM 128 CZ PHE A 9 -18.016 -14.953 17.178 1.00 0.40 C ATOM 0 H PHE A 9 -15.817 -10.584 12.772 1.00 0.20 H new ATOM 0 HA PHE A 9 -16.558 -13.434 13.260 1.00 0.18 H new ATOM 0 HB2 PHE A 9 -17.633 -10.997 14.493 1.00 0.20 H new ATOM 0 HB3 PHE A 9 -18.876 -11.861 13.611 1.00 0.20 H new ATOM 0 HD1 PHE A 9 -19.095 -14.409 14.037 1.00 0.40 H new ATOM 0 HD2 PHE A 9 -16.833 -11.856 16.589 1.00 0.16 H new ATOM 0 HE1 PHE A 9 -19.143 -16.122 15.796 1.00 0.54 H new ATOM 0 HE2 PHE A 9 -16.885 -13.573 18.346 1.00 0.16 H new ATOM 0 HZ PHE A 9 -18.037 -15.707 17.951 1.00 0.40 H new ATOM 138 N ASP A 10 -18.548 -12.940 11.532 1.00 0.17 N ATOM 139 CA ASP A 10 -19.265 -12.884 10.259 1.00 0.17 C ATOM 140 C ASP A 10 -20.110 -11.619 10.219 1.00 0.17 C ATOM 141 O ASP A 10 -20.746 -11.282 11.196 1.00 0.12 O ATOM 142 CB ASP A 10 -20.171 -14.104 10.200 1.00 0.20 C ATOM 143 CG ASP A 10 -19.739 -15.107 11.272 1.00 0.20 C ATOM 144 OD1 ASP A 10 -18.621 -15.580 11.152 1.00 0.13 O ATOM 145 OD2 ASP A 10 -20.553 -15.345 12.150 1.00 0.31 O ATOM 0 H ASP A 10 -18.962 -13.550 12.237 1.00 0.17 H new ATOM 0 HA ASP A 10 -18.574 -12.874 9.416 1.00 0.17 H new ATOM 0 HB2 ASP A 10 -21.208 -13.809 10.359 1.00 0.20 H new ATOM 0 HB3 ASP A 10 -20.118 -14.564 9.213 1.00 0.20 H new ATOM 150 N PHE A 11 -20.097 -10.940 9.101 1.00 0.23 N ATOM 151 CA PHE A 11 -20.902 -9.689 9.007 1.00 0.24 C ATOM 152 C PHE A 11 -21.896 -9.696 7.857 1.00 0.25 C ATOM 153 O PHE A 11 -21.510 -9.614 6.707 1.00 0.20 O ATOM 154 CB PHE A 11 -19.950 -8.528 8.753 1.00 0.20 C ATOM 155 CG PHE A 11 -20.788 -7.259 8.695 1.00 0.20 C ATOM 156 CD1 PHE A 11 -21.376 -6.776 9.842 1.00 0.20 C ATOM 157 CD2 PHE A 11 -21.002 -6.602 7.497 1.00 0.19 C ATOM 158 CE1 PHE A 11 -22.166 -5.653 9.799 1.00 0.20 C ATOM 159 CE2 PHE A 11 -21.793 -5.476 7.452 1.00 0.19 C ATOM 160 CZ PHE A 11 -22.376 -5.000 8.603 1.00 0.19 C ATOM 0 H PHE A 11 -19.573 -11.193 8.263 1.00 0.23 H new ATOM 0 HA PHE A 11 -21.457 -9.601 9.941 1.00 0.24 H new ATOM 0 HB2 PHE A 11 -19.206 -8.461 9.546 1.00 0.20 H new ATOM 0 HB3 PHE A 11 -19.408 -8.673 7.819 1.00 0.20 H new ATOM 0 HD1 PHE A 11 -21.215 -7.283 10.782 1.00 0.20 H new ATOM 0 HD2 PHE A 11 -20.546 -6.974 6.592 1.00 0.19 H new ATOM 0 HE1 PHE A 11 -22.623 -5.281 10.704 1.00 0.20 H new ATOM 0 HE2 PHE A 11 -21.956 -4.967 6.513 1.00 0.19 H new ATOM 0 HZ PHE A 11 -22.997 -4.117 8.570 1.00 0.19 H new ATOM 170 N ASP A 12 -23.159 -9.781 8.179 1.00 0.30 N ATOM 171 CA ASP A 12 -24.154 -9.781 7.081 1.00 0.33 C ATOM 172 C ASP A 12 -24.564 -8.341 6.802 1.00 0.35 C ATOM 173 O ASP A 12 -24.840 -7.602 7.723 1.00 0.37 O ATOM 174 CB ASP A 12 -25.443 -10.491 7.479 1.00 0.40 C ATOM 175 CG ASP A 12 -25.283 -11.998 7.282 1.00 0.44 C ATOM 176 OD1 ASP A 12 -24.632 -12.588 8.128 1.00 0.84 O ATOM 177 OD2 ASP A 12 -25.822 -12.474 6.297 1.00 1.27 O ATOM 0 H ASP A 12 -23.532 -9.848 9.126 1.00 0.30 H new ATOM 0 HA ASP A 12 -23.693 -10.280 6.229 1.00 0.33 H new ATOM 0 HB2 ASP A 12 -25.683 -10.274 8.520 1.00 0.40 H new ATOM 0 HB3 ASP A 12 -26.274 -10.122 6.877 1.00 0.40 H new ATOM 182 N PRO A 13 -24.609 -7.943 5.563 1.00 0.35 N ATOM 183 CA PRO A 13 -24.996 -6.578 5.234 1.00 0.39 C ATOM 184 C PRO A 13 -26.200 -6.092 6.032 1.00 0.45 C ATOM 185 O PRO A 13 -27.320 -6.507 5.803 1.00 1.38 O ATOM 186 CB PRO A 13 -25.385 -6.689 3.776 1.00 0.39 C ATOM 187 CG PRO A 13 -24.515 -7.814 3.202 1.00 0.34 C ATOM 188 CD PRO A 13 -24.287 -8.772 4.374 1.00 0.33 C ATOM 0 HA PRO A 13 -24.196 -5.870 5.453 1.00 0.39 H new ATOM 0 HB2 PRO A 13 -26.445 -6.920 3.670 1.00 0.39 H new ATOM 0 HB3 PRO A 13 -25.209 -5.750 3.251 1.00 0.39 H new ATOM 0 HG2 PRO A 13 -25.014 -8.316 2.373 1.00 0.34 H new ATOM 0 HG3 PRO A 13 -23.571 -7.427 2.819 1.00 0.34 H new ATOM 0 HD2 PRO A 13 -24.932 -9.648 4.308 1.00 0.33 H new ATOM 0 HD3 PRO A 13 -23.259 -9.134 4.403 1.00 0.33 H new ATOM 196 N GLN A 14 -25.942 -5.236 6.962 1.00 0.67 N ATOM 197 CA GLN A 14 -27.052 -4.701 7.782 1.00 0.71 C ATOM 198 C GLN A 14 -27.614 -3.520 7.017 1.00 0.61 C ATOM 199 O GLN A 14 -28.392 -2.731 7.516 1.00 0.64 O ATOM 200 CB GLN A 14 -26.491 -4.219 9.125 1.00 0.64 C ATOM 201 CG GLN A 14 -26.182 -5.432 10.006 1.00 1.22 C ATOM 202 CD GLN A 14 -25.172 -5.028 11.081 1.00 1.85 C ATOM 203 OE1 GLN A 14 -24.847 -3.869 11.239 1.00 1.79 O ATOM 204 NE2 GLN A 14 -24.647 -5.954 11.840 1.00 2.56 N ATOM 0 H GLN A 14 -25.014 -4.881 7.193 1.00 0.67 H new ATOM 0 HA GLN A 14 -27.818 -5.454 7.970 1.00 0.71 H new ATOM 0 HB2 GLN A 14 -25.587 -3.631 8.965 1.00 0.64 H new ATOM 0 HB3 GLN A 14 -27.211 -3.568 9.621 1.00 0.64 H new ATOM 0 HG2 GLN A 14 -27.096 -5.802 10.470 1.00 1.22 H new ATOM 0 HG3 GLN A 14 -25.781 -6.244 9.400 1.00 1.22 H new ATOM 0 HE21 GLN A 14 -24.915 -6.930 11.713 1.00 2.56 H new ATOM 0 HE22 GLN A 14 -23.969 -5.701 12.559 1.00 2.56 H new ATOM 213 N GLU A 15 -27.175 -3.453 5.791 1.00 0.87 N ATOM 214 CA GLU A 15 -27.601 -2.370 4.878 1.00 1.19 C ATOM 215 C GLU A 15 -27.811 -2.917 3.474 1.00 1.53 C ATOM 216 O GLU A 15 -27.651 -4.099 3.240 1.00 1.90 O ATOM 217 CB GLU A 15 -26.439 -1.382 4.806 1.00 1.24 C ATOM 218 CG GLU A 15 -26.507 -0.428 5.998 1.00 1.19 C ATOM 219 CD GLU A 15 -27.498 0.696 5.686 1.00 1.05 C ATOM 220 OE1 GLU A 15 -28.680 0.424 5.810 1.00 1.46 O ATOM 221 OE2 GLU A 15 -27.015 1.762 5.339 1.00 0.85 O ATOM 0 H GLU A 15 -26.524 -4.122 5.380 1.00 0.87 H new ATOM 0 HA GLU A 15 -28.526 -1.918 5.236 1.00 1.19 H new ATOM 0 HB2 GLU A 15 -25.490 -1.919 4.810 1.00 1.24 H new ATOM 0 HB3 GLU A 15 -26.483 -0.820 3.873 1.00 1.24 H new ATOM 0 HG2 GLU A 15 -26.819 -0.966 6.893 1.00 1.19 H new ATOM 0 HG3 GLU A 15 -25.520 -0.013 6.204 1.00 1.19 H new ATOM 228 N ASP A 16 -28.162 -2.042 2.571 1.00 1.54 N ATOM 229 CA ASP A 16 -28.386 -2.474 1.167 1.00 1.83 C ATOM 230 C ASP A 16 -27.435 -1.723 0.254 1.00 1.49 C ATOM 231 O ASP A 16 -27.700 -1.518 -0.914 1.00 2.96 O ATOM 232 CB ASP A 16 -29.832 -2.158 0.765 1.00 2.55 C ATOM 233 CG ASP A 16 -30.087 -2.671 -0.654 1.00 2.57 C ATOM 234 OD1 ASP A 16 -29.266 -3.453 -1.103 1.00 3.89 O ATOM 235 OD2 ASP A 16 -31.091 -2.253 -1.209 1.00 2.09 O ATOM 0 H ASP A 16 -28.303 -1.047 2.747 1.00 1.54 H new ATOM 0 HA ASP A 16 -28.207 -3.546 1.079 1.00 1.83 H new ATOM 0 HB2 ASP A 16 -30.526 -2.626 1.463 1.00 2.55 H new ATOM 0 HB3 ASP A 16 -30.008 -1.083 0.812 1.00 2.55 H new ATOM 240 N GLY A 17 -26.335 -1.329 0.827 1.00 0.46 N ATOM 241 CA GLY A 17 -25.315 -0.584 0.051 1.00 0.84 C ATOM 242 C GLY A 17 -23.962 -0.708 0.750 1.00 0.65 C ATOM 243 O GLY A 17 -22.977 -0.164 0.290 1.00 0.63 O ATOM 0 H GLY A 17 -26.099 -1.493 1.806 1.00 0.46 H new ATOM 0 HA2 GLY A 17 -25.252 -0.980 -0.963 1.00 0.84 H new ATOM 0 HA3 GLY A 17 -25.599 0.465 -0.033 1.00 0.84 H new ATOM 247 N GLU A 18 -23.946 -1.435 1.846 1.00 0.58 N ATOM 248 CA GLU A 18 -22.664 -1.607 2.589 1.00 0.56 C ATOM 249 C GLU A 18 -22.010 -2.961 2.301 1.00 0.45 C ATOM 250 O GLU A 18 -22.463 -3.720 1.471 1.00 0.55 O ATOM 251 CB GLU A 18 -22.899 -1.352 4.087 1.00 0.98 C ATOM 252 CG GLU A 18 -22.913 -2.654 4.859 1.00 0.54 C ATOM 253 CD GLU A 18 -23.483 -2.419 6.262 1.00 0.59 C ATOM 254 OE1 GLU A 18 -22.976 -1.517 6.907 1.00 0.54 O ATOM 255 OE2 GLU A 18 -24.393 -3.154 6.606 1.00 0.80 O ATOM 0 H GLU A 18 -24.755 -1.908 2.249 1.00 0.58 H new ATOM 0 HA GLU A 18 -21.946 -0.867 2.236 1.00 0.56 H new ATOM 0 HB2 GLU A 18 -22.116 -0.701 4.477 1.00 0.98 H new ATOM 0 HB3 GLU A 18 -23.846 -0.831 4.227 1.00 0.98 H new ATOM 0 HG2 GLU A 18 -23.515 -3.394 4.331 1.00 0.54 H new ATOM 0 HG3 GLU A 18 -21.903 -3.056 4.930 1.00 0.54 H new ATOM 262 N LEU A 19 -20.960 -3.213 3.005 1.00 0.25 N ATOM 263 CA LEU A 19 -20.195 -4.471 2.848 1.00 0.16 C ATOM 264 C LEU A 19 -20.828 -5.715 3.492 1.00 0.18 C ATOM 265 O LEU A 19 -21.743 -5.631 4.284 1.00 0.23 O ATOM 266 CB LEU A 19 -18.847 -4.198 3.514 1.00 0.09 C ATOM 267 CG LEU A 19 -17.757 -4.882 2.717 1.00 0.09 C ATOM 268 CD1 LEU A 19 -17.361 -4.005 1.529 1.00 0.11 C ATOM 269 CD2 LEU A 19 -16.543 -5.104 3.619 1.00 0.07 C ATOM 0 H LEU A 19 -20.584 -2.579 3.709 1.00 0.25 H new ATOM 0 HA LEU A 19 -20.144 -4.713 1.786 1.00 0.16 H new ATOM 0 HB2 LEU A 19 -18.661 -3.125 3.562 1.00 0.09 H new ATOM 0 HB3 LEU A 19 -18.852 -4.567 4.540 1.00 0.09 H new ATOM 0 HG LEU A 19 -18.120 -5.841 2.347 1.00 0.09 H new ATOM 0 HD11 LEU A 19 -16.576 -4.500 0.957 1.00 0.11 H new ATOM 0 HD12 LEU A 19 -18.229 -3.844 0.890 1.00 0.11 H new ATOM 0 HD13 LEU A 19 -16.995 -3.045 1.892 1.00 0.11 H new ATOM 0 HD21 LEU A 19 -15.753 -5.597 3.052 1.00 0.07 H new ATOM 0 HD22 LEU A 19 -16.181 -4.143 3.985 1.00 0.07 H new ATOM 0 HD23 LEU A 19 -16.827 -5.731 4.464 1.00 0.07 H new ATOM 281 N GLY A 20 -20.294 -6.860 3.101 1.00 0.15 N ATOM 282 CA GLY A 20 -20.784 -8.176 3.626 1.00 0.17 C ATOM 283 C GLY A 20 -19.676 -9.237 3.533 1.00 0.14 C ATOM 284 O GLY A 20 -19.203 -9.522 2.454 1.00 0.13 O ATOM 0 H GLY A 20 -19.529 -6.932 2.430 1.00 0.15 H new ATOM 0 HA2 GLY A 20 -21.104 -8.065 4.662 1.00 0.17 H new ATOM 0 HA3 GLY A 20 -21.655 -8.500 3.057 1.00 0.17 H new ATOM 288 N PHE A 21 -19.286 -9.821 4.647 1.00 0.14 N ATOM 289 CA PHE A 21 -18.209 -10.854 4.560 1.00 0.13 C ATOM 290 C PHE A 21 -18.341 -11.941 5.627 1.00 0.13 C ATOM 291 O PHE A 21 -19.288 -11.966 6.389 1.00 0.16 O ATOM 292 CB PHE A 21 -16.855 -10.171 4.729 1.00 0.15 C ATOM 293 CG PHE A 21 -16.920 -9.202 5.898 1.00 0.13 C ATOM 294 CD1 PHE A 21 -17.549 -7.993 5.752 1.00 0.17 C ATOM 295 CD2 PHE A 21 -16.310 -9.510 7.094 1.00 0.09 C ATOM 296 CE1 PHE A 21 -17.573 -7.090 6.790 1.00 0.20 C ATOM 297 CE2 PHE A 21 -16.314 -8.605 8.140 1.00 0.09 C ATOM 298 CZ PHE A 21 -16.954 -7.394 7.987 1.00 0.16 C ATOM 0 H PHE A 21 -19.654 -9.633 5.580 1.00 0.14 H new ATOM 0 HA PHE A 21 -18.300 -11.335 3.586 1.00 0.13 H new ATOM 0 HB2 PHE A 21 -16.079 -10.916 4.903 1.00 0.15 H new ATOM 0 HB3 PHE A 21 -16.587 -9.639 3.816 1.00 0.15 H new ATOM 0 HD1 PHE A 21 -18.029 -7.747 4.816 1.00 0.17 H new ATOM 0 HD2 PHE A 21 -15.824 -10.467 7.216 1.00 0.09 H new ATOM 0 HE1 PHE A 21 -18.076 -6.142 6.669 1.00 0.20 H new ATOM 0 HE2 PHE A 21 -15.819 -8.845 9.069 1.00 0.09 H new ATOM 0 HZ PHE A 21 -16.972 -6.684 8.801 1.00 0.16 H new ATOM 308 N ARG A 22 -17.366 -12.823 5.651 1.00 0.14 N ATOM 309 CA ARG A 22 -17.383 -13.931 6.647 1.00 0.13 C ATOM 310 C ARG A 22 -16.012 -14.128 7.293 1.00 0.15 C ATOM 311 O ARG A 22 -15.022 -14.187 6.598 1.00 0.19 O ATOM 312 CB ARG A 22 -17.742 -15.248 5.926 1.00 0.09 C ATOM 313 CG ARG A 22 -18.965 -15.069 5.009 1.00 1.07 C ATOM 314 CD ARG A 22 -20.242 -14.984 5.853 1.00 1.88 C ATOM 315 NE ARG A 22 -21.403 -14.732 4.953 1.00 3.75 N ATOM 316 CZ ARG A 22 -22.106 -13.643 5.114 1.00 4.60 C ATOM 317 NH1 ARG A 22 -22.482 -13.308 6.318 1.00 5.95 N ATOM 318 NH2 ARG A 22 -22.405 -12.921 4.067 1.00 5.04 N ATOM 0 H ARG A 22 -16.563 -12.818 5.022 1.00 0.14 H new ATOM 0 HA ARG A 22 -18.112 -13.674 7.416 1.00 0.13 H new ATOM 0 HB2 ARG A 22 -16.890 -15.586 5.337 1.00 0.09 H new ATOM 0 HB3 ARG A 22 -17.948 -16.024 6.663 1.00 0.09 H new ATOM 0 HG2 ARG A 22 -18.853 -14.164 4.411 1.00 1.07 H new ATOM 0 HG3 ARG A 22 -19.034 -15.905 4.313 1.00 1.07 H new ATOM 0 HD2 ARG A 22 -20.389 -15.911 6.407 1.00 1.88 H new ATOM 0 HD3 ARG A 22 -20.155 -14.184 6.588 1.00 1.88 H new ATOM 0 HE ARG A 22 -21.645 -15.401 4.222 1.00 3.75 H new ATOM 0 HH11 ARG A 22 -22.226 -13.893 7.113 1.00 5.95 H new ATOM 0 HH12 ARG A 22 -23.032 -12.461 6.464 1.00 5.95 H new ATOM 0 HH21 ARG A 22 -22.090 -13.211 3.141 1.00 5.04 H new ATOM 0 HH22 ARG A 22 -22.953 -12.068 4.176 1.00 5.04 H new ATOM 332 N ARG A 23 -15.998 -14.194 8.611 1.00 0.14 N ATOM 333 CA ARG A 23 -14.731 -14.389 9.370 1.00 0.16 C ATOM 334 C ARG A 23 -13.565 -14.877 8.531 1.00 0.17 C ATOM 335 O ARG A 23 -13.699 -15.737 7.682 1.00 0.24 O ATOM 336 CB ARG A 23 -14.990 -15.472 10.412 1.00 0.15 C ATOM 337 CG ARG A 23 -14.532 -14.955 11.755 1.00 0.16 C ATOM 338 CD ARG A 23 -14.796 -16.017 12.824 1.00 0.24 C ATOM 339 NE ARG A 23 -13.521 -16.307 13.539 1.00 0.65 N ATOM 340 CZ ARG A 23 -13.292 -17.512 13.986 1.00 0.52 C ATOM 341 NH1 ARG A 23 -14.177 -18.080 14.757 1.00 1.14 N ATOM 342 NH2 ARG A 23 -12.179 -18.106 13.651 1.00 1.45 N ATOM 0 H ARG A 23 -16.831 -14.118 9.194 1.00 0.14 H new ATOM 0 HA ARG A 23 -14.459 -13.416 9.780 1.00 0.16 H new ATOM 0 HB2 ARG A 23 -16.050 -15.724 10.443 1.00 0.15 H new ATOM 0 HB3 ARG A 23 -14.453 -16.385 10.153 1.00 0.15 H new ATOM 0 HG2 ARG A 23 -13.470 -14.713 11.721 1.00 0.16 H new ATOM 0 HG3 ARG A 23 -15.061 -14.034 12.002 1.00 0.16 H new ATOM 0 HD2 ARG A 23 -15.551 -15.665 13.527 1.00 0.24 H new ATOM 0 HD3 ARG A 23 -15.186 -16.925 12.365 1.00 0.24 H new ATOM 0 HE ARG A 23 -12.831 -15.568 13.678 1.00 0.65 H new ATOM 0 HH11 ARG A 23 -15.033 -17.583 15.003 1.00 1.14 H new ATOM 0 HH12 ARG A 23 -14.013 -19.021 15.114 1.00 1.14 H new ATOM 0 HH21 ARG A 23 -11.507 -17.629 13.050 1.00 1.45 H new ATOM 0 HH22 ARG A 23 -11.981 -19.048 13.990 1.00 1.45 H new ATOM 356 N GLY A 24 -12.438 -14.332 8.831 1.00 0.13 N ATOM 357 CA GLY A 24 -11.206 -14.718 8.090 1.00 0.17 C ATOM 358 C GLY A 24 -11.135 -13.946 6.781 1.00 0.13 C ATOM 359 O GLY A 24 -10.102 -13.898 6.142 1.00 0.09 O ATOM 0 H GLY A 24 -12.305 -13.631 9.560 1.00 0.13 H new ATOM 0 HA2 GLY A 24 -10.324 -14.508 8.696 1.00 0.17 H new ATOM 0 HA3 GLY A 24 -11.209 -15.790 7.892 1.00 0.17 H new ATOM 363 N ASP A 25 -12.239 -13.362 6.400 1.00 0.13 N ATOM 364 CA ASP A 25 -12.235 -12.595 5.139 1.00 0.12 C ATOM 365 C ASP A 25 -11.457 -11.319 5.383 1.00 0.12 C ATOM 366 O ASP A 25 -11.834 -10.514 6.211 1.00 0.08 O ATOM 367 CB ASP A 25 -13.675 -12.247 4.759 1.00 0.17 C ATOM 368 CG ASP A 25 -14.233 -13.337 3.840 1.00 0.16 C ATOM 369 OD1 ASP A 25 -14.382 -14.440 4.340 1.00 0.06 O ATOM 370 OD2 ASP A 25 -14.472 -13.006 2.691 1.00 0.41 O ATOM 0 H ASP A 25 -13.126 -13.386 6.903 1.00 0.13 H new ATOM 0 HA ASP A 25 -11.783 -13.173 4.333 1.00 0.12 H new ATOM 0 HB2 ASP A 25 -14.289 -12.161 5.655 1.00 0.17 H new ATOM 0 HB3 ASP A 25 -13.707 -11.280 4.257 1.00 0.17 H new ATOM 375 N PHE A 26 -10.395 -11.144 4.667 1.00 0.18 N ATOM 376 CA PHE A 26 -9.605 -9.932 4.869 1.00 0.20 C ATOM 377 C PHE A 26 -10.262 -8.685 4.300 1.00 0.19 C ATOM 378 O PHE A 26 -10.312 -8.494 3.101 1.00 0.23 O ATOM 379 CB PHE A 26 -8.279 -10.134 4.150 1.00 0.26 C ATOM 380 CG PHE A 26 -7.651 -11.461 4.576 1.00 0.35 C ATOM 381 CD1 PHE A 26 -8.007 -12.640 3.950 1.00 0.35 C ATOM 382 CD2 PHE A 26 -6.708 -11.494 5.588 1.00 0.58 C ATOM 383 CE1 PHE A 26 -7.428 -13.835 4.327 1.00 0.57 C ATOM 384 CE2 PHE A 26 -6.130 -12.688 5.965 1.00 0.74 C ATOM 385 CZ PHE A 26 -6.490 -13.859 5.335 1.00 0.74 C ATOM 0 H PHE A 26 -10.047 -11.788 3.956 1.00 0.18 H new ATOM 0 HA PHE A 26 -9.494 -9.777 5.942 1.00 0.20 H new ATOM 0 HB2 PHE A 26 -8.436 -10.126 3.071 1.00 0.26 H new ATOM 0 HB3 PHE A 26 -7.602 -9.311 4.380 1.00 0.26 H new ATOM 0 HD1 PHE A 26 -8.743 -12.627 3.160 1.00 0.35 H new ATOM 0 HD2 PHE A 26 -6.423 -10.579 6.086 1.00 0.58 H new ATOM 0 HE1 PHE A 26 -7.711 -14.752 3.831 1.00 0.57 H new ATOM 0 HE2 PHE A 26 -5.394 -12.705 6.755 1.00 0.74 H new ATOM 0 HZ PHE A 26 -6.038 -14.794 5.631 1.00 0.74 H new ATOM 395 N ILE A 27 -10.756 -7.854 5.175 1.00 0.16 N ATOM 396 CA ILE A 27 -11.398 -6.623 4.697 1.00 0.18 C ATOM 397 C ILE A 27 -10.284 -5.704 4.214 1.00 0.20 C ATOM 398 O ILE A 27 -9.218 -5.698 4.798 1.00 0.26 O ATOM 399 CB ILE A 27 -12.154 -5.943 5.888 1.00 0.16 C ATOM 400 CG1 ILE A 27 -13.601 -5.728 5.540 1.00 0.17 C ATOM 401 CG2 ILE A 27 -11.539 -4.557 6.185 1.00 0.18 C ATOM 402 CD1 ILE A 27 -14.336 -7.028 5.852 1.00 0.19 C ATOM 0 H ILE A 27 -10.738 -7.981 6.187 1.00 0.16 H new ATOM 0 HA ILE A 27 -12.110 -6.830 3.898 1.00 0.18 H new ATOM 0 HB ILE A 27 -12.066 -6.599 6.754 1.00 0.16 H new ATOM 0 HG12 ILE A 27 -14.017 -4.902 6.117 1.00 0.17 H new ATOM 0 HG13 ILE A 27 -13.709 -5.468 4.487 1.00 0.17 H new ATOM 0 HG21 ILE A 27 -12.072 -4.093 7.015 1.00 0.18 H new ATOM 0 HG22 ILE A 27 -10.488 -4.674 6.449 1.00 0.18 H new ATOM 0 HG23 ILE A 27 -11.623 -3.925 5.301 1.00 0.18 H new ATOM 0 HD11 ILE A 27 -15.393 -6.915 5.613 1.00 0.19 H new ATOM 0 HD12 ILE A 27 -13.914 -7.837 5.256 1.00 0.19 H new ATOM 0 HD13 ILE A 27 -14.227 -7.263 6.911 1.00 0.19 H new ATOM 414 N HIS A 28 -10.509 -4.975 3.162 1.00 0.13 N ATOM 415 CA HIS A 28 -9.431 -4.076 2.691 1.00 0.14 C ATOM 416 C HIS A 28 -9.726 -2.680 3.154 1.00 0.13 C ATOM 417 O HIS A 28 -10.405 -1.946 2.485 1.00 0.18 O ATOM 418 CB HIS A 28 -9.370 -4.027 1.177 1.00 0.21 C ATOM 419 CG HIS A 28 -8.243 -3.054 0.837 1.00 0.46 C ATOM 420 ND1 HIS A 28 -8.331 -2.057 0.057 1.00 0.76 N ATOM 421 CD2 HIS A 28 -6.970 -2.987 1.361 1.00 0.49 C ATOM 422 CE1 HIS A 28 -7.236 -1.388 0.062 1.00 0.97 C ATOM 423 NE2 HIS A 28 -6.328 -1.922 0.864 1.00 0.81 N ATOM 0 H HIS A 28 -11.373 -4.962 2.619 1.00 0.13 H new ATOM 0 HA HIS A 28 -8.489 -4.455 3.087 1.00 0.14 H new ATOM 0 HB2 HIS A 28 -9.172 -5.015 0.762 1.00 0.21 H new ATOM 0 HB3 HIS A 28 -10.318 -3.689 0.758 1.00 0.21 H new ATOM 0 HD2 HIS A 28 -6.552 -3.689 2.067 1.00 0.49 H new ATOM 0 HE1 HIS A 28 -7.074 -0.493 -0.520 1.00 0.97 H new ATOM 0 HE2 HIS A 28 -5.378 -1.603 1.055 1.00 0.81 H new ATOM 431 N VAL A 29 -9.185 -2.324 4.261 1.00 0.20 N ATOM 432 CA VAL A 29 -9.454 -0.951 4.763 1.00 0.21 C ATOM 433 C VAL A 29 -8.909 0.085 3.796 1.00 0.12 C ATOM 434 O VAL A 29 -7.744 0.427 3.821 1.00 0.14 O ATOM 435 CB VAL A 29 -8.807 -0.757 6.141 1.00 0.37 C ATOM 436 CG1 VAL A 29 -9.557 0.346 6.890 1.00 0.60 C ATOM 437 CG2 VAL A 29 -8.926 -2.057 6.927 1.00 0.19 C ATOM 0 H VAL A 29 -8.577 -2.903 4.841 1.00 0.20 H new ATOM 0 HA VAL A 29 -10.533 -0.822 4.849 1.00 0.21 H new ATOM 0 HB VAL A 29 -7.758 -0.483 6.027 1.00 0.37 H new ATOM 0 HG11 VAL A 29 -9.105 0.492 7.871 1.00 0.60 H new ATOM 0 HG12 VAL A 29 -9.500 1.275 6.322 1.00 0.60 H new ATOM 0 HG13 VAL A 29 -10.601 0.058 7.011 1.00 0.60 H new ATOM 0 HG21 VAL A 29 -8.469 -1.932 7.909 1.00 0.19 H new ATOM 0 HG22 VAL A 29 -9.978 -2.315 7.046 1.00 0.19 H new ATOM 0 HG23 VAL A 29 -8.415 -2.856 6.389 1.00 0.19 H new ATOM 447 N MET A 30 -9.786 0.560 2.965 1.00 0.18 N ATOM 448 CA MET A 30 -9.388 1.580 1.963 1.00 0.19 C ATOM 449 C MET A 30 -9.384 2.971 2.583 1.00 0.16 C ATOM 450 O MET A 30 -8.676 3.849 2.129 1.00 0.18 O ATOM 451 CB MET A 30 -10.412 1.548 0.819 1.00 0.23 C ATOM 452 CG MET A 30 -9.932 2.444 -0.331 1.00 0.52 C ATOM 453 SD MET A 30 -11.045 2.648 -1.747 1.00 0.53 S ATOM 454 CE MET A 30 -10.794 1.011 -2.479 1.00 0.57 C ATOM 0 H MET A 30 -10.768 0.284 2.936 1.00 0.18 H new ATOM 0 HA MET A 30 -8.384 1.359 1.600 1.00 0.19 H new ATOM 0 HB2 MET A 30 -10.544 0.526 0.465 1.00 0.23 H new ATOM 0 HB3 MET A 30 -11.383 1.889 1.178 1.00 0.23 H new ATOM 0 HG2 MET A 30 -9.721 3.432 0.077 1.00 0.52 H new ATOM 0 HG3 MET A 30 -8.988 2.043 -0.699 1.00 0.52 H new ATOM 0 HE1 MET A 30 -11.385 0.926 -3.391 1.00 0.57 H new ATOM 0 HE2 MET A 30 -9.739 0.876 -2.716 1.00 0.57 H new ATOM 0 HE3 MET A 30 -11.108 0.244 -1.771 1.00 0.57 H new ATOM 464 N ASP A 31 -10.170 3.162 3.610 1.00 0.14 N ATOM 465 CA ASP A 31 -10.189 4.504 4.235 1.00 0.18 C ATOM 466 C ASP A 31 -10.666 4.447 5.683 1.00 0.24 C ATOM 467 O ASP A 31 -11.832 4.633 5.970 1.00 0.47 O ATOM 468 CB ASP A 31 -11.137 5.398 3.422 1.00 0.43 C ATOM 469 CG ASP A 31 -10.312 6.364 2.568 1.00 1.23 C ATOM 470 OD1 ASP A 31 -9.795 5.896 1.567 1.00 2.06 O ATOM 471 OD2 ASP A 31 -10.245 7.515 2.968 1.00 1.81 O ATOM 0 H ASP A 31 -10.783 2.463 4.030 1.00 0.14 H new ATOM 0 HA ASP A 31 -9.175 4.904 4.238 1.00 0.18 H new ATOM 0 HB2 ASP A 31 -11.776 4.786 2.785 1.00 0.43 H new ATOM 0 HB3 ASP A 31 -11.793 5.955 4.091 1.00 0.43 H new ATOM 476 N ASN A 32 -9.755 4.175 6.576 1.00 0.41 N ATOM 477 CA ASN A 32 -10.145 4.108 8.003 1.00 0.71 C ATOM 478 C ASN A 32 -10.687 5.467 8.434 1.00 0.93 C ATOM 479 O ASN A 32 -9.934 6.318 8.864 1.00 1.16 O ATOM 480 CB ASN A 32 -8.895 3.784 8.830 1.00 0.96 C ATOM 481 CG ASN A 32 -7.649 4.143 8.015 1.00 1.39 C ATOM 482 OD1 ASN A 32 -7.258 3.337 7.066 1.00 1.69 O flip ATOM 483 ND2 ASN A 32 -7.022 5.161 8.236 1.00 2.88 N flip ATOM 0 H ASN A 32 -8.770 3.999 6.379 1.00 0.41 H new ATOM 0 HA ASN A 32 -10.908 3.344 8.152 1.00 0.71 H new ATOM 0 HB2 ASN A 32 -8.907 4.344 9.765 1.00 0.96 H new ATOM 0 HB3 ASN A 32 -8.881 2.726 9.092 1.00 0.96 H new ATOM 0 HD21 ASN A 32 -7.323 5.795 8.976 1.00 2.88 H new ATOM 0 HD22 ASN A 32 -6.195 5.381 7.681 1.00 2.88 H new ATOM 490 N SER A 33 -11.981 5.643 8.322 1.00 0.94 N ATOM 491 CA SER A 33 -12.574 6.946 8.718 1.00 1.18 C ATOM 492 C SER A 33 -13.265 6.868 10.069 1.00 0.96 C ATOM 493 O SER A 33 -12.676 7.174 11.088 1.00 1.25 O ATOM 494 CB SER A 33 -13.606 7.345 7.657 1.00 1.43 C ATOM 495 OG SER A 33 -12.836 7.532 6.479 1.00 1.69 O ATOM 0 H SER A 33 -12.641 4.946 7.977 1.00 0.94 H new ATOM 0 HA SER A 33 -11.773 7.681 8.795 1.00 1.18 H new ATOM 0 HB2 SER A 33 -14.359 6.569 7.522 1.00 1.43 H new ATOM 0 HB3 SER A 33 -14.134 8.257 7.937 1.00 1.43 H new ATOM 0 HG SER A 33 -12.569 6.660 6.121 1.00 1.69 H new ATOM 501 N ASP A 34 -14.504 6.463 10.061 1.00 0.73 N ATOM 502 CA ASP A 34 -15.225 6.370 11.351 1.00 0.51 C ATOM 503 C ASP A 34 -14.462 5.476 12.337 1.00 0.43 C ATOM 504 O ASP A 34 -13.701 4.619 11.938 1.00 0.41 O ATOM 505 CB ASP A 34 -16.609 5.751 11.121 1.00 0.57 C ATOM 506 CG ASP A 34 -17.586 6.843 10.679 1.00 0.78 C ATOM 507 OD1 ASP A 34 -17.093 7.832 10.164 1.00 0.92 O ATOM 508 OD2 ASP A 34 -18.769 6.626 10.881 1.00 1.13 O ATOM 0 H ASP A 34 -15.037 6.198 9.232 1.00 0.73 H new ATOM 0 HA ASP A 34 -15.314 7.375 11.763 1.00 0.51 H new ATOM 0 HB2 ASP A 34 -16.549 4.972 10.361 1.00 0.57 H new ATOM 0 HB3 ASP A 34 -16.965 5.278 12.036 1.00 0.57 H new ATOM 513 N PRO A 35 -14.672 5.703 13.613 1.00 0.38 N ATOM 514 CA PRO A 35 -14.003 4.913 14.666 1.00 0.35 C ATOM 515 C PRO A 35 -14.426 3.441 14.658 1.00 0.30 C ATOM 516 O PRO A 35 -13.664 2.571 14.286 1.00 0.34 O ATOM 517 CB PRO A 35 -14.496 5.553 15.975 1.00 0.36 C ATOM 518 CG PRO A 35 -15.692 6.460 15.601 1.00 0.37 C ATOM 519 CD PRO A 35 -15.548 6.781 14.126 1.00 0.39 C ATOM 0 HA PRO A 35 -12.922 4.923 14.529 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -14.799 4.788 16.690 1.00 0.36 H new ATOM 0 HB3 PRO A 35 -13.702 6.133 16.446 1.00 0.36 H new ATOM 0 HG2 PRO A 35 -16.638 5.955 15.797 1.00 0.37 H new ATOM 0 HG3 PRO A 35 -15.688 7.372 16.198 1.00 0.37 H new ATOM 0 HD2 PRO A 35 -16.514 6.785 13.621 1.00 0.39 H new ATOM 0 HD3 PRO A 35 -15.104 7.764 13.972 1.00 0.39 H new ATOM 527 N ASN A 36 -15.646 3.196 15.066 1.00 0.30 N ATOM 528 CA ASN A 36 -16.145 1.798 15.097 1.00 0.24 C ATOM 529 C ASN A 36 -16.638 1.352 13.722 1.00 0.17 C ATOM 530 O ASN A 36 -17.212 0.291 13.580 1.00 0.06 O ATOM 531 CB ASN A 36 -17.296 1.721 16.110 1.00 0.29 C ATOM 532 CG ASN A 36 -17.332 0.322 16.733 1.00 1.02 C ATOM 533 OD1 ASN A 36 -17.105 0.153 17.915 1.00 2.74 O ATOM 534 ND2 ASN A 36 -17.614 -0.706 15.979 1.00 0.37 N ATOM 0 H ASN A 36 -16.311 3.904 15.377 1.00 0.30 H new ATOM 0 HA ASN A 36 -15.330 1.135 15.386 1.00 0.24 H new ATOM 0 HB2 ASN A 36 -17.162 2.474 16.887 1.00 0.29 H new ATOM 0 HB3 ASN A 36 -18.244 1.936 15.617 1.00 0.29 H new ATOM 0 HD21 ASN A 36 -17.643 -1.642 16.383 1.00 0.37 H new ATOM 0 HD22 ASN A 36 -17.806 -0.573 14.986 1.00 0.37 H new ATOM 541 N TRP A 37 -16.402 2.177 12.737 1.00 0.24 N ATOM 542 CA TRP A 37 -16.834 1.838 11.365 1.00 0.20 C ATOM 543 C TRP A 37 -15.745 2.260 10.396 1.00 0.25 C ATOM 544 O TRP A 37 -15.070 3.238 10.621 1.00 0.43 O ATOM 545 CB TRP A 37 -18.129 2.576 11.017 1.00 0.31 C ATOM 546 CG TRP A 37 -19.305 1.742 11.510 1.00 0.31 C ATOM 547 CD1 TRP A 37 -19.731 1.754 12.767 1.00 0.37 C ATOM 548 CD2 TRP A 37 -20.046 0.913 10.777 1.00 0.32 C ATOM 549 NE1 TRP A 37 -20.763 0.910 12.764 1.00 0.43 N ATOM 550 CE2 TRP A 37 -21.026 0.338 11.568 1.00 0.39 C ATOM 551 CE3 TRP A 37 -19.939 0.554 9.451 1.00 0.32 C ATOM 552 CZ2 TRP A 37 -21.898 -0.585 11.035 1.00 0.40 C ATOM 553 CZ3 TRP A 37 -20.811 -0.382 8.920 1.00 0.32 C ATOM 554 CH2 TRP A 37 -21.790 -0.946 9.712 1.00 0.34 C ATOM 0 H TRP A 37 -15.926 3.074 12.832 1.00 0.24 H new ATOM 0 HA TRP A 37 -17.012 0.765 11.297 1.00 0.20 H new ATOM 0 HB2 TRP A 37 -18.141 3.561 11.483 1.00 0.31 H new ATOM 0 HB3 TRP A 37 -18.199 2.732 9.940 1.00 0.31 H new ATOM 0 HD1 TRP A 37 -19.334 2.317 13.599 1.00 0.37 H new ATOM 0 HE1 TRP A 37 -21.312 0.711 13.600 1.00 0.43 H new ATOM 0 HE3 TRP A 37 -19.178 1.001 8.828 1.00 0.32 H new ATOM 0 HZ2 TRP A 37 -22.665 -1.025 11.655 1.00 0.40 H new ATOM 0 HZ3 TRP A 37 -20.724 -0.671 7.883 1.00 0.32 H new ATOM 0 HH2 TRP A 37 -22.472 -1.671 9.293 1.00 0.34 H new ATOM 565 N TRP A 38 -15.584 1.521 9.351 1.00 0.14 N ATOM 566 CA TRP A 38 -14.530 1.877 8.359 1.00 0.21 C ATOM 567 C TRP A 38 -14.964 1.533 6.935 1.00 0.26 C ATOM 568 O TRP A 38 -15.934 0.831 6.738 1.00 0.45 O ATOM 569 CB TRP A 38 -13.291 1.047 8.678 1.00 0.22 C ATOM 570 CG TRP A 38 -12.402 1.689 9.772 1.00 0.19 C ATOM 571 CD1 TRP A 38 -12.410 2.978 10.210 1.00 0.24 C ATOM 572 CD2 TRP A 38 -11.433 1.030 10.380 1.00 0.21 C ATOM 573 NE1 TRP A 38 -11.403 3.007 11.092 1.00 0.31 N ATOM 574 CE2 TRP A 38 -10.737 1.837 11.250 1.00 0.29 C ATOM 575 CE3 TRP A 38 -11.087 -0.285 10.207 1.00 0.22 C ATOM 576 CZ2 TRP A 38 -9.666 1.314 11.955 1.00 0.35 C ATOM 577 CZ3 TRP A 38 -10.021 -0.812 10.907 1.00 0.25 C ATOM 578 CH2 TRP A 38 -9.310 -0.013 11.780 1.00 0.31 C ATOM 0 H TRP A 38 -16.129 0.687 9.132 1.00 0.14 H new ATOM 0 HA TRP A 38 -14.340 2.949 8.420 1.00 0.21 H new ATOM 0 HB2 TRP A 38 -13.599 0.054 9.004 1.00 0.22 H new ATOM 0 HB3 TRP A 38 -12.703 0.916 7.769 1.00 0.22 H new ATOM 0 HD1 TRP A 38 -13.069 3.782 9.917 1.00 0.24 H new ATOM 0 HE1 TRP A 38 -11.154 3.850 11.609 1.00 0.31 H new ATOM 0 HE3 TRP A 38 -11.647 -0.907 9.525 1.00 0.22 H new ATOM 0 HZ2 TRP A 38 -9.110 1.939 12.639 1.00 0.35 H new ATOM 0 HZ3 TRP A 38 -9.744 -1.847 10.772 1.00 0.25 H new ATOM 0 HH2 TRP A 38 -8.475 -0.424 12.328 1.00 0.31 H new ATOM 589 N LYS A 39 -14.228 2.036 5.967 1.00 0.11 N ATOM 590 CA LYS A 39 -14.572 1.751 4.548 1.00 0.10 C ATOM 591 C LYS A 39 -13.535 0.799 3.991 1.00 0.09 C ATOM 592 O LYS A 39 -12.351 1.016 4.160 1.00 0.16 O ATOM 593 CB LYS A 39 -14.529 3.062 3.751 1.00 0.13 C ATOM 594 CG LYS A 39 -14.479 2.738 2.254 1.00 0.12 C ATOM 595 CD LYS A 39 -15.111 3.886 1.462 1.00 0.15 C ATOM 596 CE LYS A 39 -16.594 3.585 1.239 1.00 0.15 C ATOM 597 NZ LYS A 39 -17.285 4.780 0.678 1.00 0.24 N ATOM 0 H LYS A 39 -13.409 2.628 6.105 1.00 0.11 H new ATOM 0 HA LYS A 39 -15.567 1.312 4.478 1.00 0.10 H new ATOM 0 HB2 LYS A 39 -15.407 3.667 3.975 1.00 0.13 H new ATOM 0 HB3 LYS A 39 -13.656 3.648 4.038 1.00 0.13 H new ATOM 0 HG2 LYS A 39 -13.447 2.589 1.938 1.00 0.12 H new ATOM 0 HG3 LYS A 39 -15.011 1.808 2.054 1.00 0.12 H new ATOM 0 HD2 LYS A 39 -14.995 4.825 2.004 1.00 0.15 H new ATOM 0 HD3 LYS A 39 -14.604 4.006 0.505 1.00 0.15 H new ATOM 0 HE2 LYS A 39 -16.702 2.741 0.558 1.00 0.15 H new ATOM 0 HE3 LYS A 39 -17.059 3.296 2.181 1.00 0.15 H new ATOM 0 HZ1 LYS A 39 -18.291 4.562 0.531 1.00 0.24 H new ATOM 0 HZ2 LYS A 39 -17.196 5.576 1.342 1.00 0.24 H new ATOM 0 HZ3 LYS A 39 -16.850 5.037 -0.231 1.00 0.24 H new ATOM 611 N GLY A 40 -13.965 -0.239 3.337 1.00 0.08 N ATOM 612 CA GLY A 40 -12.975 -1.166 2.802 1.00 0.07 C ATOM 613 C GLY A 40 -13.598 -1.965 1.693 1.00 0.10 C ATOM 614 O GLY A 40 -14.443 -1.477 0.970 1.00 0.16 O ATOM 0 H GLY A 40 -14.942 -0.471 3.159 1.00 0.08 H new ATOM 0 HA2 GLY A 40 -12.109 -0.618 2.430 1.00 0.07 H new ATOM 0 HA3 GLY A 40 -12.618 -1.830 3.589 1.00 0.07 H new ATOM 618 N ALA A 41 -13.184 -3.175 1.569 1.00 0.10 N ATOM 619 CA ALA A 41 -13.774 -3.977 0.495 1.00 0.17 C ATOM 620 C ALA A 41 -13.536 -5.471 0.653 1.00 0.28 C ATOM 621 O ALA A 41 -12.632 -5.898 1.342 1.00 0.42 O ATOM 622 CB ALA A 41 -13.149 -3.480 -0.799 1.00 0.14 C ATOM 0 H ALA A 41 -12.481 -3.635 2.148 1.00 0.10 H new ATOM 0 HA ALA A 41 -14.857 -3.857 0.510 1.00 0.17 H new ATOM 0 HB1 ALA A 41 -13.553 -4.045 -1.639 1.00 0.14 H new ATOM 0 HB2 ALA A 41 -13.376 -2.422 -0.930 1.00 0.14 H new ATOM 0 HB3 ALA A 41 -12.068 -3.616 -0.757 1.00 0.14 H new ATOM 628 N CYS A 42 -14.371 -6.230 -0.007 1.00 0.49 N ATOM 629 CA CYS A 42 -14.250 -7.707 0.062 1.00 0.69 C ATOM 630 C CYS A 42 -15.260 -8.384 -0.871 1.00 1.19 C ATOM 631 O CYS A 42 -16.034 -7.725 -1.534 1.00 2.91 O ATOM 632 CB CYS A 42 -14.544 -8.128 1.499 1.00 0.31 C ATOM 633 SG CYS A 42 -14.833 -9.887 1.821 1.00 0.60 S ATOM 0 H CYS A 42 -15.132 -5.885 -0.591 1.00 0.49 H new ATOM 0 HA CYS A 42 -13.248 -8.006 -0.246 1.00 0.69 H new ATOM 0 HB2 CYS A 42 -13.708 -7.807 2.120 1.00 0.31 H new ATOM 0 HB3 CYS A 42 -15.422 -7.577 1.837 1.00 0.31 H new ATOM 0 HG CYS A 42 -13.703 -10.469 2.094 1.00 0.60 H new ATOM 639 N HIS A 43 -15.239 -9.689 -0.880 1.00 0.68 N ATOM 640 CA HIS A 43 -16.178 -10.450 -1.753 1.00 0.73 C ATOM 641 C HIS A 43 -16.315 -9.791 -3.120 1.00 0.87 C ATOM 642 O HIS A 43 -17.326 -9.924 -3.782 1.00 1.35 O ATOM 643 CB HIS A 43 -17.563 -10.543 -1.098 1.00 0.63 C ATOM 644 CG HIS A 43 -18.039 -9.168 -0.645 1.00 0.24 C ATOM 645 ND1 HIS A 43 -18.813 -8.405 -1.299 1.00 0.20 N ATOM 646 CD2 HIS A 43 -17.806 -8.510 0.537 1.00 0.19 C ATOM 647 CE1 HIS A 43 -19.075 -7.350 -0.625 1.00 0.15 C ATOM 648 NE2 HIS A 43 -18.468 -7.344 0.549 1.00 0.32 N ATOM 0 H HIS A 43 -14.610 -10.263 -0.318 1.00 0.68 H new ATOM 0 HA HIS A 43 -15.767 -11.451 -1.884 1.00 0.73 H new ATOM 0 HB2 HIS A 43 -18.277 -10.966 -1.805 1.00 0.63 H new ATOM 0 HB3 HIS A 43 -17.522 -11.219 -0.244 1.00 0.63 H new ATOM 0 HD1 HIS A 43 -19.175 -8.605 -2.231 1.00 0.20 H new ATOM 0 HD2 HIS A 43 -17.182 -8.877 1.338 1.00 0.19 H new ATOM 0 HE1 HIS A 43 -19.718 -6.556 -0.975 1.00 0.15 H new ATOM 656 N GLY A 44 -15.294 -9.079 -3.510 1.00 0.65 N ATOM 657 CA GLY A 44 -15.331 -8.398 -4.834 1.00 0.71 C ATOM 658 C GLY A 44 -16.104 -7.072 -4.799 1.00 0.52 C ATOM 659 O GLY A 44 -16.707 -6.698 -5.784 1.00 0.77 O ATOM 0 H GLY A 44 -14.439 -8.940 -2.971 1.00 0.65 H new ATOM 0 HA2 GLY A 44 -14.311 -8.210 -5.170 1.00 0.71 H new ATOM 0 HA3 GLY A 44 -15.790 -9.062 -5.566 1.00 0.71 H new ATOM 663 N GLN A 45 -16.094 -6.382 -3.686 1.00 0.14 N ATOM 664 CA GLN A 45 -16.847 -5.094 -3.658 1.00 0.12 C ATOM 665 C GLN A 45 -16.463 -4.230 -2.467 1.00 0.15 C ATOM 666 O GLN A 45 -16.024 -4.723 -1.454 1.00 0.20 O ATOM 667 CB GLN A 45 -18.339 -5.397 -3.553 1.00 0.26 C ATOM 668 CG GLN A 45 -19.119 -4.377 -4.383 1.00 0.70 C ATOM 669 CD GLN A 45 -20.583 -4.386 -3.942 1.00 1.35 C ATOM 670 OE1 GLN A 45 -20.944 -5.011 -2.965 1.00 1.73 O ATOM 671 NE2 GLN A 45 -21.456 -3.698 -4.626 1.00 1.54 N ATOM 0 H GLN A 45 -15.615 -6.643 -2.824 1.00 0.14 H new ATOM 0 HA GLN A 45 -16.605 -4.552 -4.572 1.00 0.12 H new ATOM 0 HB2 GLN A 45 -18.543 -6.406 -3.910 1.00 0.26 H new ATOM 0 HB3 GLN A 45 -18.658 -5.356 -2.512 1.00 0.26 H new ATOM 0 HG2 GLN A 45 -18.693 -3.382 -4.253 1.00 0.70 H new ATOM 0 HG3 GLN A 45 -19.044 -4.619 -5.443 1.00 0.70 H new ATOM 0 HE21 GLN A 45 -21.159 -3.171 -5.447 1.00 1.54 H new ATOM 0 HE22 GLN A 45 -22.435 -3.687 -4.339 1.00 1.54 H new ATOM 680 N THR A 46 -16.656 -2.949 -2.607 1.00 0.13 N ATOM 681 CA THR A 46 -16.314 -2.041 -1.499 1.00 0.18 C ATOM 682 C THR A 46 -17.535 -1.751 -0.642 1.00 0.16 C ATOM 683 O THR A 46 -18.613 -2.254 -0.897 1.00 0.18 O ATOM 684 CB THR A 46 -15.846 -0.727 -2.085 1.00 0.20 C ATOM 685 OG1 THR A 46 -16.679 -0.482 -3.203 1.00 0.19 O ATOM 686 CG2 THR A 46 -14.438 -0.852 -2.658 1.00 0.18 C ATOM 0 H THR A 46 -17.035 -2.500 -3.441 1.00 0.13 H new ATOM 0 HA THR A 46 -15.543 -2.511 -0.888 1.00 0.18 H new ATOM 0 HB THR A 46 -15.871 0.043 -1.314 1.00 0.20 H new ATOM 0 HG1 THR A 46 -16.420 0.364 -3.624 1.00 0.19 H new ATOM 0 HG21 THR A 46 -14.127 0.107 -3.072 1.00 0.18 H new ATOM 0 HG22 THR A 46 -13.748 -1.146 -1.867 1.00 0.18 H new ATOM 0 HG23 THR A 46 -14.431 -1.606 -3.445 1.00 0.18 H new ATOM 694 N GLY A 47 -17.343 -0.948 0.362 1.00 0.11 N ATOM 695 CA GLY A 47 -18.490 -0.609 1.249 1.00 0.09 C ATOM 696 C GLY A 47 -18.016 -0.266 2.661 1.00 0.13 C ATOM 697 O GLY A 47 -16.868 0.075 2.872 1.00 0.32 O ATOM 0 H GLY A 47 -16.453 -0.515 0.607 1.00 0.11 H new ATOM 0 HA2 GLY A 47 -19.038 0.236 0.832 1.00 0.09 H new ATOM 0 HA3 GLY A 47 -19.182 -1.450 1.289 1.00 0.09 H new ATOM 701 N MET A 48 -18.923 -0.371 3.594 1.00 0.15 N ATOM 702 CA MET A 48 -18.591 -0.063 5.007 1.00 0.16 C ATOM 703 C MET A 48 -18.817 -1.279 5.891 1.00 0.10 C ATOM 704 O MET A 48 -19.688 -2.087 5.638 1.00 0.13 O ATOM 705 CB MET A 48 -19.529 1.055 5.455 1.00 0.19 C ATOM 706 CG MET A 48 -19.349 2.253 4.517 1.00 0.23 C ATOM 707 SD MET A 48 -19.999 3.849 5.071 1.00 0.28 S ATOM 708 CE MET A 48 -18.653 4.264 6.209 1.00 0.13 C ATOM 0 H MET A 48 -19.888 -0.660 3.432 1.00 0.15 H new ATOM 0 HA MET A 48 -17.544 0.229 5.089 1.00 0.16 H new ATOM 0 HB2 MET A 48 -20.563 0.711 5.435 1.00 0.19 H new ATOM 0 HB3 MET A 48 -19.309 1.344 6.483 1.00 0.19 H new ATOM 0 HG2 MET A 48 -18.283 2.372 4.324 1.00 0.23 H new ATOM 0 HG3 MET A 48 -19.820 2.009 3.565 1.00 0.23 H new ATOM 0 HE1 MET A 48 -18.853 5.230 6.672 1.00 0.13 H new ATOM 0 HE2 MET A 48 -18.582 3.499 6.982 1.00 0.13 H new ATOM 0 HE3 MET A 48 -17.713 4.312 5.659 1.00 0.13 H new ATOM 718 N PHE A 49 -18.027 -1.382 6.914 1.00 0.07 N ATOM 719 CA PHE A 49 -18.170 -2.529 7.832 1.00 0.09 C ATOM 720 C PHE A 49 -17.715 -2.110 9.235 1.00 0.08 C ATOM 721 O PHE A 49 -16.783 -1.341 9.361 1.00 0.06 O ATOM 722 CB PHE A 49 -17.242 -3.654 7.348 1.00 0.12 C ATOM 723 CG PHE A 49 -15.804 -3.147 7.378 1.00 0.11 C ATOM 724 CD1 PHE A 49 -15.391 -2.181 6.488 1.00 0.10 C ATOM 725 CD2 PHE A 49 -14.917 -3.584 8.350 1.00 0.19 C ATOM 726 CE1 PHE A 49 -14.129 -1.652 6.575 1.00 0.09 C ATOM 727 CE2 PHE A 49 -13.670 -3.042 8.433 1.00 0.22 C ATOM 728 CZ PHE A 49 -13.273 -2.089 7.548 1.00 0.15 C ATOM 0 H PHE A 49 -17.289 -0.720 7.153 1.00 0.07 H new ATOM 0 HA PHE A 49 -19.208 -2.860 7.855 1.00 0.09 H new ATOM 0 HB2 PHE A 49 -17.347 -4.531 7.986 1.00 0.12 H new ATOM 0 HB3 PHE A 49 -17.514 -3.960 6.338 1.00 0.12 H new ATOM 0 HD1 PHE A 49 -16.065 -1.838 5.717 1.00 0.10 H new ATOM 0 HD2 PHE A 49 -15.216 -4.356 9.043 1.00 0.19 H new ATOM 0 HE1 PHE A 49 -13.812 -0.892 5.877 1.00 0.09 H new ATOM 0 HE2 PHE A 49 -12.992 -3.371 9.207 1.00 0.22 H new ATOM 0 HZ PHE A 49 -12.277 -1.675 7.614 1.00 0.15 H new ATOM 738 N PRO A 50 -18.359 -2.601 10.271 1.00 0.12 N ATOM 739 CA PRO A 50 -17.957 -2.228 11.628 1.00 0.12 C ATOM 740 C PRO A 50 -16.485 -2.550 11.838 1.00 0.06 C ATOM 741 O PRO A 50 -16.047 -3.657 11.600 1.00 0.09 O ATOM 742 CB PRO A 50 -18.828 -3.087 12.551 1.00 0.18 C ATOM 743 CG PRO A 50 -19.861 -3.818 11.659 1.00 0.23 C ATOM 744 CD PRO A 50 -19.487 -3.550 10.199 1.00 0.17 C ATOM 0 HA PRO A 50 -18.086 -1.163 11.822 1.00 0.12 H new ATOM 0 HB2 PRO A 50 -18.217 -3.805 13.098 1.00 0.18 H new ATOM 0 HB3 PRO A 50 -19.331 -2.466 13.292 1.00 0.18 H new ATOM 0 HG2 PRO A 50 -19.855 -4.888 11.865 1.00 0.23 H new ATOM 0 HG3 PRO A 50 -20.869 -3.459 11.868 1.00 0.23 H new ATOM 0 HD2 PRO A 50 -19.200 -4.469 9.688 1.00 0.17 H new ATOM 0 HD3 PRO A 50 -20.326 -3.127 9.646 1.00 0.17 H new ATOM 752 N ARG A 51 -15.744 -1.577 12.270 1.00 0.13 N ATOM 753 CA ARG A 51 -14.298 -1.816 12.497 1.00 0.22 C ATOM 754 C ARG A 51 -14.066 -2.899 13.548 1.00 0.27 C ATOM 755 O ARG A 51 -13.101 -3.624 13.485 1.00 0.49 O ATOM 756 CB ARG A 51 -13.675 -0.521 13.009 1.00 0.39 C ATOM 757 CG ARG A 51 -12.191 -0.766 13.291 1.00 0.62 C ATOM 758 CD ARG A 51 -11.962 -0.947 14.794 1.00 0.47 C ATOM 759 NE ARG A 51 -10.707 -1.726 15.011 1.00 2.44 N ATOM 760 CZ ARG A 51 -10.459 -2.208 16.200 1.00 2.31 C ATOM 761 NH1 ARG A 51 -11.072 -1.692 17.228 1.00 1.38 N ATOM 762 NH2 ARG A 51 -9.606 -3.188 16.319 1.00 3.46 N ATOM 0 H ARG A 51 -16.072 -0.633 12.475 1.00 0.13 H new ATOM 0 HA ARG A 51 -13.851 -2.140 11.557 1.00 0.22 H new ATOM 0 HB2 ARG A 51 -13.793 0.272 12.271 1.00 0.39 H new ATOM 0 HB3 ARG A 51 -14.182 -0.191 13.916 1.00 0.39 H new ATOM 0 HG2 ARG A 51 -11.853 -1.653 12.755 1.00 0.62 H new ATOM 0 HG3 ARG A 51 -11.600 0.073 12.924 1.00 0.62 H new ATOM 0 HD2 ARG A 51 -11.890 0.025 15.282 1.00 0.47 H new ATOM 0 HD3 ARG A 51 -12.809 -1.467 15.243 1.00 0.47 H new ATOM 0 HE ARG A 51 -10.053 -1.880 14.243 1.00 2.44 H new ATOM 0 HH11 ARG A 51 -11.732 -0.926 17.096 1.00 1.38 H new ATOM 0 HH12 ARG A 51 -10.892 -2.055 18.164 1.00 1.38 H new ATOM 0 HH21 ARG A 51 -9.145 -3.566 15.492 1.00 3.46 H new ATOM 0 HH22 ARG A 51 -9.401 -3.576 17.240 1.00 3.46 H new ATOM 776 N ASN A 52 -14.945 -2.984 14.508 1.00 0.17 N ATOM 777 CA ASN A 52 -14.754 -4.023 15.555 1.00 0.18 C ATOM 778 C ASN A 52 -15.088 -5.417 15.053 1.00 0.12 C ATOM 779 O ASN A 52 -14.974 -6.381 15.783 1.00 0.14 O ATOM 780 CB ASN A 52 -15.649 -3.690 16.752 1.00 0.20 C ATOM 781 CG ASN A 52 -15.184 -4.501 17.964 1.00 1.06 C ATOM 782 OD1 ASN A 52 -14.511 -3.998 18.840 1.00 1.48 O ATOM 783 ND2 ASN A 52 -15.518 -5.759 18.050 1.00 1.70 N ATOM 0 H ASN A 52 -15.770 -2.393 14.612 1.00 0.17 H new ATOM 0 HA ASN A 52 -13.702 -4.021 15.840 1.00 0.18 H new ATOM 0 HB2 ASN A 52 -15.602 -2.624 16.972 1.00 0.20 H new ATOM 0 HB3 ASN A 52 -16.689 -3.922 16.521 1.00 0.20 H new ATOM 0 HD21 ASN A 52 -15.214 -6.314 18.850 1.00 1.70 H new ATOM 0 HD22 ASN A 52 -16.083 -6.188 17.317 1.00 1.70 H new ATOM 790 N TYR A 53 -15.478 -5.502 13.820 1.00 0.10 N ATOM 791 CA TYR A 53 -15.819 -6.836 13.265 1.00 0.09 C ATOM 792 C TYR A 53 -14.627 -7.387 12.498 1.00 0.10 C ATOM 793 O TYR A 53 -14.742 -8.344 11.760 1.00 0.19 O ATOM 794 CB TYR A 53 -17.023 -6.706 12.329 1.00 0.11 C ATOM 795 CG TYR A 53 -18.263 -7.169 13.081 1.00 0.10 C ATOM 796 CD1 TYR A 53 -18.692 -6.505 14.210 1.00 0.07 C ATOM 797 CD2 TYR A 53 -18.958 -8.278 12.652 1.00 0.12 C ATOM 798 CE1 TYR A 53 -19.802 -6.946 14.898 1.00 0.07 C ATOM 799 CE2 TYR A 53 -20.061 -8.716 13.337 1.00 0.10 C ATOM 800 CZ TYR A 53 -20.495 -8.057 14.466 1.00 0.08 C ATOM 801 OH TYR A 53 -21.603 -8.505 15.156 1.00 0.09 O ATOM 0 H TYR A 53 -15.576 -4.717 13.176 1.00 0.10 H new ATOM 0 HA TYR A 53 -16.068 -7.517 14.079 1.00 0.09 H new ATOM 0 HB2 TYR A 53 -17.140 -5.673 12.002 1.00 0.11 H new ATOM 0 HB3 TYR A 53 -16.875 -7.309 11.433 1.00 0.11 H new ATOM 0 HD1 TYR A 53 -18.156 -5.634 14.557 1.00 0.07 H new ATOM 0 HD2 TYR A 53 -18.631 -8.807 11.769 1.00 0.12 H new ATOM 0 HE1 TYR A 53 -20.131 -6.418 15.781 1.00 0.07 H new ATOM 0 HE2 TYR A 53 -20.596 -9.587 12.988 1.00 0.10 H new ATOM 0 HH TYR A 53 -21.968 -9.298 14.710 1.00 0.09 H new ATOM 811 N VAL A 54 -13.503 -6.744 12.687 1.00 0.08 N ATOM 812 CA VAL A 54 -12.257 -7.183 11.997 1.00 0.07 C ATOM 813 C VAL A 54 -11.074 -7.087 12.958 1.00 0.12 C ATOM 814 O VAL A 54 -11.201 -6.549 14.041 1.00 0.11 O ATOM 815 CB VAL A 54 -11.959 -6.264 10.812 1.00 0.07 C ATOM 816 CG1 VAL A 54 -12.989 -6.489 9.698 1.00 0.14 C ATOM 817 CG2 VAL A 54 -11.968 -4.797 11.248 1.00 0.13 C ATOM 0 H VAL A 54 -13.396 -5.930 13.293 1.00 0.08 H new ATOM 0 HA VAL A 54 -12.400 -8.209 11.658 1.00 0.07 H new ATOM 0 HB VAL A 54 -10.966 -6.504 10.432 1.00 0.07 H new ATOM 0 HG11 VAL A 54 -12.767 -5.829 8.859 1.00 0.14 H new ATOM 0 HG12 VAL A 54 -12.945 -7.526 9.366 1.00 0.14 H new ATOM 0 HG13 VAL A 54 -13.988 -6.271 10.077 1.00 0.14 H new ATOM 0 HG21 VAL A 54 -11.754 -4.161 10.389 1.00 0.13 H new ATOM 0 HG22 VAL A 54 -12.948 -4.543 11.652 1.00 0.13 H new ATOM 0 HG23 VAL A 54 -11.209 -4.640 12.014 1.00 0.13 H new ATOM 827 N THR A 55 -9.951 -7.610 12.548 1.00 0.20 N ATOM 828 CA THR A 55 -8.744 -7.555 13.418 1.00 0.27 C ATOM 829 C THR A 55 -7.533 -7.152 12.553 1.00 0.30 C ATOM 830 O THR A 55 -7.237 -7.830 11.589 1.00 0.37 O ATOM 831 CB THR A 55 -8.517 -8.956 13.978 1.00 0.39 C ATOM 832 OG1 THR A 55 -7.116 -9.157 13.956 1.00 0.55 O ATOM 833 CG2 THR A 55 -9.076 -9.992 13.013 1.00 0.36 C ATOM 0 H THR A 55 -9.818 -8.073 11.649 1.00 0.20 H new ATOM 0 HA THR A 55 -8.872 -6.835 14.226 1.00 0.27 H new ATOM 0 HB THR A 55 -8.976 -9.049 14.962 1.00 0.39 H new ATOM 0 HG1 THR A 55 -6.908 -10.047 14.309 1.00 0.55 H new ATOM 0 HG21 THR A 55 -8.912 -10.991 13.417 1.00 0.36 H new ATOM 0 HG22 THR A 55 -10.145 -9.826 12.880 1.00 0.36 H new ATOM 0 HG23 THR A 55 -8.572 -9.902 12.051 1.00 0.36 H new ATOM 841 N PRO A 56 -6.839 -6.072 12.884 1.00 0.74 N ATOM 842 CA PRO A 56 -5.683 -5.662 12.072 1.00 1.04 C ATOM 843 C PRO A 56 -4.563 -6.698 12.106 1.00 1.31 C ATOM 844 O PRO A 56 -4.336 -7.338 13.113 1.00 1.70 O ATOM 845 CB PRO A 56 -5.190 -4.355 12.715 1.00 1.68 C ATOM 846 CG PRO A 56 -5.989 -4.142 14.021 1.00 1.70 C ATOM 847 CD PRO A 56 -7.095 -5.208 14.062 1.00 1.05 C ATOM 0 HA PRO A 56 -5.966 -5.548 11.026 1.00 1.04 H new ATOM 0 HB2 PRO A 56 -4.122 -4.412 12.925 1.00 1.68 H new ATOM 0 HB3 PRO A 56 -5.337 -3.515 12.036 1.00 1.68 H new ATOM 0 HG2 PRO A 56 -5.336 -4.232 14.889 1.00 1.70 H new ATOM 0 HG3 PRO A 56 -6.419 -3.141 14.049 1.00 1.70 H new ATOM 0 HD2 PRO A 56 -7.056 -5.782 14.988 1.00 1.05 H new ATOM 0 HD3 PRO A 56 -8.084 -4.753 14.010 1.00 1.05 H new ATOM 855 N VAL A 57 -3.895 -6.839 10.992 1.00 1.26 N ATOM 856 CA VAL A 57 -2.781 -7.818 10.910 1.00 1.72 C ATOM 857 C VAL A 57 -1.454 -7.062 10.885 1.00 2.34 C ATOM 858 O VAL A 57 -1.044 -6.554 9.858 1.00 4.08 O ATOM 859 CB VAL A 57 -2.943 -8.630 9.614 1.00 1.27 C ATOM 860 CG1 VAL A 57 -2.845 -10.123 9.937 1.00 1.87 C ATOM 861 CG2 VAL A 57 -4.318 -8.342 9.009 1.00 1.03 C ATOM 0 H VAL A 57 -4.076 -6.316 10.135 1.00 1.26 H new ATOM 0 HA VAL A 57 -2.795 -8.488 11.770 1.00 1.72 H new ATOM 0 HB VAL A 57 -2.160 -8.352 8.908 1.00 1.27 H new ATOM 0 HG11 VAL A 57 -2.959 -10.702 9.020 1.00 1.87 H new ATOM 0 HG12 VAL A 57 -1.873 -10.336 10.382 1.00 1.87 H new ATOM 0 HG13 VAL A 57 -3.633 -10.396 10.639 1.00 1.87 H new ATOM 0 HG21 VAL A 57 -4.438 -8.915 8.090 1.00 1.03 H new ATOM 0 HG22 VAL A 57 -5.095 -8.627 9.719 1.00 1.03 H new ATOM 0 HG23 VAL A 57 -4.402 -7.278 8.787 1.00 1.03 H new ATOM 871 N ASN A 58 -0.818 -6.984 12.025 1.00 2.02 N ATOM 872 CA ASN A 58 0.482 -6.261 12.098 1.00 2.31 C ATOM 873 C ASN A 58 1.498 -7.009 12.955 1.00 1.36 C ATOM 874 O ASN A 58 1.754 -6.637 14.084 1.00 2.62 O ATOM 875 CB ASN A 58 0.218 -4.897 12.745 1.00 3.83 C ATOM 876 CG ASN A 58 -0.631 -5.104 14.002 1.00 4.84 C ATOM 877 OD1 ASN A 58 -0.546 -6.122 14.659 1.00 6.48 O ATOM 878 ND2 ASN A 58 -1.463 -4.167 14.371 1.00 4.56 N ATOM 0 H ASN A 58 -1.142 -7.388 12.904 1.00 2.02 H new ATOM 0 HA ASN A 58 0.890 -6.169 11.091 1.00 2.31 H new ATOM 0 HB2 ASN A 58 1.160 -4.412 13.001 1.00 3.83 H new ATOM 0 HB3 ASN A 58 -0.298 -4.240 12.045 1.00 3.83 H new ATOM 0 HD21 ASN A 58 -2.036 -4.293 15.206 1.00 4.56 H new ATOM 0 HD22 ASN A 58 -1.540 -3.309 13.824 1.00 4.56 H new ATOM 885 N ARG A 59 2.063 -8.047 12.406 1.00 0.75 N ATOM 886 CA ARG A 59 3.065 -8.825 13.178 1.00 2.38 C ATOM 887 C ARG A 59 4.000 -9.584 12.240 1.00 3.74 C ATOM 888 O ARG A 59 5.156 -9.704 12.610 1.00 5.05 O ATOM 889 CB ARG A 59 2.324 -9.833 14.070 1.00 2.21 C ATOM 890 CG ARG A 59 1.198 -10.490 13.268 1.00 4.50 C ATOM 891 CD ARG A 59 0.827 -11.822 13.924 1.00 5.35 C ATOM 892 NE ARG A 59 0.948 -11.689 15.404 1.00 4.75 N ATOM 893 CZ ARG A 59 1.229 -12.743 16.121 1.00 6.45 C ATOM 894 NH1 ARG A 59 2.195 -13.531 15.737 1.00 7.47 N ATOM 895 NH2 ARG A 59 0.529 -12.977 17.198 1.00 7.26 N ATOM 896 OXT ARG A 59 3.509 -9.996 11.202 1.00 3.84 O ATOM 0 H ARG A 59 1.875 -8.387 11.463 1.00 0.75 H new ATOM 0 HA ARG A 59 3.659 -8.139 13.782 1.00 2.38 H new ATOM 0 HB2 ARG A 59 3.017 -10.592 14.434 1.00 2.21 H new ATOM 0 HB3 ARG A 59 1.915 -9.329 14.946 1.00 2.21 H new ATOM 0 HG2 ARG A 59 0.329 -9.833 13.233 1.00 4.50 H new ATOM 0 HG3 ARG A 59 1.516 -10.654 12.238 1.00 4.50 H new ATOM 0 HD2 ARG A 59 -0.191 -12.103 13.654 1.00 5.35 H new ATOM 0 HD3 ARG A 59 1.483 -12.614 13.563 1.00 5.35 H new ATOM 0 HE ARG A 59 0.812 -10.783 15.852 1.00 4.75 H new ATOM 0 HH11 ARG A 59 2.718 -13.320 14.887 1.00 7.47 H new ATOM 0 HH12 ARG A 59 2.427 -14.359 16.286 1.00 7.47 H new ATOM 0 HH21 ARG A 59 -0.222 -12.341 17.466 1.00 7.26 H new ATOM 0 HH22 ARG A 59 0.733 -13.795 17.771 1.00 7.26 H new TER 910 ARG A 59