USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 840 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: C 39 TYR OH : rot -9:sc= -0.253 USER MOD Set 1.2: C 50 HIS : no HE2:sc= -2.21 X(o=-2.5,f=-2.8) USER MOD Set 2.1: B 21 ASN : amide:sc= -2.92 K(o=-3.4,f=-4.1) USER MOD Set 2.2: B 52 ASN : amide:sc= -0.442 K(o=-3.4,f=-2.5) USER MOD Set 3.1: A 21 ASN : amide:sc= -8.27! C(o=-9.7!,f=-8.5!) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.44 K(o=-9.7,f=-8.5) USER MOD Set 4.1: A 35 HIS : no HD1:sc=-0.00847 X(o=-0.018,f=-0.17) USER MOD Set 4.2: B 23 ASN : amide:sc=-0.00941 K(o=-0.018,f=-1.7) USER MOD Single : A 18 TYR OH : rot 80:sc= -3.44! USER MOD Single : A 23 ASN : amide:sc= -3.45! X(o=-3.4!,f=-3.4) USER MOD Single : A 26 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.52) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 77:sc= 0.0402 USER MOD Single : A 39 SER OG : rot -32:sc= 0.173 USER MOD Single : A 40 GLN : amide:sc= -0.953 K(o=-0.95,f=-5.3!) USER MOD Single : A 41 SER OG : rot -79:sc= 1.02 USER MOD Single : A 43 ASN : amide:sc= -2.6! K(o=-2.6!,f=-0.27) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0223) USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= 1.29 (180deg=1.28) USER MOD Single : A 55 GLN : amide:sc= -0.878 K(o=-0.88,f=-2.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= -0.0371 USER MOD Single : B 26 GLN : amide:sc= -4.53! K(o=-4.5!,f=-0.29) USER MOD Single : B 32 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : B 33 SER OG : rot 71:sc= 0.177 USER MOD Single : B 35 HIS : no HD1:sc= -0.0049 X(o=-0.0049,f=-0.0069) USER MOD Single : B 39 SER OG : rot 180:sc= 0.0183 USER MOD Single : B 40 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.00055) USER MOD Single : B 41 SER OG : rot 150:sc= 0.235 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 158:sc= -0.299 (180deg=-0.661) USER MOD Single : B 50 LYS NZ :NH3+ 146:sc= 1.16 (180deg=1.01) USER MOD Single : B 55 GLN : amide:sc= -2.18 K(o=-2.2,f=-0.34) USER MOD Single : B 58 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0543) USER MOD Single : C 42 SER OG : rot 180:sc= -0.21 USER MOD Single : C 43 LYS NZ :NH3+ 144:sc= -1.04 (180deg=-2.33!) USER MOD Single : C 44 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : C 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 THR OG1 : rot 38:sc= 0.00773 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 13 -11.117 -3.653 -13.436 1.00 2.62 N ATOM 2 CA ASP A 13 -10.397 -4.919 -13.173 1.00 1.91 C ATOM 3 C ASP A 13 -8.975 -4.642 -12.708 1.00 1.47 C ATOM 4 O ASP A 13 -8.030 -4.686 -13.500 1.00 2.03 O ATOM 5 CB ASP A 13 -10.368 -5.790 -14.432 1.00 2.11 C ATOM 6 CG ASP A 13 -11.748 -6.233 -14.861 1.00 2.62 C ATOM 7 OD1 ASP A 13 -12.523 -5.382 -15.348 1.00 3.19 O ATOM 8 OD2 ASP A 13 -12.068 -7.432 -14.723 1.00 3.14 O ATOM 0 HA ASP A 13 -10.928 -5.452 -12.384 1.00 1.91 H new ATOM 0 HB2 ASP A 13 -9.900 -5.234 -15.244 1.00 2.11 H new ATOM 0 HB3 ASP A 13 -9.749 -6.668 -14.248 1.00 2.11 H new ATOM 15 N GLY A 14 -8.832 -4.344 -11.425 1.00 0.76 N ATOM 16 CA GLY A 14 -7.523 -4.100 -10.856 1.00 0.80 C ATOM 17 C GLY A 14 -7.019 -2.701 -11.147 1.00 0.66 C ATOM 18 O GLY A 14 -5.998 -2.531 -11.810 1.00 0.96 O ATOM 0 H GLY A 14 -9.605 -4.267 -10.764 1.00 0.76 H new ATOM 0 HA2 GLY A 14 -7.565 -4.251 -9.777 1.00 0.80 H new ATOM 0 HA3 GLY A 14 -6.816 -4.828 -11.253 1.00 0.80 H new ATOM 22 N GLU A 15 -7.731 -1.696 -10.647 1.00 0.31 N ATOM 23 CA GLU A 15 -7.372 -0.307 -10.914 1.00 0.18 C ATOM 24 C GLU A 15 -6.786 0.347 -9.670 1.00 0.13 C ATOM 25 O GLU A 15 -7.141 -0.005 -8.550 1.00 0.17 O ATOM 26 CB GLU A 15 -8.586 0.459 -11.436 1.00 0.24 C ATOM 27 CG GLU A 15 -9.586 0.869 -10.380 1.00 0.30 C ATOM 28 CD GLU A 15 -10.791 1.565 -10.977 1.00 0.58 C ATOM 29 OE1 GLU A 15 -10.696 2.766 -11.306 1.00 1.58 O ATOM 30 OE2 GLU A 15 -11.839 0.909 -11.139 1.00 0.94 O ATOM 0 H GLU A 15 -8.555 -1.816 -10.058 1.00 0.31 H new ATOM 0 HA GLU A 15 -6.603 -0.283 -11.686 1.00 0.18 H new ATOM 0 HB2 GLU A 15 -8.238 1.354 -11.952 1.00 0.24 H new ATOM 0 HB3 GLU A 15 -9.095 -0.158 -12.177 1.00 0.24 H new ATOM 0 HG2 GLU A 15 -9.913 -0.013 -9.829 1.00 0.30 H new ATOM 0 HG3 GLU A 15 -9.103 1.532 -9.662 1.00 0.30 H new ATOM 37 N ILE A 16 -5.890 1.299 -9.873 1.00 0.12 N ATOM 38 CA ILE A 16 -5.085 1.823 -8.779 1.00 0.11 C ATOM 39 C ILE A 16 -5.599 3.162 -8.268 1.00 0.10 C ATOM 40 O ILE A 16 -6.139 3.971 -9.021 1.00 0.14 O ATOM 41 CB ILE A 16 -3.614 2.016 -9.191 1.00 0.12 C ATOM 42 CG1 ILE A 16 -3.082 0.782 -9.922 1.00 0.13 C ATOM 43 CG2 ILE A 16 -2.764 2.304 -7.962 1.00 0.11 C ATOM 44 CD1 ILE A 16 -2.510 -0.254 -9.000 1.00 0.12 C ATOM 0 H ILE A 16 -5.701 1.724 -10.781 1.00 0.12 H new ATOM 0 HA ILE A 16 -5.160 1.077 -7.988 1.00 0.11 H new ATOM 0 HB ILE A 16 -3.558 2.864 -9.873 1.00 0.12 H new ATOM 0 HG12 ILE A 16 -3.890 0.336 -10.502 1.00 0.13 H new ATOM 0 HG13 ILE A 16 -2.314 1.091 -10.631 1.00 0.13 H new ATOM 0 HG21 ILE A 16 -1.725 2.439 -8.262 1.00 0.11 H new ATOM 0 HG22 ILE A 16 -3.123 3.211 -7.476 1.00 0.11 H new ATOM 0 HG23 ILE A 16 -2.835 1.468 -7.266 1.00 0.11 H new ATOM 0 HD11 ILE A 16 -2.151 -1.102 -9.583 1.00 0.12 H new ATOM 0 HD12 ILE A 16 -1.681 0.177 -8.438 1.00 0.12 H new ATOM 0 HD13 ILE A 16 -3.282 -0.591 -8.308 1.00 0.12 H new ATOM 56 N PHE A 17 -5.411 3.366 -6.975 1.00 0.09 N ATOM 57 CA PHE A 17 -5.728 4.614 -6.305 1.00 0.09 C ATOM 58 C PHE A 17 -4.651 4.918 -5.267 1.00 0.07 C ATOM 59 O PHE A 17 -4.565 4.234 -4.256 1.00 0.07 O ATOM 60 CB PHE A 17 -7.095 4.492 -5.629 1.00 0.09 C ATOM 61 CG PHE A 17 -8.224 4.350 -6.606 1.00 0.12 C ATOM 62 CD1 PHE A 17 -8.702 5.451 -7.296 1.00 1.11 C ATOM 63 CD2 PHE A 17 -8.801 3.113 -6.841 1.00 1.24 C ATOM 64 CE1 PHE A 17 -9.735 5.320 -8.202 1.00 1.09 C ATOM 65 CE2 PHE A 17 -9.834 2.978 -7.743 1.00 1.28 C ATOM 66 CZ PHE A 17 -10.302 4.083 -8.425 1.00 0.22 C ATOM 0 H PHE A 17 -5.027 2.656 -6.351 1.00 0.09 H new ATOM 0 HA PHE A 17 -5.761 5.427 -7.030 1.00 0.09 H new ATOM 0 HB2 PHE A 17 -7.088 3.629 -4.963 1.00 0.09 H new ATOM 0 HB3 PHE A 17 -7.267 5.372 -5.009 1.00 0.09 H new ATOM 0 HD1 PHE A 17 -8.262 6.422 -7.124 1.00 1.11 H new ATOM 0 HD2 PHE A 17 -8.437 2.245 -6.312 1.00 1.24 H new ATOM 0 HE1 PHE A 17 -10.099 6.186 -8.736 1.00 1.09 H new ATOM 0 HE2 PHE A 17 -10.277 2.008 -7.916 1.00 1.28 H new ATOM 0 HZ PHE A 17 -11.111 3.979 -9.132 1.00 0.22 H new ATOM 76 N TYR A 18 -3.800 5.904 -5.530 1.00 0.07 N ATOM 77 CA TYR A 18 -2.711 6.225 -4.606 1.00 0.06 C ATOM 78 C TYR A 18 -3.183 7.110 -3.459 1.00 0.07 C ATOM 79 O TYR A 18 -3.952 8.049 -3.661 1.00 0.09 O ATOM 80 CB TYR A 18 -1.563 6.920 -5.335 1.00 0.06 C ATOM 81 CG TYR A 18 -1.068 6.161 -6.536 1.00 0.06 C ATOM 82 CD1 TYR A 18 -0.301 5.011 -6.394 1.00 1.15 C ATOM 83 CD2 TYR A 18 -1.380 6.592 -7.812 1.00 1.19 C ATOM 84 CE1 TYR A 18 0.145 4.314 -7.499 1.00 1.16 C ATOM 85 CE2 TYR A 18 -0.944 5.905 -8.920 1.00 1.20 C ATOM 86 CZ TYR A 18 -0.183 4.770 -8.764 1.00 0.09 C ATOM 87 OH TYR A 18 0.245 4.090 -9.876 1.00 0.10 O ATOM 0 H TYR A 18 -3.839 6.490 -6.364 1.00 0.07 H new ATOM 0 HA TYR A 18 -2.361 5.279 -4.194 1.00 0.06 H new ATOM 0 HB2 TYR A 18 -1.890 7.911 -5.651 1.00 0.06 H new ATOM 0 HB3 TYR A 18 -0.736 7.064 -4.640 1.00 0.06 H new ATOM 0 HD1 TYR A 18 -0.050 4.657 -5.405 1.00 1.15 H new ATOM 0 HD2 TYR A 18 -1.976 7.483 -7.940 1.00 1.19 H new ATOM 0 HE1 TYR A 18 0.743 3.423 -7.378 1.00 1.16 H new ATOM 0 HE2 TYR A 18 -1.198 6.255 -9.910 1.00 1.20 H new ATOM 0 HH TYR A 18 -0.337 3.317 -10.031 1.00 0.10 H new ATOM 97 N LEU A 19 -2.698 6.814 -2.256 1.00 0.07 N ATOM 98 CA LEU A 19 -2.995 7.620 -1.083 1.00 0.08 C ATOM 99 C LEU A 19 -1.689 8.052 -0.425 1.00 0.11 C ATOM 100 O LEU A 19 -1.365 7.598 0.669 1.00 0.12 O ATOM 101 CB LEU A 19 -3.810 6.843 -0.036 1.00 0.07 C ATOM 102 CG LEU A 19 -5.110 6.160 -0.490 1.00 0.07 C ATOM 103 CD1 LEU A 19 -5.992 7.109 -1.274 1.00 0.08 C ATOM 104 CD2 LEU A 19 -4.833 4.896 -1.277 1.00 0.08 C ATOM 0 H LEU A 19 -2.093 6.014 -2.071 1.00 0.07 H new ATOM 0 HA LEU A 19 -3.580 8.476 -1.420 1.00 0.08 H new ATOM 0 HB2 LEU A 19 -3.162 6.077 0.389 1.00 0.07 H new ATOM 0 HB3 LEU A 19 -4.060 7.532 0.770 1.00 0.07 H new ATOM 0 HG LEU A 19 -5.652 5.873 0.411 1.00 0.07 H new ATOM 0 HD11 LEU A 19 -6.902 6.592 -1.579 1.00 0.08 H new ATOM 0 HD12 LEU A 19 -6.252 7.964 -0.650 1.00 0.08 H new ATOM 0 HD13 LEU A 19 -5.458 7.455 -2.159 1.00 0.08 H new ATOM 0 HD21 LEU A 19 -5.776 4.442 -1.580 1.00 0.08 H new ATOM 0 HD22 LEU A 19 -4.246 5.140 -2.163 1.00 0.08 H new ATOM 0 HD23 LEU A 19 -4.276 4.195 -0.655 1.00 0.08 H new ATOM 116 N PRO A 20 -0.931 8.958 -1.053 1.00 0.13 N ATOM 117 CA PRO A 20 0.385 9.364 -0.547 1.00 0.16 C ATOM 118 C PRO A 20 0.284 10.281 0.658 1.00 0.22 C ATOM 119 O PRO A 20 1.293 10.718 1.209 1.00 0.28 O ATOM 120 CB PRO A 20 0.986 10.127 -1.720 1.00 0.16 C ATOM 121 CG PRO A 20 -0.190 10.690 -2.436 1.00 0.16 C ATOM 122 CD PRO A 20 -1.288 9.673 -2.293 1.00 0.13 C ATOM 0 HA PRO A 20 0.973 8.508 -0.215 1.00 0.16 H new ATOM 0 HB2 PRO A 20 1.658 10.914 -1.379 1.00 0.16 H new ATOM 0 HB3 PRO A 20 1.567 9.469 -2.366 1.00 0.16 H new ATOM 0 HG2 PRO A 20 -0.486 11.647 -2.007 1.00 0.16 H new ATOM 0 HG3 PRO A 20 0.042 10.869 -3.486 1.00 0.16 H new ATOM 0 HD2 PRO A 20 -2.267 10.146 -2.216 1.00 0.13 H new ATOM 0 HD3 PRO A 20 -1.326 8.999 -3.149 1.00 0.13 H new ATOM 130 N ASN A 21 -0.937 10.559 1.075 1.00 0.22 N ATOM 131 CA ASN A 21 -1.167 11.563 2.101 1.00 0.27 C ATOM 132 C ASN A 21 -1.375 10.902 3.437 1.00 0.25 C ATOM 133 O ASN A 21 -0.984 11.421 4.481 1.00 0.31 O ATOM 134 CB ASN A 21 -2.391 12.406 1.761 1.00 0.30 C ATOM 135 CG ASN A 21 -2.235 13.164 0.462 1.00 0.54 C ATOM 136 OD1 ASN A 21 -1.122 13.440 0.016 1.00 1.15 O ATOM 137 ND2 ASN A 21 -3.351 13.531 -0.139 1.00 0.35 N ATOM 0 H ASN A 21 -1.781 10.108 0.723 1.00 0.22 H new ATOM 0 HA ASN A 21 -0.290 12.209 2.147 1.00 0.27 H new ATOM 0 HB2 ASN A 21 -3.266 11.759 1.697 1.00 0.30 H new ATOM 0 HB3 ASN A 21 -2.576 13.113 2.570 1.00 0.30 H new ATOM 0 HD21 ASN A 21 -3.311 14.064 -1.007 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -4.254 13.281 0.265 1.00 0.35 H new ATOM 144 N LEU A 22 -1.966 9.732 3.377 1.00 0.18 N ATOM 145 CA LEU A 22 -2.411 9.031 4.557 1.00 0.17 C ATOM 146 C LEU A 22 -1.205 8.464 5.287 1.00 0.20 C ATOM 147 O LEU A 22 -0.422 7.716 4.709 1.00 0.35 O ATOM 148 CB LEU A 22 -3.387 7.929 4.127 1.00 0.14 C ATOM 149 CG LEU A 22 -4.440 8.409 3.119 1.00 0.11 C ATOM 150 CD1 LEU A 22 -5.495 7.352 2.838 1.00 0.09 C ATOM 151 CD2 LEU A 22 -5.086 9.686 3.608 1.00 0.11 C ATOM 0 H LEU A 22 -2.152 9.238 2.504 1.00 0.18 H new ATOM 0 HA LEU A 22 -2.928 9.703 5.242 1.00 0.17 H new ATOM 0 HB2 LEU A 22 -2.824 7.105 3.689 1.00 0.14 H new ATOM 0 HB3 LEU A 22 -3.892 7.536 5.009 1.00 0.14 H new ATOM 0 HG LEU A 22 -3.925 8.603 2.178 1.00 0.11 H new ATOM 0 HD11 LEU A 22 -6.217 7.740 2.119 1.00 0.09 H new ATOM 0 HD12 LEU A 22 -5.018 6.462 2.428 1.00 0.09 H new ATOM 0 HD13 LEU A 22 -6.008 7.095 3.765 1.00 0.09 H new ATOM 0 HD21 LEU A 22 -5.831 10.017 2.885 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -5.568 9.505 4.569 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -4.325 10.458 3.724 1.00 0.11 H new ATOM 163 N ASN A 23 -1.022 8.866 6.536 1.00 0.17 N ATOM 164 CA ASN A 23 0.116 8.398 7.315 1.00 0.20 C ATOM 165 C ASN A 23 0.021 6.900 7.536 1.00 0.24 C ATOM 166 O ASN A 23 -1.074 6.348 7.477 1.00 0.34 O ATOM 167 CB ASN A 23 0.229 9.151 8.650 1.00 0.33 C ATOM 168 CG ASN A 23 -0.992 9.033 9.536 1.00 0.66 C ATOM 169 OD1 ASN A 23 -1.946 9.793 9.395 1.00 1.47 O ATOM 170 ND2 ASN A 23 -0.953 8.124 10.492 1.00 0.99 N ATOM 0 H ASN A 23 -1.641 9.510 7.029 1.00 0.17 H new ATOM 0 HA ASN A 23 1.025 8.606 6.750 1.00 0.20 H new ATOM 0 HB2 ASN A 23 1.096 8.775 9.194 1.00 0.33 H new ATOM 0 HB3 ASN A 23 0.414 10.205 8.445 1.00 0.33 H new ATOM 0 HD21 ASN A 23 -1.732 8.036 11.144 1.00 0.99 H new ATOM 0 HD22 ASN A 23 -0.144 7.510 10.579 1.00 0.99 H new ATOM 177 N PRO A 24 1.162 6.221 7.744 1.00 0.22 N ATOM 178 CA PRO A 24 1.221 4.759 7.891 1.00 0.23 C ATOM 179 C PRO A 24 0.074 4.171 8.714 1.00 0.23 C ATOM 180 O PRO A 24 -0.465 3.121 8.371 1.00 0.23 O ATOM 181 CB PRO A 24 2.553 4.566 8.605 1.00 0.25 C ATOM 182 CG PRO A 24 3.414 5.625 8.019 1.00 0.24 C ATOM 183 CD PRO A 24 2.511 6.820 7.834 1.00 0.22 C ATOM 0 HA PRO A 24 1.132 4.248 6.932 1.00 0.23 H new ATOM 0 HB2 PRO A 24 2.451 4.682 9.684 1.00 0.25 H new ATOM 0 HB3 PRO A 24 2.963 3.572 8.429 1.00 0.25 H new ATOM 0 HG2 PRO A 24 4.249 5.862 8.678 1.00 0.24 H new ATOM 0 HG3 PRO A 24 3.840 5.304 7.068 1.00 0.24 H new ATOM 0 HD2 PRO A 24 2.587 7.514 8.671 1.00 0.22 H new ATOM 0 HD3 PRO A 24 2.763 7.378 6.933 1.00 0.22 H new ATOM 191 N ASP A 25 -0.321 4.869 9.772 1.00 0.22 N ATOM 192 CA ASP A 25 -1.387 4.392 10.647 1.00 0.23 C ATOM 193 C ASP A 25 -2.713 4.354 9.894 1.00 0.24 C ATOM 194 O ASP A 25 -3.472 3.391 10.003 1.00 0.27 O ATOM 195 CB ASP A 25 -1.504 5.284 11.884 1.00 0.28 C ATOM 196 CG ASP A 25 -2.594 4.829 12.831 1.00 0.97 C ATOM 197 OD1 ASP A 25 -2.332 3.933 13.659 1.00 1.66 O ATOM 198 OD2 ASP A 25 -3.717 5.370 12.757 1.00 1.67 O ATOM 0 H ASP A 25 0.080 5.766 10.045 1.00 0.22 H new ATOM 0 HA ASP A 25 -1.141 3.381 10.972 1.00 0.23 H new ATOM 0 HB2 ASP A 25 -0.550 5.293 12.412 1.00 0.28 H new ATOM 0 HB3 ASP A 25 -1.705 6.308 11.571 1.00 0.28 H new ATOM 203 N GLN A 26 -2.966 5.396 9.106 1.00 0.23 N ATOM 204 CA GLN A 26 -4.163 5.464 8.271 1.00 0.25 C ATOM 205 C GLN A 26 -4.075 4.440 7.153 1.00 0.25 C ATOM 206 O GLN A 26 -4.998 3.662 6.917 1.00 0.26 O ATOM 207 CB GLN A 26 -4.267 6.843 7.642 1.00 0.26 C ATOM 208 CG GLN A 26 -4.091 7.968 8.629 1.00 0.29 C ATOM 209 CD GLN A 26 -5.352 8.268 9.412 1.00 0.31 C ATOM 210 OE1 GLN A 26 -5.584 7.710 10.481 1.00 0.59 O ATOM 211 NE2 GLN A 26 -6.174 9.150 8.877 1.00 0.21 N ATOM 0 H GLN A 26 -2.355 6.209 9.028 1.00 0.23 H new ATOM 0 HA GLN A 26 -5.034 5.263 8.894 1.00 0.25 H new ATOM 0 HB2 GLN A 26 -3.513 6.935 6.860 1.00 0.26 H new ATOM 0 HB3 GLN A 26 -5.240 6.942 7.160 1.00 0.26 H new ATOM 0 HG2 GLN A 26 -3.290 7.713 9.323 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -3.778 8.866 8.097 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -5.941 9.589 7.986 1.00 0.21 H new ATOM 0 HE22 GLN A 26 -7.042 9.393 9.354 1.00 0.21 H new ATOM 220 N LEU A 27 -2.944 4.476 6.467 1.00 0.24 N ATOM 221 CA LEU A 27 -2.686 3.609 5.324 1.00 0.25 C ATOM 222 C LEU A 27 -2.813 2.132 5.709 1.00 0.23 C ATOM 223 O LEU A 27 -3.419 1.343 4.984 1.00 0.25 O ATOM 224 CB LEU A 27 -1.291 3.922 4.761 1.00 0.28 C ATOM 225 CG LEU A 27 -1.175 4.015 3.240 1.00 0.15 C ATOM 226 CD1 LEU A 27 -2.520 3.849 2.547 1.00 0.17 C ATOM 227 CD2 LEU A 27 -0.561 5.348 2.879 1.00 0.23 C ATOM 0 H LEU A 27 -2.175 5.109 6.687 1.00 0.24 H new ATOM 0 HA LEU A 27 -3.433 3.800 4.553 1.00 0.25 H new ATOM 0 HB2 LEU A 27 -0.955 4.867 5.187 1.00 0.28 H new ATOM 0 HB3 LEU A 27 -0.602 3.153 5.109 1.00 0.28 H new ATOM 0 HG LEU A 27 -0.541 3.199 2.895 1.00 0.15 H new ATOM 0 HD11 LEU A 27 -2.385 3.923 1.468 1.00 0.17 H new ATOM 0 HD12 LEU A 27 -2.939 2.874 2.794 1.00 0.17 H new ATOM 0 HD13 LEU A 27 -3.201 4.632 2.882 1.00 0.17 H new ATOM 0 HD21 LEU A 27 -0.473 5.426 1.795 1.00 0.23 H new ATOM 0 HD22 LEU A 27 -1.195 6.153 3.251 1.00 0.23 H new ATOM 0 HD23 LEU A 27 0.428 5.427 3.330 1.00 0.23 H new ATOM 239 N CYS A 28 -2.256 1.770 6.858 1.00 0.21 N ATOM 240 CA CYS A 28 -2.365 0.408 7.368 1.00 0.22 C ATOM 241 C CYS A 28 -3.808 0.086 7.736 1.00 0.21 C ATOM 242 O CYS A 28 -4.305 -1.008 7.453 1.00 0.22 O ATOM 243 CB CYS A 28 -1.468 0.218 8.591 1.00 0.26 C ATOM 244 SG CYS A 28 -1.416 -1.492 9.224 1.00 0.32 S ATOM 0 H CYS A 28 -1.723 2.402 7.456 1.00 0.21 H new ATOM 0 HA CYS A 28 -2.040 -0.273 6.581 1.00 0.22 H new ATOM 0 HB2 CYS A 28 -0.455 0.530 8.336 1.00 0.26 H new ATOM 0 HB3 CYS A 28 -1.814 0.877 9.387 1.00 0.26 H new ATOM 249 N ALA A 29 -4.480 1.058 8.349 1.00 0.21 N ATOM 250 CA ALA A 29 -5.850 0.882 8.813 1.00 0.22 C ATOM 251 C ALA A 29 -6.782 0.519 7.668 1.00 0.17 C ATOM 252 O ALA A 29 -7.757 -0.211 7.864 1.00 0.18 O ATOM 253 CB ALA A 29 -6.345 2.142 9.507 1.00 0.24 C ATOM 0 H ALA A 29 -4.092 1.983 8.536 1.00 0.21 H new ATOM 0 HA ALA A 29 -5.852 0.058 9.527 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -7.370 1.992 9.847 1.00 0.24 H new ATOM 0 HB2 ALA A 29 -5.707 2.360 10.364 1.00 0.24 H new ATOM 0 HB3 ALA A 29 -6.313 2.978 8.809 1.00 0.24 H new ATOM 259 N PHE A 30 -6.479 1.020 6.470 1.00 0.13 N ATOM 260 CA PHE A 30 -7.317 0.746 5.315 1.00 0.10 C ATOM 261 C PHE A 30 -7.395 -0.758 5.058 1.00 0.09 C ATOM 262 O PHE A 30 -8.471 -1.337 5.167 1.00 0.09 O ATOM 263 CB PHE A 30 -6.777 1.510 4.078 1.00 0.10 C ATOM 264 CG PHE A 30 -7.221 0.985 2.721 1.00 0.07 C ATOM 265 CD1 PHE A 30 -8.417 0.303 2.562 1.00 1.18 C ATOM 266 CD2 PHE A 30 -6.418 1.166 1.603 1.00 1.16 C ATOM 267 CE1 PHE A 30 -8.798 -0.189 1.328 1.00 1.18 C ATOM 268 CE2 PHE A 30 -6.804 0.677 0.369 1.00 1.15 C ATOM 269 CZ PHE A 30 -7.990 -0.001 0.236 1.00 0.06 C ATOM 0 H PHE A 30 -5.669 1.610 6.281 1.00 0.13 H new ATOM 0 HA PHE A 30 -8.330 1.097 5.513 1.00 0.10 H new ATOM 0 HB2 PHE A 30 -7.082 2.553 4.159 1.00 0.10 H new ATOM 0 HB3 PHE A 30 -5.688 1.493 4.113 1.00 0.10 H new ATOM 0 HD1 PHE A 30 -9.061 0.154 3.416 1.00 1.18 H new ATOM 0 HD2 PHE A 30 -5.481 1.695 1.698 1.00 1.16 H new ATOM 0 HE1 PHE A 30 -9.732 -0.721 1.224 1.00 1.18 H new ATOM 0 HE2 PHE A 30 -6.171 0.829 -0.493 1.00 1.15 H new ATOM 0 HZ PHE A 30 -8.287 -0.386 -0.728 1.00 0.06 H new ATOM 279 N PHE A 31 -6.258 -1.407 4.830 1.00 0.10 N ATOM 280 CA PHE A 31 -6.274 -2.823 4.470 1.00 0.10 C ATOM 281 C PHE A 31 -6.529 -3.685 5.695 1.00 0.11 C ATOM 282 O PHE A 31 -6.920 -4.840 5.577 1.00 0.12 O ATOM 283 CB PHE A 31 -4.976 -3.274 3.804 1.00 0.11 C ATOM 284 CG PHE A 31 -4.512 -2.411 2.663 1.00 0.11 C ATOM 285 CD1 PHE A 31 -3.729 -1.291 2.889 1.00 0.94 C ATOM 286 CD2 PHE A 31 -4.845 -2.738 1.358 1.00 0.98 C ATOM 287 CE1 PHE A 31 -3.291 -0.510 1.836 1.00 0.94 C ATOM 288 CE2 PHE A 31 -4.406 -1.964 0.301 1.00 0.98 C ATOM 289 CZ PHE A 31 -3.629 -0.847 0.539 1.00 0.12 C ATOM 0 H PHE A 31 -5.330 -0.987 4.886 1.00 0.10 H new ATOM 0 HA PHE A 31 -7.083 -2.947 3.750 1.00 0.10 H new ATOM 0 HB2 PHE A 31 -4.190 -3.305 4.559 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -5.108 -4.293 3.439 1.00 0.11 H new ATOM 0 HD1 PHE A 31 -3.458 -1.025 3.900 1.00 0.94 H new ATOM 0 HD2 PHE A 31 -5.455 -3.608 1.165 1.00 0.98 H new ATOM 0 HE1 PHE A 31 -2.685 0.363 2.027 1.00 0.94 H new ATOM 0 HE2 PHE A 31 -4.670 -2.232 -0.711 1.00 0.98 H new ATOM 0 HZ PHE A 31 -3.287 -0.239 -0.286 1.00 0.12 H new ATOM 299 N HIS A 32 -6.281 -3.125 6.868 1.00 0.11 N ATOM 300 CA HIS A 32 -6.472 -3.850 8.123 1.00 0.12 C ATOM 301 C HIS A 32 -7.930 -4.282 8.251 1.00 0.12 C ATOM 302 O HIS A 32 -8.237 -5.375 8.722 1.00 0.15 O ATOM 303 CB HIS A 32 -6.074 -2.960 9.307 1.00 0.15 C ATOM 304 CG HIS A 32 -5.839 -3.704 10.587 1.00 0.23 C ATOM 305 ND1 HIS A 32 -6.799 -3.850 11.565 1.00 1.09 N ATOM 306 CD2 HIS A 32 -4.732 -4.323 11.058 1.00 1.05 C ATOM 307 CE1 HIS A 32 -6.291 -4.523 12.579 1.00 0.81 C ATOM 308 NE2 HIS A 32 -5.038 -4.824 12.298 1.00 0.65 N ATOM 0 H HIS A 32 -5.946 -2.168 6.982 1.00 0.11 H new ATOM 0 HA HIS A 32 -5.839 -4.738 8.126 1.00 0.12 H new ATOM 0 HB2 HIS A 32 -5.168 -2.413 9.047 1.00 0.15 H new ATOM 0 HB3 HIS A 32 -6.857 -2.220 9.469 1.00 0.15 H new ATOM 0 HD2 HIS A 32 -3.782 -4.407 10.551 1.00 1.05 H new ATOM 0 HE1 HIS A 32 -6.814 -4.784 13.487 1.00 0.81 H new ATOM 0 HE2 HIS A 32 -4.402 -5.343 12.903 1.00 0.65 H new ATOM 317 N SER A 33 -8.817 -3.399 7.815 1.00 0.11 N ATOM 318 CA SER A 33 -10.245 -3.672 7.787 1.00 0.13 C ATOM 319 C SER A 33 -10.563 -4.582 6.612 1.00 0.12 C ATOM 320 O SER A 33 -11.328 -5.540 6.719 1.00 0.14 O ATOM 321 CB SER A 33 -11.020 -2.359 7.653 1.00 0.15 C ATOM 322 OG SER A 33 -10.667 -1.452 8.686 1.00 0.22 O ATOM 0 H SER A 33 -8.566 -2.472 7.471 1.00 0.11 H new ATOM 0 HA SER A 33 -10.539 -4.164 8.714 1.00 0.13 H new ATOM 0 HB2 SER A 33 -10.814 -1.908 6.682 1.00 0.15 H new ATOM 0 HB3 SER A 33 -12.091 -2.559 7.690 1.00 0.15 H new ATOM 0 HG SER A 33 -9.795 -1.052 8.486 1.00 0.22 H new ATOM 328 N VAL A 34 -9.938 -4.247 5.496 1.00 0.10 N ATOM 329 CA VAL A 34 -10.154 -4.915 4.224 1.00 0.11 C ATOM 330 C VAL A 34 -9.794 -6.385 4.274 1.00 0.13 C ATOM 331 O VAL A 34 -10.578 -7.239 3.900 1.00 0.15 O ATOM 332 CB VAL A 34 -9.300 -4.282 3.118 1.00 0.10 C ATOM 333 CG1 VAL A 34 -9.577 -4.943 1.808 1.00 0.13 C ATOM 334 CG2 VAL A 34 -9.537 -2.806 3.000 1.00 0.08 C ATOM 0 H VAL A 34 -9.255 -3.491 5.448 1.00 0.10 H new ATOM 0 HA VAL A 34 -11.218 -4.804 4.013 1.00 0.11 H new ATOM 0 HB VAL A 34 -8.255 -4.432 3.391 1.00 0.10 H new ATOM 0 HG11 VAL A 34 -8.964 -4.484 1.032 1.00 0.13 H new ATOM 0 HG12 VAL A 34 -9.338 -6.004 1.878 1.00 0.13 H new ATOM 0 HG13 VAL A 34 -10.631 -4.824 1.556 1.00 0.13 H new ATOM 0 HG21 VAL A 34 -8.912 -2.400 2.205 1.00 0.08 H new ATOM 0 HG22 VAL A 34 -10.586 -2.623 2.766 1.00 0.08 H new ATOM 0 HG23 VAL A 34 -9.286 -2.321 3.943 1.00 0.08 H new ATOM 344 N HIS A 35 -8.593 -6.668 4.712 1.00 0.14 N ATOM 345 CA HIS A 35 -8.073 -8.026 4.648 1.00 0.17 C ATOM 346 C HIS A 35 -8.833 -8.949 5.588 1.00 0.18 C ATOM 347 O HIS A 35 -8.959 -10.145 5.331 1.00 0.21 O ATOM 348 CB HIS A 35 -6.573 -8.036 4.938 1.00 0.20 C ATOM 349 CG HIS A 35 -5.938 -9.392 4.852 1.00 0.36 C ATOM 350 ND1 HIS A 35 -5.747 -10.205 5.946 1.00 1.40 N ATOM 351 CD2 HIS A 35 -5.437 -10.071 3.792 1.00 0.85 C ATOM 352 CE1 HIS A 35 -5.156 -11.321 5.565 1.00 1.25 C ATOM 353 NE2 HIS A 35 -4.956 -11.266 4.263 1.00 0.55 N ATOM 0 H HIS A 35 -7.953 -5.985 5.117 1.00 0.14 H new ATOM 0 HA HIS A 35 -8.221 -8.405 3.637 1.00 0.17 H new ATOM 0 HB2 HIS A 35 -6.074 -7.369 4.235 1.00 0.20 H new ATOM 0 HB3 HIS A 35 -6.405 -7.631 5.936 1.00 0.20 H new ATOM 0 HD2 HIS A 35 -5.420 -9.734 2.766 1.00 0.85 H new ATOM 0 HE1 HIS A 35 -4.882 -12.142 6.211 1.00 1.25 H new ATOM 0 HE2 HIS A 35 -4.516 -11.993 3.699 1.00 0.55 H new ATOM 362 N ASP A 36 -9.335 -8.385 6.670 1.00 0.17 N ATOM 363 CA ASP A 36 -10.177 -9.127 7.596 1.00 0.18 C ATOM 364 C ASP A 36 -11.497 -9.512 6.933 1.00 0.19 C ATOM 365 O ASP A 36 -12.112 -10.519 7.278 1.00 0.21 O ATOM 366 CB ASP A 36 -10.437 -8.300 8.856 1.00 0.20 C ATOM 367 CG ASP A 36 -11.397 -8.978 9.813 1.00 0.65 C ATOM 368 OD1 ASP A 36 -10.975 -9.919 10.521 1.00 1.26 O ATOM 369 OD2 ASP A 36 -12.577 -8.569 9.864 1.00 1.51 O ATOM 0 H ASP A 36 -9.175 -7.412 6.932 1.00 0.17 H new ATOM 0 HA ASP A 36 -9.655 -10.041 7.879 1.00 0.18 H new ATOM 0 HB2 ASP A 36 -9.492 -8.116 9.366 1.00 0.20 H new ATOM 0 HB3 ASP A 36 -10.840 -7.328 8.571 1.00 0.20 H new ATOM 374 N ASP A 37 -11.895 -8.726 5.944 1.00 0.19 N ATOM 375 CA ASP A 37 -13.219 -8.847 5.336 1.00 0.24 C ATOM 376 C ASP A 37 -13.249 -8.072 4.024 1.00 0.23 C ATOM 377 O ASP A 37 -13.567 -6.889 3.995 1.00 0.25 O ATOM 378 CB ASP A 37 -14.293 -8.314 6.291 1.00 0.31 C ATOM 379 CG ASP A 37 -15.696 -8.432 5.729 1.00 0.53 C ATOM 380 OD1 ASP A 37 -16.160 -7.484 5.064 1.00 1.18 O ATOM 381 OD2 ASP A 37 -16.352 -9.467 5.967 1.00 1.28 O ATOM 0 H ASP A 37 -11.316 -7.990 5.540 1.00 0.19 H new ATOM 0 HA ASP A 37 -13.426 -9.898 5.137 1.00 0.24 H new ATOM 0 HB2 ASP A 37 -14.238 -8.860 7.233 1.00 0.31 H new ATOM 0 HB3 ASP A 37 -14.084 -7.268 6.516 1.00 0.31 H new ATOM 386 N PRO A 38 -12.880 -8.721 2.915 1.00 0.23 N ATOM 387 CA PRO A 38 -12.730 -8.055 1.612 1.00 0.25 C ATOM 388 C PRO A 38 -14.054 -7.573 1.015 1.00 0.29 C ATOM 389 O PRO A 38 -14.076 -6.978 -0.062 1.00 0.34 O ATOM 390 CB PRO A 38 -12.100 -9.141 0.728 1.00 0.28 C ATOM 391 CG PRO A 38 -11.575 -10.155 1.688 1.00 0.28 C ATOM 392 CD PRO A 38 -12.536 -10.143 2.833 1.00 0.26 C ATOM 0 HA PRO A 38 -12.132 -7.148 1.698 1.00 0.25 H new ATOM 0 HB2 PRO A 38 -12.836 -9.578 0.053 1.00 0.28 H new ATOM 0 HB3 PRO A 38 -11.302 -8.733 0.108 1.00 0.28 H new ATOM 0 HG2 PRO A 38 -11.522 -11.142 1.229 1.00 0.28 H new ATOM 0 HG3 PRO A 38 -10.567 -9.902 2.017 1.00 0.28 H new ATOM 0 HD2 PRO A 38 -13.410 -10.765 2.641 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -12.081 -10.508 3.754 1.00 0.26 H new ATOM 400 N SER A 39 -15.149 -7.811 1.724 1.00 0.28 N ATOM 401 CA SER A 39 -16.466 -7.392 1.268 1.00 0.33 C ATOM 402 C SER A 39 -16.664 -5.885 1.463 1.00 0.36 C ATOM 403 O SER A 39 -17.630 -5.307 0.966 1.00 0.59 O ATOM 404 CB SER A 39 -17.548 -8.177 2.014 1.00 0.34 C ATOM 405 OG SER A 39 -18.842 -7.878 1.518 1.00 1.19 O ATOM 0 H SER A 39 -15.150 -8.295 2.622 1.00 0.28 H new ATOM 0 HA SER A 39 -16.545 -7.602 0.201 1.00 0.33 H new ATOM 0 HB2 SER A 39 -17.357 -9.246 1.915 1.00 0.34 H new ATOM 0 HB3 SER A 39 -17.502 -7.942 3.077 1.00 0.34 H new ATOM 0 HG SER A 39 -18.869 -6.946 1.215 1.00 1.19 H new ATOM 411 N GLN A 40 -15.751 -5.255 2.194 1.00 0.22 N ATOM 412 CA GLN A 40 -15.827 -3.819 2.449 1.00 0.21 C ATOM 413 C GLN A 40 -14.669 -3.067 1.802 1.00 0.16 C ATOM 414 O GLN A 40 -14.571 -1.853 1.908 1.00 0.16 O ATOM 415 CB GLN A 40 -15.832 -3.561 3.943 1.00 0.23 C ATOM 416 CG GLN A 40 -14.832 -4.420 4.675 1.00 0.21 C ATOM 417 CD GLN A 40 -14.883 -4.226 6.151 1.00 0.67 C ATOM 418 OE1 GLN A 40 -14.294 -3.313 6.723 1.00 1.09 O ATOM 419 NE2 GLN A 40 -15.540 -5.151 6.755 1.00 0.97 N ATOM 0 H GLN A 40 -14.948 -5.716 2.622 1.00 0.22 H new ATOM 0 HA GLN A 40 -16.753 -3.452 2.006 1.00 0.21 H new ATOM 0 HB2 GLN A 40 -15.610 -2.510 4.129 1.00 0.23 H new ATOM 0 HB3 GLN A 40 -16.830 -3.751 4.339 1.00 0.23 H new ATOM 0 HG2 GLN A 40 -15.020 -5.468 4.443 1.00 0.21 H new ATOM 0 HG3 GLN A 40 -13.829 -4.189 4.316 1.00 0.21 H new ATOM 0 HE21 GLN A 40 -16.006 -5.880 6.216 1.00 0.97 H new ATOM 0 HE22 GLN A 40 -15.595 -5.156 7.774 1.00 0.97 H new ATOM 428 N SER A 41 -13.810 -3.815 1.138 1.00 0.15 N ATOM 429 CA SER A 41 -12.634 -3.309 0.456 1.00 0.13 C ATOM 430 C SER A 41 -12.926 -2.066 -0.382 1.00 0.11 C ATOM 431 O SER A 41 -12.230 -1.066 -0.253 1.00 0.11 O ATOM 432 CB SER A 41 -12.075 -4.425 -0.423 1.00 0.18 C ATOM 433 OG SER A 41 -13.043 -4.884 -1.352 1.00 0.82 O ATOM 0 H SER A 41 -13.915 -4.826 1.055 1.00 0.15 H new ATOM 0 HA SER A 41 -11.905 -3.004 1.207 1.00 0.13 H new ATOM 0 HB2 SER A 41 -11.197 -4.064 -0.958 1.00 0.18 H new ATOM 0 HB3 SER A 41 -11.747 -5.255 0.204 1.00 0.18 H new ATOM 0 HG SER A 41 -13.666 -5.492 -0.902 1.00 0.82 H new ATOM 439 N ALA A 42 -13.954 -2.125 -1.222 1.00 0.13 N ATOM 440 CA ALA A 42 -14.313 -0.997 -2.081 1.00 0.13 C ATOM 441 C ALA A 42 -14.698 0.219 -1.247 1.00 0.12 C ATOM 442 O ALA A 42 -14.331 1.350 -1.563 1.00 0.12 O ATOM 443 CB ALA A 42 -15.453 -1.379 -3.010 1.00 0.18 C ATOM 0 H ALA A 42 -14.555 -2.942 -1.328 1.00 0.13 H new ATOM 0 HA ALA A 42 -13.442 -0.739 -2.683 1.00 0.13 H new ATOM 0 HB1 ALA A 42 -15.708 -0.528 -3.642 1.00 0.18 H new ATOM 0 HB2 ALA A 42 -15.147 -2.217 -3.636 1.00 0.18 H new ATOM 0 HB3 ALA A 42 -16.323 -1.666 -2.419 1.00 0.18 H new ATOM 449 N ASN A 43 -15.418 -0.038 -0.167 1.00 0.12 N ATOM 450 CA ASN A 43 -15.843 1.005 0.766 1.00 0.13 C ATOM 451 C ASN A 43 -14.635 1.586 1.459 1.00 0.10 C ATOM 452 O ASN A 43 -14.523 2.787 1.684 1.00 0.11 O ATOM 453 CB ASN A 43 -16.749 0.412 1.844 1.00 0.16 C ATOM 454 CG ASN A 43 -17.978 -0.257 1.284 1.00 0.18 C ATOM 455 OD1 ASN A 43 -19.009 0.378 1.063 1.00 0.20 O ATOM 456 ND2 ASN A 43 -17.875 -1.554 1.070 1.00 0.20 N ATOM 0 H ASN A 43 -15.727 -0.975 0.092 1.00 0.12 H new ATOM 0 HA ASN A 43 -16.376 1.771 0.203 1.00 0.13 H new ATOM 0 HB2 ASN A 43 -16.182 -0.314 2.427 1.00 0.16 H new ATOM 0 HB3 ASN A 43 -17.054 1.203 2.529 1.00 0.16 H new ATOM 0 HD21 ASN A 43 -18.672 -2.076 0.705 1.00 0.20 H new ATOM 0 HD22 ASN A 43 -16.998 -2.036 1.269 1.00 0.20 H new ATOM 463 N LEU A 44 -13.744 0.688 1.799 1.00 0.09 N ATOM 464 CA LEU A 44 -12.586 1.001 2.590 1.00 0.08 C ATOM 465 C LEU A 44 -11.619 1.826 1.775 1.00 0.07 C ATOM 466 O LEU A 44 -11.064 2.829 2.223 1.00 0.08 O ATOM 467 CB LEU A 44 -11.944 -0.302 3.040 1.00 0.08 C ATOM 468 CG LEU A 44 -12.266 -0.734 4.464 1.00 0.10 C ATOM 469 CD1 LEU A 44 -13.529 -0.067 4.989 1.00 0.12 C ATOM 470 CD2 LEU A 44 -12.418 -2.230 4.482 1.00 0.12 C ATOM 0 H LEU A 44 -13.806 -0.294 1.529 1.00 0.09 H new ATOM 0 HA LEU A 44 -12.869 1.584 3.466 1.00 0.08 H new ATOM 0 HB2 LEU A 44 -12.256 -1.094 2.359 1.00 0.08 H new ATOM 0 HB3 LEU A 44 -10.862 -0.206 2.944 1.00 0.08 H new ATOM 0 HG LEU A 44 -11.451 -0.425 5.119 1.00 0.10 H new ATOM 0 HD11 LEU A 44 -13.722 -0.403 6.008 1.00 0.12 H new ATOM 0 HD12 LEU A 44 -13.398 1.015 4.983 1.00 0.12 H new ATOM 0 HD13 LEU A 44 -14.373 -0.334 4.353 1.00 0.12 H new ATOM 0 HD21 LEU A 44 -12.649 -2.560 5.495 1.00 0.12 H new ATOM 0 HD22 LEU A 44 -13.227 -2.522 3.812 1.00 0.12 H new ATOM 0 HD23 LEU A 44 -11.488 -2.694 4.153 1.00 0.12 H new ATOM 482 N LEU A 45 -11.444 1.349 0.566 1.00 0.07 N ATOM 483 CA LEU A 45 -10.672 1.998 -0.466 1.00 0.07 C ATOM 484 C LEU A 45 -11.250 3.392 -0.704 1.00 0.07 C ATOM 485 O LEU A 45 -10.526 4.373 -0.786 1.00 0.08 O ATOM 486 CB LEU A 45 -10.815 1.100 -1.687 1.00 0.07 C ATOM 487 CG LEU A 45 -9.933 1.343 -2.913 1.00 0.08 C ATOM 488 CD1 LEU A 45 -10.799 1.235 -4.139 1.00 0.08 C ATOM 489 CD2 LEU A 45 -9.176 2.664 -2.873 1.00 0.08 C ATOM 0 H LEU A 45 -11.851 0.464 0.263 1.00 0.07 H new ATOM 0 HA LEU A 45 -9.620 2.131 -0.213 1.00 0.07 H new ATOM 0 HB2 LEU A 45 -10.642 0.075 -1.359 1.00 0.07 H new ATOM 0 HB3 LEU A 45 -11.853 1.159 -2.015 1.00 0.07 H new ATOM 0 HG LEU A 45 -9.152 0.583 -2.929 1.00 0.08 H new ATOM 0 HD11 LEU A 45 -10.193 1.405 -5.029 1.00 0.08 H new ATOM 0 HD12 LEU A 45 -11.241 0.240 -4.186 1.00 0.08 H new ATOM 0 HD13 LEU A 45 -11.591 1.982 -4.092 1.00 0.08 H new ATOM 0 HD21 LEU A 45 -8.573 2.765 -3.775 1.00 0.08 H new ATOM 0 HD22 LEU A 45 -9.886 3.489 -2.817 1.00 0.08 H new ATOM 0 HD23 LEU A 45 -8.526 2.685 -1.998 1.00 0.08 H new ATOM 501 N ALA A 46 -12.570 3.458 -0.791 1.00 0.08 N ATOM 502 CA ALA A 46 -13.289 4.716 -0.909 1.00 0.09 C ATOM 503 C ALA A 46 -12.911 5.703 0.187 1.00 0.09 C ATOM 504 O ALA A 46 -12.532 6.820 -0.102 1.00 0.11 O ATOM 505 CB ALA A 46 -14.766 4.430 -0.858 1.00 0.10 C ATOM 0 H ALA A 46 -13.174 2.636 -0.782 1.00 0.08 H new ATOM 0 HA ALA A 46 -13.018 5.179 -1.858 1.00 0.09 H new ATOM 0 HB1 ALA A 46 -15.321 5.364 -0.945 1.00 0.10 H new ATOM 0 HB2 ALA A 46 -15.037 3.769 -1.681 1.00 0.10 H new ATOM 0 HB3 ALA A 46 -15.011 3.950 0.089 1.00 0.10 H new ATOM 511 N GLU A 47 -13.013 5.279 1.440 1.00 0.09 N ATOM 512 CA GLU A 47 -12.673 6.106 2.577 1.00 0.10 C ATOM 513 C GLU A 47 -11.196 6.436 2.566 1.00 0.09 C ATOM 514 O GLU A 47 -10.783 7.440 3.119 1.00 0.09 O ATOM 515 CB GLU A 47 -13.059 5.410 3.877 1.00 0.11 C ATOM 516 CG GLU A 47 -14.529 5.046 3.935 1.00 0.16 C ATOM 517 CD GLU A 47 -15.131 5.279 5.301 1.00 0.31 C ATOM 518 OE1 GLU A 47 -14.964 4.414 6.183 1.00 1.13 O ATOM 519 OE2 GLU A 47 -15.785 6.328 5.494 1.00 1.19 O ATOM 0 H GLU A 47 -13.337 4.345 1.691 1.00 0.09 H new ATOM 0 HA GLU A 47 -13.234 7.038 2.509 1.00 0.10 H new ATOM 0 HB2 GLU A 47 -12.461 4.506 3.991 1.00 0.11 H new ATOM 0 HB3 GLU A 47 -12.817 6.060 4.718 1.00 0.11 H new ATOM 0 HG2 GLU A 47 -15.075 5.633 3.196 1.00 0.16 H new ATOM 0 HG3 GLU A 47 -14.651 3.998 3.662 1.00 0.16 H new ATOM 526 N ALA A 48 -10.407 5.566 1.954 1.00 0.08 N ATOM 527 CA ALA A 48 -8.997 5.835 1.724 1.00 0.08 C ATOM 528 C ALA A 48 -8.846 6.959 0.704 1.00 0.08 C ATOM 529 O ALA A 48 -8.068 7.891 0.900 1.00 0.08 O ATOM 530 CB ALA A 48 -8.301 4.573 1.239 1.00 0.08 C ATOM 0 H ALA A 48 -10.723 4.661 1.606 1.00 0.08 H new ATOM 0 HA ALA A 48 -8.531 6.148 2.658 1.00 0.08 H new ATOM 0 HB1 ALA A 48 -7.245 4.782 1.069 1.00 0.08 H new ATOM 0 HB2 ALA A 48 -8.399 3.791 1.992 1.00 0.08 H new ATOM 0 HB3 ALA A 48 -8.759 4.240 0.308 1.00 0.08 H new ATOM 536 N LYS A 49 -9.640 6.878 -0.361 1.00 0.08 N ATOM 537 CA LYS A 49 -9.637 7.868 -1.436 1.00 0.09 C ATOM 538 C LYS A 49 -10.132 9.181 -0.874 1.00 0.10 C ATOM 539 O LYS A 49 -9.536 10.244 -1.032 1.00 0.13 O ATOM 540 CB LYS A 49 -10.596 7.422 -2.546 1.00 0.09 C ATOM 541 CG LYS A 49 -10.192 6.170 -3.294 1.00 0.09 C ATOM 542 CD LYS A 49 -11.433 5.394 -3.706 1.00 0.09 C ATOM 543 CE LYS A 49 -11.239 4.652 -5.007 1.00 0.10 C ATOM 544 NZ LYS A 49 -12.518 4.104 -5.536 1.00 0.71 N ATOM 0 H LYS A 49 -10.307 6.120 -0.504 1.00 0.08 H new ATOM 0 HA LYS A 49 -8.630 7.973 -1.840 1.00 0.09 H new ATOM 0 HB2 LYS A 49 -11.581 7.260 -2.108 1.00 0.09 H new ATOM 0 HB3 LYS A 49 -10.697 8.236 -3.264 1.00 0.09 H new ATOM 0 HG2 LYS A 49 -9.608 6.434 -4.175 1.00 0.09 H new ATOM 0 HG3 LYS A 49 -9.555 5.548 -2.664 1.00 0.09 H new ATOM 0 HD2 LYS A 49 -11.692 4.684 -2.921 1.00 0.09 H new ATOM 0 HD3 LYS A 49 -12.273 6.082 -3.804 1.00 0.09 H new ATOM 0 HE2 LYS A 49 -10.800 5.324 -5.745 1.00 0.10 H new ATOM 0 HE3 LYS A 49 -10.531 3.837 -4.857 1.00 0.10 H new ATOM 0 HZ1 LYS A 49 -12.329 3.546 -6.393 1.00 0.71 H new ATOM 0 HZ2 LYS A 49 -12.959 3.496 -4.817 1.00 0.71 H new ATOM 0 HZ3 LYS A 49 -13.162 4.887 -5.768 1.00 0.71 H new ATOM 558 N LYS A 50 -11.239 9.036 -0.192 1.00 0.11 N ATOM 559 CA LYS A 50 -11.932 10.089 0.493 1.00 0.12 C ATOM 560 C LYS A 50 -11.050 10.728 1.555 1.00 0.12 C ATOM 561 O LYS A 50 -11.069 11.938 1.736 1.00 0.15 O ATOM 562 CB LYS A 50 -13.181 9.458 1.095 1.00 0.14 C ATOM 563 CG LYS A 50 -13.632 10.101 2.382 1.00 0.17 C ATOM 564 CD LYS A 50 -14.752 9.312 3.037 1.00 0.27 C ATOM 565 CE LYS A 50 -14.858 9.639 4.510 1.00 1.06 C ATOM 566 NZ LYS A 50 -16.034 8.989 5.143 1.00 1.19 N ATOM 0 H LYS A 50 -11.703 8.132 -0.097 1.00 0.11 H new ATOM 0 HA LYS A 50 -12.201 10.895 -0.189 1.00 0.12 H new ATOM 0 HB2 LYS A 50 -13.991 9.516 0.368 1.00 0.14 H new ATOM 0 HB3 LYS A 50 -12.990 8.400 1.276 1.00 0.14 H new ATOM 0 HG2 LYS A 50 -12.788 10.175 3.068 1.00 0.17 H new ATOM 0 HG3 LYS A 50 -13.970 11.118 2.183 1.00 0.17 H new ATOM 0 HD2 LYS A 50 -15.697 9.537 2.542 1.00 0.27 H new ATOM 0 HD3 LYS A 50 -14.572 8.245 2.910 1.00 0.27 H new ATOM 0 HE2 LYS A 50 -13.949 9.318 5.019 1.00 1.06 H new ATOM 0 HE3 LYS A 50 -14.929 10.719 4.637 1.00 1.06 H new ATOM 0 HZ1 LYS A 50 -16.322 9.534 5.981 1.00 1.19 H new ATOM 0 HZ2 LYS A 50 -16.821 8.957 4.463 1.00 1.19 H new ATOM 0 HZ3 LYS A 50 -15.784 8.021 5.429 1.00 1.19 H new ATOM 580 N LEU A 51 -10.288 9.903 2.248 1.00 0.11 N ATOM 581 CA LEU A 51 -9.325 10.375 3.231 1.00 0.12 C ATOM 582 C LEU A 51 -8.221 11.144 2.566 1.00 0.12 C ATOM 583 O LEU A 51 -7.873 12.250 2.969 1.00 0.13 O ATOM 584 CB LEU A 51 -8.708 9.201 3.944 1.00 0.11 C ATOM 585 CG LEU A 51 -7.958 9.538 5.212 1.00 0.12 C ATOM 586 CD1 LEU A 51 -8.821 10.391 6.120 1.00 0.15 C ATOM 587 CD2 LEU A 51 -7.528 8.250 5.881 1.00 0.12 C ATOM 0 H LEU A 51 -10.317 8.888 2.147 1.00 0.11 H new ATOM 0 HA LEU A 51 -9.852 11.020 3.934 1.00 0.12 H new ATOM 0 HB2 LEU A 51 -9.497 8.488 4.186 1.00 0.11 H new ATOM 0 HB3 LEU A 51 -8.024 8.699 3.259 1.00 0.11 H new ATOM 0 HG LEU A 51 -7.066 10.121 4.982 1.00 0.12 H new ATOM 0 HD11 LEU A 51 -8.269 10.627 7.030 1.00 0.15 H new ATOM 0 HD12 LEU A 51 -9.087 11.315 5.607 1.00 0.15 H new ATOM 0 HD13 LEU A 51 -9.729 9.845 6.377 1.00 0.15 H new ATOM 0 HD21 LEU A 51 -6.985 8.480 6.798 1.00 0.12 H new ATOM 0 HD22 LEU A 51 -8.408 7.653 6.120 1.00 0.12 H new ATOM 0 HD23 LEU A 51 -6.881 7.689 5.207 1.00 0.12 H new ATOM 599 N ASN A 52 -7.669 10.520 1.550 1.00 0.11 N ATOM 600 CA ASN A 52 -6.637 11.130 0.723 1.00 0.11 C ATOM 601 C ASN A 52 -7.086 12.502 0.273 1.00 0.13 C ATOM 602 O ASN A 52 -6.302 13.430 0.216 1.00 0.15 O ATOM 603 CB ASN A 52 -6.346 10.237 -0.483 1.00 0.12 C ATOM 604 CG ASN A 52 -5.653 10.947 -1.625 1.00 0.16 C ATOM 605 OD1 ASN A 52 -6.295 11.448 -2.545 1.00 0.20 O ATOM 606 ND2 ASN A 52 -4.340 10.998 -1.574 1.00 0.19 N ATOM 0 H ASN A 52 -7.920 9.572 1.268 1.00 0.11 H new ATOM 0 HA ASN A 52 -5.722 11.237 1.305 1.00 0.11 H new ATOM 0 HB2 ASN A 52 -5.727 9.400 -0.161 1.00 0.12 H new ATOM 0 HB3 ASN A 52 -7.284 9.818 -0.846 1.00 0.12 H new ATOM 0 HD21 ASN A 52 -3.819 11.466 -2.315 1.00 0.19 H new ATOM 0 HD22 ASN A 52 -3.843 10.570 -0.793 1.00 0.19 H new ATOM 613 N ASP A 53 -8.371 12.595 -0.005 1.00 0.14 N ATOM 614 CA ASP A 53 -9.018 13.827 -0.438 1.00 0.17 C ATOM 615 C ASP A 53 -9.260 14.748 0.743 1.00 0.19 C ATOM 616 O ASP A 53 -9.133 15.970 0.643 1.00 0.22 O ATOM 617 CB ASP A 53 -10.354 13.498 -1.117 1.00 0.17 C ATOM 618 CG ASP A 53 -11.153 14.737 -1.473 1.00 0.71 C ATOM 619 OD1 ASP A 53 -10.894 15.336 -2.539 1.00 1.34 O ATOM 620 OD2 ASP A 53 -12.051 15.114 -0.691 1.00 1.53 O ATOM 0 H ASP A 53 -9.011 11.804 0.064 1.00 0.14 H new ATOM 0 HA ASP A 53 -8.362 14.333 -1.146 1.00 0.17 H new ATOM 0 HB2 ASP A 53 -10.164 12.921 -2.022 1.00 0.17 H new ATOM 0 HB3 ASP A 53 -10.947 12.867 -0.455 1.00 0.17 H new ATOM 625 N ALA A 54 -9.604 14.134 1.860 1.00 0.18 N ATOM 626 CA ALA A 54 -10.004 14.843 3.055 1.00 0.21 C ATOM 627 C ALA A 54 -8.854 15.643 3.610 1.00 0.24 C ATOM 628 O ALA A 54 -9.018 16.786 4.034 1.00 0.28 O ATOM 629 CB ALA A 54 -10.483 13.852 4.097 1.00 0.20 C ATOM 0 H ALA A 54 -9.613 13.119 1.961 1.00 0.18 H new ATOM 0 HA ALA A 54 -10.812 15.528 2.799 1.00 0.21 H new ATOM 0 HB1 ALA A 54 -10.784 14.388 4.997 1.00 0.20 H new ATOM 0 HB2 ALA A 54 -11.334 13.294 3.705 1.00 0.20 H new ATOM 0 HB3 ALA A 54 -9.676 13.160 4.339 1.00 0.20 H new ATOM 635 N GLN A 55 -7.686 15.033 3.608 1.00 0.22 N ATOM 636 CA GLN A 55 -6.523 15.694 4.186 1.00 0.25 C ATOM 637 C GLN A 55 -5.573 16.244 3.127 1.00 0.25 C ATOM 638 O GLN A 55 -4.841 17.184 3.415 1.00 0.28 O ATOM 639 CB GLN A 55 -5.774 14.730 5.098 1.00 0.25 C ATOM 640 CG GLN A 55 -5.573 13.360 4.486 1.00 0.20 C ATOM 641 CD GLN A 55 -4.544 12.548 5.243 1.00 0.19 C ATOM 642 OE1 GLN A 55 -3.356 12.624 4.957 1.00 0.22 O ATOM 643 NE2 GLN A 55 -4.995 11.756 6.202 1.00 0.17 N ATOM 0 H GLN A 55 -7.513 14.104 3.224 1.00 0.22 H new ATOM 0 HA GLN A 55 -6.893 16.542 4.762 1.00 0.25 H new ATOM 0 HB2 GLN A 55 -4.802 15.156 5.345 1.00 0.25 H new ATOM 0 HB3 GLN A 55 -6.323 14.625 6.034 1.00 0.25 H new ATOM 0 HG2 GLN A 55 -6.522 12.824 4.476 1.00 0.20 H new ATOM 0 HG3 GLN A 55 -5.258 13.469 3.448 1.00 0.20 H new ATOM 0 HE21 GLN A 55 -5.993 11.723 6.408 1.00 0.17 H new ATOM 0 HE22 GLN A 55 -4.344 11.179 6.735 1.00 0.17 H new ATOM 652 N ALA A 56 -5.625 15.661 1.918 1.00 0.24 N ATOM 653 CA ALA A 56 -4.771 16.013 0.766 1.00 0.25 C ATOM 654 C ALA A 56 -3.932 17.274 0.932 1.00 0.31 C ATOM 655 O ALA A 56 -4.315 18.371 0.522 1.00 0.35 O ATOM 656 CB ALA A 56 -5.606 16.086 -0.494 1.00 0.26 C ATOM 0 H ALA A 56 -6.281 14.909 1.707 1.00 0.24 H new ATOM 0 HA ALA A 56 -4.039 15.208 0.695 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.968 16.346 -1.339 1.00 0.26 H new ATOM 0 HB2 ALA A 56 -6.074 15.119 -0.677 1.00 0.26 H new ATOM 0 HB3 ALA A 56 -6.378 16.846 -0.375 1.00 0.26 H new ATOM 662 N PRO A 57 -2.772 17.095 1.558 1.00 0.35 N ATOM 663 CA PRO A 57 -1.763 18.136 1.722 1.00 0.42 C ATOM 664 C PRO A 57 -0.979 18.375 0.436 1.00 0.58 C ATOM 665 O PRO A 57 -0.234 17.505 -0.028 1.00 0.80 O ATOM 666 CB PRO A 57 -0.852 17.565 2.808 1.00 0.47 C ATOM 667 CG PRO A 57 -0.977 16.085 2.668 1.00 0.46 C ATOM 668 CD PRO A 57 -2.377 15.831 2.183 1.00 0.39 C ATOM 0 HA PRO A 57 -2.198 19.103 1.977 1.00 0.42 H new ATOM 0 HB2 PRO A 57 0.179 17.890 2.671 1.00 0.47 H new ATOM 0 HB3 PRO A 57 -1.162 17.897 3.799 1.00 0.47 H new ATOM 0 HG2 PRO A 57 -0.243 15.697 1.962 1.00 0.46 H new ATOM 0 HG3 PRO A 57 -0.798 15.587 3.621 1.00 0.46 H new ATOM 0 HD2 PRO A 57 -2.409 15.007 1.471 1.00 0.39 H new ATOM 0 HD3 PRO A 57 -3.042 15.568 3.005 1.00 0.39 H new ATOM 676 N LYS A 58 -1.157 19.545 -0.150 1.00 0.81 N ATOM 677 CA LYS A 58 -0.489 19.876 -1.397 1.00 1.03 C ATOM 678 C LYS A 58 0.505 21.008 -1.181 1.00 1.48 C ATOM 679 O LYS A 58 0.201 22.153 -1.566 1.00 1.97 O ATOM 680 CB LYS A 58 -1.523 20.263 -2.457 1.00 1.60 C ATOM 681 CG LYS A 58 -2.536 19.162 -2.742 1.00 2.34 C ATOM 682 CD LYS A 58 -3.572 19.592 -3.767 1.00 3.15 C ATOM 683 CE LYS A 58 -4.360 20.805 -3.299 1.00 3.80 C ATOM 684 NZ LYS A 58 -5.471 21.135 -4.226 1.00 4.55 N ATOM 685 OXT LYS A 58 1.575 20.753 -0.596 1.00 2.24 O ATOM 0 H LYS A 58 -1.758 20.283 0.217 1.00 0.81 H new ATOM 0 HA LYS A 58 0.060 19.001 -1.747 1.00 1.03 H new ATOM 0 HB2 LYS A 58 -2.052 21.158 -2.129 1.00 1.60 H new ATOM 0 HB3 LYS A 58 -1.006 20.520 -3.382 1.00 1.60 H new ATOM 0 HG2 LYS A 58 -2.015 18.275 -3.103 1.00 2.34 H new ATOM 0 HG3 LYS A 58 -3.037 18.882 -1.815 1.00 2.34 H new ATOM 0 HD2 LYS A 58 -3.076 19.822 -4.710 1.00 3.15 H new ATOM 0 HD3 LYS A 58 -4.257 18.766 -3.960 1.00 3.15 H new ATOM 0 HE2 LYS A 58 -4.762 20.615 -2.304 1.00 3.80 H new ATOM 0 HE3 LYS A 58 -3.691 21.662 -3.214 1.00 3.80 H new ATOM 0 HZ1 LYS A 58 -5.983 21.968 -3.871 1.00 4.55 H new ATOM 0 HZ2 LYS A 58 -5.086 21.342 -5.170 1.00 4.55 H new ATOM 0 HZ3 LYS A 58 -6.123 20.327 -4.287 1.00 4.55 H new TER 699 LYS A 58 ATOM 700 N ASP B 13 11.070 6.722 -11.938 1.00 1.37 N ATOM 701 CA ASP B 13 9.895 7.586 -12.193 1.00 0.51 C ATOM 702 C ASP B 13 8.644 6.750 -12.410 1.00 0.38 C ATOM 703 O ASP B 13 8.402 6.258 -13.511 1.00 0.51 O ATOM 704 CB ASP B 13 10.143 8.467 -13.416 1.00 1.11 C ATOM 705 CG ASP B 13 11.244 9.475 -13.186 1.00 1.60 C ATOM 706 OD1 ASP B 13 12.392 9.059 -12.928 1.00 2.19 O ATOM 707 OD2 ASP B 13 10.971 10.689 -13.268 1.00 2.32 O ATOM 0 HA ASP B 13 9.744 8.218 -11.318 1.00 0.51 H new ATOM 0 HB2 ASP B 13 10.402 7.838 -14.267 1.00 1.11 H new ATOM 0 HB3 ASP B 13 9.223 8.991 -13.676 1.00 1.11 H new ATOM 714 N GLY B 14 7.858 6.585 -11.350 1.00 0.21 N ATOM 715 CA GLY B 14 6.616 5.836 -11.443 1.00 0.21 C ATOM 716 C GLY B 14 6.797 4.389 -11.873 1.00 0.19 C ATOM 717 O GLY B 14 6.225 3.966 -12.875 1.00 0.28 O ATOM 0 H GLY B 14 8.060 6.959 -10.423 1.00 0.21 H new ATOM 0 HA2 GLY B 14 6.118 5.857 -10.474 1.00 0.21 H new ATOM 0 HA3 GLY B 14 5.955 6.335 -12.152 1.00 0.21 H new ATOM 721 N GLU B 15 7.600 3.629 -11.135 1.00 0.15 N ATOM 722 CA GLU B 15 7.703 2.192 -11.378 1.00 0.15 C ATOM 723 C GLU B 15 6.790 1.454 -10.407 1.00 0.14 C ATOM 724 O GLU B 15 7.109 1.334 -9.229 1.00 0.22 O ATOM 725 CB GLU B 15 9.142 1.694 -11.194 1.00 0.18 C ATOM 726 CG GLU B 15 10.212 2.693 -11.606 1.00 0.86 C ATOM 727 CD GLU B 15 11.608 2.119 -11.500 1.00 1.08 C ATOM 728 OE1 GLU B 15 12.022 1.386 -12.420 1.00 1.76 O ATOM 729 OE2 GLU B 15 12.300 2.392 -10.493 1.00 1.45 O ATOM 0 H GLU B 15 8.182 3.977 -10.373 1.00 0.15 H new ATOM 0 HA GLU B 15 7.404 1.997 -12.408 1.00 0.15 H new ATOM 0 HB2 GLU B 15 9.291 1.432 -10.147 1.00 0.18 H new ATOM 0 HB3 GLU B 15 9.274 0.780 -11.773 1.00 0.18 H new ATOM 0 HG2 GLU B 15 10.031 3.013 -12.632 1.00 0.86 H new ATOM 0 HG3 GLU B 15 10.138 3.580 -10.977 1.00 0.86 H new ATOM 736 N ILE B 16 5.654 0.976 -10.883 1.00 0.12 N ATOM 737 CA ILE B 16 4.692 0.314 -10.011 1.00 0.11 C ATOM 738 C ILE B 16 5.205 -1.034 -9.511 1.00 0.12 C ATOM 739 O ILE B 16 5.847 -1.789 -10.245 1.00 0.16 O ATOM 740 CB ILE B 16 3.329 0.113 -10.704 1.00 0.11 C ATOM 741 CG1 ILE B 16 2.499 1.402 -10.637 1.00 0.11 C ATOM 742 CG2 ILE B 16 2.579 -1.036 -10.049 1.00 0.12 C ATOM 743 CD1 ILE B 16 1.748 1.576 -9.337 1.00 0.11 C ATOM 0 H ILE B 16 5.373 1.032 -11.862 1.00 0.12 H new ATOM 0 HA ILE B 16 4.559 0.977 -9.157 1.00 0.11 H new ATOM 0 HB ILE B 16 3.500 -0.131 -11.753 1.00 0.11 H new ATOM 0 HG12 ILE B 16 3.160 2.257 -10.781 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.786 1.407 -11.461 1.00 0.11 H new ATOM 0 HG21 ILE B 16 1.617 -1.172 -10.544 1.00 0.12 H new ATOM 0 HG22 ILE B 16 3.165 -1.951 -10.138 1.00 0.12 H new ATOM 0 HG23 ILE B 16 2.416 -0.810 -8.995 1.00 0.12 H new ATOM 0 HD11 ILE B 16 1.185 2.509 -9.364 1.00 0.11 H new ATOM 0 HD12 ILE B 16 1.061 0.741 -9.199 1.00 0.11 H new ATOM 0 HD13 ILE B 16 2.456 1.604 -8.509 1.00 0.11 H new ATOM 755 N PHE B 17 4.905 -1.317 -8.254 1.00 0.11 N ATOM 756 CA PHE B 17 5.246 -2.579 -7.636 1.00 0.11 C ATOM 757 C PHE B 17 4.094 -3.067 -6.763 1.00 0.11 C ATOM 758 O PHE B 17 3.524 -2.298 -5.990 1.00 0.11 O ATOM 759 CB PHE B 17 6.539 -2.423 -6.839 1.00 0.12 C ATOM 760 CG PHE B 17 6.592 -1.201 -5.961 1.00 0.11 C ATOM 761 CD1 PHE B 17 6.142 -1.233 -4.648 1.00 1.11 C ATOM 762 CD2 PHE B 17 7.128 -0.022 -6.450 1.00 1.09 C ATOM 763 CE1 PHE B 17 6.220 -0.108 -3.847 1.00 1.11 C ATOM 764 CE2 PHE B 17 7.219 1.100 -5.659 1.00 1.10 C ATOM 765 CZ PHE B 17 6.765 1.065 -4.356 1.00 0.10 C ATOM 0 H PHE B 17 4.416 -0.672 -7.634 1.00 0.11 H new ATOM 0 HA PHE B 17 5.412 -3.334 -8.404 1.00 0.11 H new ATOM 0 HB2 PHE B 17 6.675 -3.307 -6.217 1.00 0.12 H new ATOM 0 HB3 PHE B 17 7.377 -2.391 -7.535 1.00 0.12 H new ATOM 0 HD1 PHE B 17 5.727 -2.146 -4.248 1.00 1.11 H new ATOM 0 HD2 PHE B 17 7.481 0.018 -7.470 1.00 1.09 H new ATOM 0 HE1 PHE B 17 5.859 -0.141 -2.830 1.00 1.11 H new ATOM 0 HE2 PHE B 17 7.646 2.008 -6.058 1.00 1.10 H new ATOM 0 HZ PHE B 17 6.833 1.946 -3.734 1.00 0.10 H new ATOM 775 N TYR B 18 3.735 -4.332 -6.910 1.00 0.11 N ATOM 776 CA TYR B 18 2.586 -4.887 -6.215 1.00 0.10 C ATOM 777 C TYR B 18 3.012 -5.722 -5.023 1.00 0.09 C ATOM 778 O TYR B 18 3.976 -6.484 -5.091 1.00 0.09 O ATOM 779 CB TYR B 18 1.741 -5.731 -7.166 1.00 0.12 C ATOM 780 CG TYR B 18 1.037 -4.918 -8.225 1.00 0.09 C ATOM 781 CD1 TYR B 18 -0.090 -4.180 -7.907 1.00 1.17 C ATOM 782 CD2 TYR B 18 1.494 -4.889 -9.534 1.00 1.17 C ATOM 783 CE1 TYR B 18 -0.752 -3.433 -8.859 1.00 1.15 C ATOM 784 CE2 TYR B 18 0.840 -4.143 -10.500 1.00 1.20 C ATOM 785 CZ TYR B 18 -0.284 -3.416 -10.158 1.00 0.12 C ATOM 786 OH TYR B 18 -0.941 -2.675 -11.115 1.00 0.18 O ATOM 0 H TYR B 18 4.226 -4.997 -7.508 1.00 0.11 H new ATOM 0 HA TYR B 18 1.987 -4.053 -5.851 1.00 0.10 H new ATOM 0 HB2 TYR B 18 2.380 -6.469 -7.650 1.00 0.12 H new ATOM 0 HB3 TYR B 18 0.999 -6.282 -6.589 1.00 0.12 H new ATOM 0 HD1 TYR B 18 -0.459 -4.189 -6.892 1.00 1.17 H new ATOM 0 HD2 TYR B 18 2.372 -5.456 -9.804 1.00 1.17 H new ATOM 0 HE1 TYR B 18 -1.630 -2.865 -8.590 1.00 1.15 H new ATOM 0 HE2 TYR B 18 1.207 -4.130 -11.516 1.00 1.20 H new ATOM 0 HH TYR B 18 -0.482 -2.771 -11.975 1.00 0.18 H new ATOM 796 N LEU B 19 2.284 -5.570 -3.928 1.00 0.13 N ATOM 797 CA LEU B 19 2.571 -6.300 -2.699 1.00 0.13 C ATOM 798 C LEU B 19 1.338 -7.103 -2.256 1.00 0.21 C ATOM 799 O LEU B 19 0.828 -6.903 -1.156 1.00 0.25 O ATOM 800 CB LEU B 19 2.975 -5.321 -1.577 1.00 0.12 C ATOM 801 CG LEU B 19 4.254 -4.475 -1.804 1.00 0.10 C ATOM 802 CD1 LEU B 19 5.451 -5.379 -2.043 1.00 0.08 C ATOM 803 CD2 LEU B 19 4.086 -3.478 -2.936 1.00 0.11 C ATOM 0 H LEU B 19 1.483 -4.942 -3.864 1.00 0.13 H new ATOM 0 HA LEU B 19 3.396 -6.986 -2.892 1.00 0.13 H new ATOM 0 HB2 LEU B 19 2.143 -4.637 -1.409 1.00 0.12 H new ATOM 0 HB3 LEU B 19 3.107 -5.894 -0.659 1.00 0.12 H new ATOM 0 HG LEU B 19 4.431 -3.895 -0.898 1.00 0.10 H new ATOM 0 HD11 LEU B 19 6.341 -4.770 -2.201 1.00 0.08 H new ATOM 0 HD12 LEU B 19 5.600 -6.022 -1.176 1.00 0.08 H new ATOM 0 HD13 LEU B 19 5.272 -5.995 -2.924 1.00 0.08 H new ATOM 0 HD21 LEU B 19 5.007 -2.908 -3.058 1.00 0.11 H new ATOM 0 HD22 LEU B 19 3.864 -4.011 -3.860 1.00 0.11 H new ATOM 0 HD23 LEU B 19 3.267 -2.798 -2.703 1.00 0.11 H new ATOM 815 N PRO B 20 0.855 -8.041 -3.097 1.00 0.23 N ATOM 816 CA PRO B 20 -0.397 -8.782 -2.842 1.00 0.29 C ATOM 817 C PRO B 20 -0.277 -9.823 -1.742 1.00 0.29 C ATOM 818 O PRO B 20 -1.228 -10.079 -1.005 1.00 0.33 O ATOM 819 CB PRO B 20 -0.656 -9.467 -4.185 1.00 0.33 C ATOM 820 CG PRO B 20 0.711 -9.694 -4.724 1.00 0.29 C ATOM 821 CD PRO B 20 1.469 -8.453 -4.376 1.00 0.23 C ATOM 0 HA PRO B 20 -1.192 -8.119 -2.499 1.00 0.29 H new ATOM 0 HB2 PRO B 20 -1.200 -10.404 -4.060 1.00 0.33 H new ATOM 0 HB3 PRO B 20 -1.251 -8.839 -4.849 1.00 0.33 H new ATOM 0 HG2 PRO B 20 1.171 -10.576 -4.279 1.00 0.29 H new ATOM 0 HG3 PRO B 20 0.690 -9.855 -5.802 1.00 0.29 H new ATOM 0 HD2 PRO B 20 2.536 -8.648 -4.268 1.00 0.23 H new ATOM 0 HD3 PRO B 20 1.361 -7.685 -5.142 1.00 0.23 H new ATOM 829 N ASN B 21 0.894 -10.415 -1.636 1.00 0.27 N ATOM 830 CA ASN B 21 1.109 -11.501 -0.704 1.00 0.28 C ATOM 831 C ASN B 21 1.449 -10.962 0.678 1.00 0.24 C ATOM 832 O ASN B 21 1.403 -11.684 1.674 1.00 0.28 O ATOM 833 CB ASN B 21 2.188 -12.438 -1.260 1.00 0.31 C ATOM 834 CG ASN B 21 3.283 -12.786 -0.278 1.00 0.32 C ATOM 835 OD1 ASN B 21 3.151 -13.702 0.530 1.00 0.41 O ATOM 836 ND2 ASN B 21 4.386 -12.069 -0.369 1.00 0.30 N ATOM 0 H ASN B 21 1.714 -10.161 -2.186 1.00 0.27 H new ATOM 0 HA ASN B 21 0.194 -12.081 -0.588 1.00 0.28 H new ATOM 0 HB2 ASN B 21 1.713 -13.359 -1.596 1.00 0.31 H new ATOM 0 HB3 ASN B 21 2.638 -11.973 -2.137 1.00 0.31 H new ATOM 0 HD21 ASN B 21 5.175 -12.266 0.247 1.00 0.30 H new ATOM 0 HD22 ASN B 21 4.451 -11.317 -1.056 1.00 0.30 H new ATOM 843 N LEU B 22 1.773 -9.682 0.741 1.00 0.19 N ATOM 844 CA LEU B 22 1.992 -9.042 2.015 1.00 0.16 C ATOM 845 C LEU B 22 0.689 -8.683 2.679 1.00 0.20 C ATOM 846 O LEU B 22 -0.237 -8.171 2.052 1.00 0.26 O ATOM 847 CB LEU B 22 2.869 -7.813 1.861 1.00 0.14 C ATOM 848 CG LEU B 22 4.273 -8.150 1.390 1.00 0.13 C ATOM 849 CD1 LEU B 22 5.225 -6.995 1.584 1.00 0.12 C ATOM 850 CD2 LEU B 22 4.758 -9.368 2.129 1.00 0.14 C ATOM 0 H LEU B 22 1.888 -9.075 -0.070 1.00 0.19 H new ATOM 0 HA LEU B 22 2.510 -9.755 2.656 1.00 0.16 H new ATOM 0 HB2 LEU B 22 2.406 -7.128 1.150 1.00 0.14 H new ATOM 0 HB3 LEU B 22 2.926 -7.291 2.816 1.00 0.14 H new ATOM 0 HG LEU B 22 4.240 -8.355 0.320 1.00 0.13 H new ATOM 0 HD11 LEU B 22 6.218 -7.279 1.234 1.00 0.12 H new ATOM 0 HD12 LEU B 22 4.873 -6.134 1.016 1.00 0.12 H new ATOM 0 HD13 LEU B 22 5.273 -6.737 2.642 1.00 0.12 H new ATOM 0 HD21 LEU B 22 5.766 -9.618 1.797 1.00 0.14 H new ATOM 0 HD22 LEU B 22 4.769 -9.164 3.200 1.00 0.14 H new ATOM 0 HD23 LEU B 22 4.091 -10.206 1.926 1.00 0.14 H new ATOM 862 N ASN B 23 0.633 -8.968 3.959 1.00 0.21 N ATOM 863 CA ASN B 23 -0.543 -8.677 4.752 1.00 0.26 C ATOM 864 C ASN B 23 -0.432 -7.261 5.279 1.00 0.20 C ATOM 865 O ASN B 23 0.667 -6.707 5.278 1.00 0.15 O ATOM 866 CB ASN B 23 -0.678 -9.691 5.891 1.00 0.35 C ATOM 867 CG ASN B 23 -0.954 -11.088 5.375 1.00 0.56 C ATOM 868 OD1 ASN B 23 -2.106 -11.490 5.230 1.00 1.19 O ATOM 869 ND2 ASN B 23 0.100 -11.831 5.078 1.00 0.55 N ATOM 0 H ASN B 23 1.394 -9.405 4.479 1.00 0.21 H new ATOM 0 HA ASN B 23 -1.441 -8.757 4.139 1.00 0.26 H new ATOM 0 HB2 ASN B 23 0.238 -9.697 6.482 1.00 0.35 H new ATOM 0 HB3 ASN B 23 -1.485 -9.384 6.556 1.00 0.35 H new ATOM 0 HD21 ASN B 23 -0.028 -12.775 4.714 1.00 0.55 H new ATOM 0 HD22 ASN B 23 1.040 -11.459 5.213 1.00 0.55 H new ATOM 876 N PRO B 24 -1.552 -6.640 5.692 1.00 0.25 N ATOM 877 CA PRO B 24 -1.553 -5.271 6.215 1.00 0.22 C ATOM 878 C PRO B 24 -0.368 -4.993 7.135 1.00 0.18 C ATOM 879 O PRO B 24 0.304 -3.978 6.997 1.00 0.19 O ATOM 880 CB PRO B 24 -2.863 -5.205 6.993 1.00 0.27 C ATOM 881 CG PRO B 24 -3.777 -6.121 6.256 1.00 0.33 C ATOM 882 CD PRO B 24 -2.913 -7.211 5.669 1.00 0.37 C ATOM 0 HA PRO B 24 -1.467 -4.528 5.422 1.00 0.22 H new ATOM 0 HB2 PRO B 24 -2.728 -5.525 8.026 1.00 0.27 H new ATOM 0 HB3 PRO B 24 -3.257 -4.189 7.022 1.00 0.27 H new ATOM 0 HG2 PRO B 24 -4.528 -6.540 6.925 1.00 0.33 H new ATOM 0 HG3 PRO B 24 -4.312 -5.586 5.472 1.00 0.33 H new ATOM 0 HD2 PRO B 24 -2.971 -8.127 6.257 1.00 0.37 H new ATOM 0 HD3 PRO B 24 -3.223 -7.463 4.655 1.00 0.37 H new ATOM 890 N ASP B 25 -0.080 -5.942 8.019 1.00 0.20 N ATOM 891 CA ASP B 25 0.965 -5.765 9.030 1.00 0.24 C ATOM 892 C ASP B 25 2.355 -5.878 8.408 1.00 0.23 C ATOM 893 O ASP B 25 3.306 -5.242 8.862 1.00 0.28 O ATOM 894 CB ASP B 25 0.807 -6.785 10.160 1.00 0.34 C ATOM 895 CG ASP B 25 1.836 -6.600 11.261 1.00 0.98 C ATOM 896 OD1 ASP B 25 1.612 -5.763 12.163 1.00 1.49 O ATOM 897 OD2 ASP B 25 2.874 -7.295 11.232 1.00 1.76 O ATOM 0 H ASP B 25 -0.554 -6.844 8.059 1.00 0.20 H new ATOM 0 HA ASP B 25 0.856 -4.764 9.447 1.00 0.24 H new ATOM 0 HB2 ASP B 25 -0.193 -6.700 10.584 1.00 0.34 H new ATOM 0 HB3 ASP B 25 0.895 -7.792 9.751 1.00 0.34 H new ATOM 902 N GLN B 26 2.462 -6.672 7.352 1.00 0.19 N ATOM 903 CA GLN B 26 3.713 -6.846 6.642 1.00 0.20 C ATOM 904 C GLN B 26 4.055 -5.539 5.945 1.00 0.20 C ATOM 905 O GLN B 26 5.174 -5.031 6.018 1.00 0.24 O ATOM 906 CB GLN B 26 3.537 -7.986 5.635 1.00 0.25 C ATOM 907 CG GLN B 26 2.942 -9.247 6.257 1.00 0.31 C ATOM 908 CD GLN B 26 3.798 -9.845 7.359 1.00 0.29 C ATOM 909 OE1 GLN B 26 3.284 -10.411 8.319 1.00 0.48 O ATOM 910 NE2 GLN B 26 5.101 -9.747 7.211 1.00 0.28 N ATOM 0 H GLN B 26 1.685 -7.210 6.968 1.00 0.19 H new ATOM 0 HA GLN B 26 4.528 -7.101 7.319 1.00 0.20 H new ATOM 0 HB2 GLN B 26 2.892 -7.649 4.823 1.00 0.25 H new ATOM 0 HB3 GLN B 26 4.505 -8.227 5.195 1.00 0.25 H new ATOM 0 HG2 GLN B 26 1.957 -9.013 6.661 1.00 0.31 H new ATOM 0 HG3 GLN B 26 2.797 -9.993 5.476 1.00 0.31 H new ATOM 0 HE21 GLN B 26 5.487 -9.268 6.398 1.00 0.28 H new ATOM 0 HE22 GLN B 26 5.725 -10.150 7.910 1.00 0.28 H new ATOM 919 N LEU B 27 3.048 -5.003 5.292 1.00 0.16 N ATOM 920 CA LEU B 27 3.105 -3.690 4.666 1.00 0.17 C ATOM 921 C LEU B 27 3.286 -2.576 5.704 1.00 0.19 C ATOM 922 O LEU B 27 3.882 -1.541 5.403 1.00 0.21 O ATOM 923 CB LEU B 27 1.816 -3.458 3.880 1.00 0.16 C ATOM 924 CG LEU B 27 1.494 -4.533 2.840 1.00 0.14 C ATOM 925 CD1 LEU B 27 0.006 -4.542 2.532 1.00 0.15 C ATOM 926 CD2 LEU B 27 2.297 -4.300 1.570 1.00 0.13 C ATOM 0 H LEU B 27 2.149 -5.471 5.176 1.00 0.16 H new ATOM 0 HA LEU B 27 3.967 -3.663 3.999 1.00 0.17 H new ATOM 0 HB2 LEU B 27 0.986 -3.393 4.583 1.00 0.16 H new ATOM 0 HB3 LEU B 27 1.883 -2.494 3.376 1.00 0.16 H new ATOM 0 HG LEU B 27 1.769 -5.505 3.250 1.00 0.14 H new ATOM 0 HD11 LEU B 27 -0.207 -5.312 1.791 1.00 0.15 H new ATOM 0 HD12 LEU B 27 -0.553 -4.751 3.444 1.00 0.15 H new ATOM 0 HD13 LEU B 27 -0.290 -3.569 2.140 1.00 0.15 H new ATOM 0 HD21 LEU B 27 2.056 -5.073 0.840 1.00 0.13 H new ATOM 0 HD22 LEU B 27 2.049 -3.322 1.157 1.00 0.13 H new ATOM 0 HD23 LEU B 27 3.362 -4.338 1.801 1.00 0.13 H new ATOM 938 N CYS B 28 2.766 -2.793 6.920 1.00 0.20 N ATOM 939 CA CYS B 28 2.856 -1.801 8.001 1.00 0.23 C ATOM 940 C CYS B 28 4.280 -1.312 8.204 1.00 0.23 C ATOM 941 O CYS B 28 4.504 -0.132 8.467 1.00 0.28 O ATOM 942 CB CYS B 28 2.326 -2.359 9.325 1.00 0.25 C ATOM 943 SG CYS B 28 0.510 -2.428 9.450 1.00 0.27 S ATOM 0 H CYS B 28 2.277 -3.649 7.180 1.00 0.20 H new ATOM 0 HA CYS B 28 2.235 -0.960 7.693 1.00 0.23 H new ATOM 0 HB2 CYS B 28 2.725 -3.364 9.466 1.00 0.25 H new ATOM 0 HB3 CYS B 28 2.710 -1.747 10.141 1.00 0.25 H new ATOM 948 N ALA B 29 5.233 -2.217 8.076 1.00 0.22 N ATOM 949 CA ALA B 29 6.631 -1.878 8.261 1.00 0.24 C ATOM 950 C ALA B 29 7.138 -1.034 7.106 1.00 0.21 C ATOM 951 O ALA B 29 7.853 -0.051 7.308 1.00 0.25 O ATOM 952 CB ALA B 29 7.462 -3.139 8.378 1.00 0.26 C ATOM 0 H ALA B 29 5.063 -3.196 7.844 1.00 0.22 H new ATOM 0 HA ALA B 29 6.723 -1.300 9.180 1.00 0.24 H new ATOM 0 HB1 ALA B 29 8.510 -2.873 8.517 1.00 0.26 H new ATOM 0 HB2 ALA B 29 7.120 -3.722 9.233 1.00 0.26 H new ATOM 0 HB3 ALA B 29 7.355 -3.731 7.469 1.00 0.26 H new ATOM 958 N PHE B 30 6.753 -1.419 5.897 1.00 0.18 N ATOM 959 CA PHE B 30 7.264 -0.783 4.696 1.00 0.17 C ATOM 960 C PHE B 30 6.984 0.719 4.666 1.00 0.21 C ATOM 961 O PHE B 30 7.917 1.513 4.647 1.00 0.22 O ATOM 962 CB PHE B 30 6.639 -1.445 3.472 1.00 0.18 C ATOM 963 CG PHE B 30 7.089 -0.846 2.178 1.00 0.16 C ATOM 964 CD1 PHE B 30 8.430 -0.617 1.949 1.00 1.13 C ATOM 965 CD2 PHE B 30 6.177 -0.525 1.187 1.00 1.07 C ATOM 966 CE1 PHE B 30 8.858 -0.081 0.760 1.00 1.13 C ATOM 967 CE2 PHE B 30 6.604 0.017 -0.008 1.00 1.07 C ATOM 968 CZ PHE B 30 7.952 0.237 -0.217 1.00 0.13 C ATOM 0 H PHE B 30 6.086 -2.171 5.724 1.00 0.18 H new ATOM 0 HA PHE B 30 8.347 -0.910 4.690 1.00 0.17 H new ATOM 0 HB2 PHE B 30 6.885 -2.507 3.477 1.00 0.18 H new ATOM 0 HB3 PHE B 30 5.554 -1.369 3.541 1.00 0.18 H new ATOM 0 HD1 PHE B 30 9.152 -0.862 2.714 1.00 1.13 H new ATOM 0 HD2 PHE B 30 5.124 -0.700 1.350 1.00 1.07 H new ATOM 0 HE1 PHE B 30 9.911 0.090 0.594 1.00 1.13 H new ATOM 0 HE2 PHE B 30 5.888 0.268 -0.776 1.00 1.07 H new ATOM 0 HZ PHE B 30 8.291 0.660 -1.151 1.00 0.13 H new ATOM 978 N PHE B 31 5.718 1.116 4.740 1.00 0.26 N ATOM 979 CA PHE B 31 5.380 2.527 4.729 1.00 0.35 C ATOM 980 C PHE B 31 5.750 3.198 6.043 1.00 0.37 C ATOM 981 O PHE B 31 5.808 4.421 6.123 1.00 0.46 O ATOM 982 CB PHE B 31 3.909 2.775 4.371 1.00 0.65 C ATOM 983 CG PHE B 31 2.904 1.869 5.023 1.00 0.23 C ATOM 984 CD1 PHE B 31 2.732 1.862 6.393 1.00 1.13 C ATOM 985 CD2 PHE B 31 2.100 1.053 4.248 1.00 1.16 C ATOM 986 CE1 PHE B 31 1.778 1.056 6.979 1.00 1.45 C ATOM 987 CE2 PHE B 31 1.149 0.240 4.826 1.00 1.05 C ATOM 988 CZ PHE B 31 0.986 0.243 6.193 1.00 0.80 C ATOM 0 H PHE B 31 4.919 0.485 4.807 1.00 0.26 H new ATOM 0 HA PHE B 31 5.977 2.984 3.940 1.00 0.35 H new ATOM 0 HB2 PHE B 31 3.662 3.804 4.632 1.00 0.65 H new ATOM 0 HB3 PHE B 31 3.800 2.685 3.290 1.00 0.65 H new ATOM 0 HD1 PHE B 31 3.351 2.494 7.012 1.00 1.13 H new ATOM 0 HD2 PHE B 31 2.219 1.053 3.175 1.00 1.16 H new ATOM 0 HE1 PHE B 31 1.651 1.061 8.051 1.00 1.45 H new ATOM 0 HE2 PHE B 31 0.534 -0.397 4.208 1.00 1.05 H new ATOM 0 HZ PHE B 31 0.240 -0.390 6.650 1.00 0.80 H new ATOM 998 N HIS B 32 6.026 2.403 7.066 1.00 0.36 N ATOM 999 CA HIS B 32 6.502 2.956 8.325 1.00 0.43 C ATOM 1000 C HIS B 32 7.936 3.424 8.161 1.00 0.40 C ATOM 1001 O HIS B 32 8.271 4.533 8.541 1.00 0.47 O ATOM 1002 CB HIS B 32 6.419 1.923 9.454 1.00 0.47 C ATOM 1003 CG HIS B 32 6.767 2.474 10.805 1.00 0.71 C ATOM 1004 ND1 HIS B 32 5.820 2.931 11.697 1.00 1.37 N ATOM 1005 CD2 HIS B 32 7.963 2.636 11.418 1.00 1.43 C ATOM 1006 CE1 HIS B 32 6.419 3.351 12.795 1.00 1.77 C ATOM 1007 NE2 HIS B 32 7.720 3.183 12.651 1.00 1.70 N ATOM 0 H HIS B 32 5.931 1.388 7.051 1.00 0.36 H new ATOM 0 HA HIS B 32 5.865 3.799 8.592 1.00 0.43 H new ATOM 0 HB2 HIS B 32 5.409 1.515 9.487 1.00 0.47 H new ATOM 0 HB3 HIS B 32 7.090 1.095 9.226 1.00 0.47 H new ATOM 0 HD2 HIS B 32 8.930 2.381 11.011 1.00 1.43 H new ATOM 0 HE1 HIS B 32 5.928 3.763 13.664 1.00 1.77 H new ATOM 0 HE2 HIS B 32 8.429 3.421 13.344 1.00 1.70 H new ATOM 1016 N SER B 33 8.762 2.586 7.551 1.00 0.33 N ATOM 1017 CA SER B 33 10.154 2.931 7.291 1.00 0.33 C ATOM 1018 C SER B 33 10.238 3.991 6.196 1.00 0.28 C ATOM 1019 O SER B 33 11.103 4.849 6.205 1.00 0.30 O ATOM 1020 CB SER B 33 10.938 1.683 6.882 1.00 0.33 C ATOM 1021 OG SER B 33 10.832 0.664 7.865 1.00 0.77 O ATOM 0 H SER B 33 8.491 1.658 7.225 1.00 0.33 H new ATOM 0 HA SER B 33 10.592 3.336 8.203 1.00 0.33 H new ATOM 0 HB2 SER B 33 10.564 1.312 5.928 1.00 0.33 H new ATOM 0 HB3 SER B 33 11.987 1.941 6.734 1.00 0.33 H new ATOM 0 HG SER B 33 9.925 0.292 7.854 1.00 0.77 H new ATOM 1027 N VAL B 34 9.319 3.895 5.258 1.00 0.22 N ATOM 1028 CA VAL B 34 9.269 4.759 4.090 1.00 0.20 C ATOM 1029 C VAL B 34 8.784 6.164 4.446 1.00 0.26 C ATOM 1030 O VAL B 34 9.304 7.149 3.933 1.00 0.27 O ATOM 1031 CB VAL B 34 8.355 4.129 3.013 1.00 0.19 C ATOM 1032 CG1 VAL B 34 7.940 5.118 1.952 1.00 0.18 C ATOM 1033 CG2 VAL B 34 9.033 2.948 2.352 1.00 0.20 C ATOM 0 H VAL B 34 8.571 3.202 5.284 1.00 0.22 H new ATOM 0 HA VAL B 34 10.281 4.854 3.696 1.00 0.20 H new ATOM 0 HB VAL B 34 7.457 3.797 3.534 1.00 0.19 H new ATOM 0 HG11 VAL B 34 7.300 4.622 1.222 1.00 0.18 H new ATOM 0 HG12 VAL B 34 7.394 5.940 2.415 1.00 0.18 H new ATOM 0 HG13 VAL B 34 8.826 5.508 1.451 1.00 0.18 H new ATOM 0 HG21 VAL B 34 8.370 2.523 1.599 1.00 0.20 H new ATOM 0 HG22 VAL B 34 9.957 3.278 1.877 1.00 0.20 H new ATOM 0 HG23 VAL B 34 9.261 2.192 3.103 1.00 0.20 H new ATOM 1043 N HIS B 35 7.790 6.265 5.323 1.00 0.32 N ATOM 1044 CA HIS B 35 7.294 7.575 5.726 1.00 0.41 C ATOM 1045 C HIS B 35 8.200 8.158 6.798 1.00 0.45 C ATOM 1046 O HIS B 35 8.378 9.371 6.885 1.00 0.51 O ATOM 1047 CB HIS B 35 5.856 7.483 6.239 1.00 0.48 C ATOM 1048 CG HIS B 35 5.147 8.805 6.303 1.00 0.66 C ATOM 1049 ND1 HIS B 35 4.246 9.222 5.344 1.00 1.60 N ATOM 1050 CD2 HIS B 35 5.198 9.799 7.221 1.00 0.88 C ATOM 1051 CE1 HIS B 35 3.777 10.411 5.671 1.00 1.50 C ATOM 1052 NE2 HIS B 35 4.337 10.781 6.805 1.00 0.80 N ATOM 0 H HIS B 35 7.320 5.472 5.761 1.00 0.32 H new ATOM 0 HA HIS B 35 7.298 8.231 4.855 1.00 0.41 H new ATOM 0 HB2 HIS B 35 5.292 6.810 5.592 1.00 0.48 H new ATOM 0 HB3 HIS B 35 5.863 7.037 7.234 1.00 0.48 H new ATOM 0 HD2 HIS B 35 5.804 9.815 8.115 1.00 0.88 H new ATOM 0 HE1 HIS B 35 3.057 10.984 5.106 1.00 1.50 H new ATOM 0 HE2 HIS B 35 4.158 11.658 7.295 1.00 0.80 H new ATOM 1061 N ASP B 36 8.765 7.280 7.614 1.00 0.44 N ATOM 1062 CA ASP B 36 9.703 7.695 8.648 1.00 0.50 C ATOM 1063 C ASP B 36 11.046 8.043 8.024 1.00 0.47 C ATOM 1064 O ASP B 36 11.708 8.989 8.449 1.00 0.52 O ATOM 1065 CB ASP B 36 9.874 6.593 9.696 1.00 0.55 C ATOM 1066 CG ASP B 36 10.784 6.994 10.835 1.00 0.79 C ATOM 1067 OD1 ASP B 36 10.653 8.131 11.334 1.00 1.29 O ATOM 1068 OD2 ASP B 36 11.615 6.164 11.256 1.00 1.59 O ATOM 0 H ASP B 36 8.591 6.276 7.580 1.00 0.44 H new ATOM 0 HA ASP B 36 9.304 8.580 9.144 1.00 0.50 H new ATOM 0 HB2 ASP B 36 8.896 6.326 10.097 1.00 0.55 H new ATOM 0 HB3 ASP B 36 10.275 5.701 9.215 1.00 0.55 H new ATOM 1073 N ASP B 37 11.439 7.293 7.002 1.00 0.39 N ATOM 1074 CA ASP B 37 12.679 7.590 6.287 1.00 0.40 C ATOM 1075 C ASP B 37 12.469 7.566 4.779 1.00 0.32 C ATOM 1076 O ASP B 37 12.872 6.622 4.099 1.00 0.29 O ATOM 1077 CB ASP B 37 13.796 6.615 6.676 1.00 0.48 C ATOM 1078 CG ASP B 37 14.449 6.962 7.997 1.00 1.00 C ATOM 1079 OD1 ASP B 37 15.326 7.853 8.013 1.00 1.58 O ATOM 1080 OD2 ASP B 37 14.103 6.341 9.024 1.00 1.55 O ATOM 0 H ASP B 37 10.926 6.484 6.651 1.00 0.39 H new ATOM 0 HA ASP B 37 12.982 8.596 6.578 1.00 0.40 H new ATOM 0 HB2 ASP B 37 13.387 5.606 6.733 1.00 0.48 H new ATOM 0 HB3 ASP B 37 14.554 6.608 5.893 1.00 0.48 H new ATOM 1085 N PRO B 38 11.849 8.624 4.235 1.00 0.34 N ATOM 1086 CA PRO B 38 11.649 8.791 2.785 1.00 0.31 C ATOM 1087 C PRO B 38 12.967 8.829 2.006 1.00 0.30 C ATOM 1088 O PRO B 38 12.975 8.819 0.777 1.00 0.36 O ATOM 1089 CB PRO B 38 10.930 10.144 2.674 1.00 0.42 C ATOM 1090 CG PRO B 38 11.196 10.824 3.975 1.00 0.49 C ATOM 1091 CD PRO B 38 11.253 9.735 4.992 1.00 0.46 C ATOM 0 HA PRO B 38 11.092 7.956 2.360 1.00 0.31 H new ATOM 0 HB2 PRO B 38 11.313 10.728 1.837 1.00 0.42 H new ATOM 0 HB3 PRO B 38 9.861 10.012 2.508 1.00 0.42 H new ATOM 0 HG2 PRO B 38 12.133 11.380 3.943 1.00 0.49 H new ATOM 0 HG3 PRO B 38 10.409 11.540 4.211 1.00 0.49 H new ATOM 0 HD2 PRO B 38 11.863 10.014 5.851 1.00 0.46 H new ATOM 0 HD3 PRO B 38 10.263 9.482 5.372 1.00 0.46 H new ATOM 1099 N SER B 39 14.073 8.873 2.734 1.00 0.29 N ATOM 1100 CA SER B 39 15.401 8.899 2.140 1.00 0.31 C ATOM 1101 C SER B 39 15.706 7.600 1.401 1.00 0.26 C ATOM 1102 O SER B 39 16.487 7.582 0.450 1.00 0.31 O ATOM 1103 CB SER B 39 16.438 9.107 3.239 1.00 0.39 C ATOM 1104 OG SER B 39 15.991 10.064 4.186 1.00 1.45 O ATOM 0 H SER B 39 14.075 8.892 3.754 1.00 0.29 H new ATOM 0 HA SER B 39 15.438 9.717 1.421 1.00 0.31 H new ATOM 0 HB2 SER B 39 16.637 8.160 3.740 1.00 0.39 H new ATOM 0 HB3 SER B 39 17.378 9.438 2.798 1.00 0.39 H new ATOM 0 HG SER B 39 16.672 10.179 4.881 1.00 1.45 H new ATOM 1110 N GLN B 40 15.074 6.521 1.835 1.00 0.21 N ATOM 1111 CA GLN B 40 15.463 5.189 1.400 1.00 0.19 C ATOM 1112 C GLN B 40 14.323 4.391 0.815 1.00 0.15 C ATOM 1113 O GLN B 40 14.360 3.169 0.854 1.00 0.14 O ATOM 1114 CB GLN B 40 16.001 4.409 2.572 1.00 0.22 C ATOM 1115 CG GLN B 40 15.574 4.968 3.910 1.00 0.25 C ATOM 1116 CD GLN B 40 16.591 4.733 4.989 1.00 0.32 C ATOM 1117 OE1 GLN B 40 16.550 3.739 5.712 1.00 0.37 O ATOM 1118 NE2 GLN B 40 17.530 5.647 5.073 1.00 0.35 N ATOM 0 H GLN B 40 14.290 6.541 2.487 1.00 0.21 H new ATOM 0 HA GLN B 40 16.213 5.336 0.623 1.00 0.19 H new ATOM 0 HB2 GLN B 40 15.667 3.374 2.495 1.00 0.22 H new ATOM 0 HB3 GLN B 40 17.090 4.397 2.522 1.00 0.22 H new ATOM 0 HG2 GLN B 40 15.396 6.039 3.811 1.00 0.25 H new ATOM 0 HG3 GLN B 40 14.628 4.513 4.203 1.00 0.25 H new ATOM 0 HE21 GLN B 40 17.515 6.452 4.447 1.00 0.35 H new ATOM 0 HE22 GLN B 40 18.274 5.552 5.764 1.00 0.35 H new ATOM 1127 N SER B 41 13.317 5.065 0.316 1.00 0.15 N ATOM 1128 CA SER B 41 12.147 4.408 -0.269 1.00 0.14 C ATOM 1129 C SER B 41 12.528 3.251 -1.210 1.00 0.11 C ATOM 1130 O SER B 41 11.767 2.305 -1.356 1.00 0.10 O ATOM 1131 CB SER B 41 11.286 5.429 -1.012 1.00 0.16 C ATOM 1132 OG SER B 41 11.141 6.616 -0.250 1.00 0.75 O ATOM 0 H SER B 41 13.274 6.084 0.298 1.00 0.15 H new ATOM 0 HA SER B 41 11.577 3.977 0.554 1.00 0.14 H new ATOM 0 HB2 SER B 41 11.741 5.663 -1.975 1.00 0.16 H new ATOM 0 HB3 SER B 41 10.305 5.002 -1.218 1.00 0.16 H new ATOM 0 HG SER B 41 11.038 7.381 -0.853 1.00 0.75 H new ATOM 1138 N ALA B 42 13.699 3.320 -1.846 1.00 0.09 N ATOM 1139 CA ALA B 42 14.160 2.228 -2.703 1.00 0.08 C ATOM 1140 C ALA B 42 14.735 1.059 -1.900 1.00 0.10 C ATOM 1141 O ALA B 42 14.448 -0.100 -2.194 1.00 0.10 O ATOM 1142 CB ALA B 42 15.170 2.716 -3.714 1.00 0.09 C ATOM 0 H ALA B 42 14.339 4.112 -1.785 1.00 0.09 H new ATOM 0 HA ALA B 42 13.282 1.860 -3.234 1.00 0.08 H new ATOM 0 HB1 ALA B 42 15.494 1.882 -4.336 1.00 0.09 H new ATOM 0 HB2 ALA B 42 14.715 3.482 -4.342 1.00 0.09 H new ATOM 0 HB3 ALA B 42 16.031 3.137 -3.194 1.00 0.09 H new ATOM 1148 N ASN B 43 15.553 1.357 -0.895 1.00 0.12 N ATOM 1149 CA ASN B 43 16.084 0.311 -0.017 1.00 0.14 C ATOM 1150 C ASN B 43 14.944 -0.279 0.786 1.00 0.14 C ATOM 1151 O ASN B 43 14.906 -1.472 1.077 1.00 0.15 O ATOM 1152 CB ASN B 43 17.158 0.858 0.930 1.00 0.18 C ATOM 1153 CG ASN B 43 18.496 1.058 0.262 1.00 0.27 C ATOM 1154 OD1 ASN B 43 19.311 0.141 0.182 1.00 0.37 O ATOM 1155 ND2 ASN B 43 18.743 2.268 -0.194 1.00 0.33 N ATOM 0 H ASN B 43 15.862 2.302 -0.667 1.00 0.12 H new ATOM 0 HA ASN B 43 16.551 -0.456 -0.635 1.00 0.14 H new ATOM 0 HB2 ASN B 43 16.819 1.809 1.342 1.00 0.18 H new ATOM 0 HB3 ASN B 43 17.277 0.172 1.768 1.00 0.18 H new ATOM 0 HD21 ASN B 43 19.640 2.474 -0.635 1.00 0.33 H new ATOM 0 HD22 ASN B 43 18.038 3.000 -0.107 1.00 0.33 H new ATOM 1162 N LEU B 44 14.021 0.592 1.142 1.00 0.13 N ATOM 1163 CA LEU B 44 12.774 0.196 1.768 1.00 0.13 C ATOM 1164 C LEU B 44 11.944 -0.638 0.802 1.00 0.11 C ATOM 1165 O LEU B 44 11.346 -1.639 1.194 1.00 0.11 O ATOM 1166 CB LEU B 44 11.986 1.427 2.199 1.00 0.14 C ATOM 1167 CG LEU B 44 12.392 2.063 3.535 1.00 0.17 C ATOM 1168 CD1 LEU B 44 13.743 1.573 4.024 1.00 0.19 C ATOM 1169 CD2 LEU B 44 12.431 3.558 3.381 1.00 0.17 C ATOM 0 H LEU B 44 14.115 1.598 1.005 1.00 0.13 H new ATOM 0 HA LEU B 44 13.002 -0.404 2.649 1.00 0.13 H new ATOM 0 HB2 LEU B 44 12.079 2.182 1.419 1.00 0.14 H new ATOM 0 HB3 LEU B 44 10.932 1.155 2.256 1.00 0.14 H new ATOM 0 HG LEU B 44 11.649 1.770 4.277 1.00 0.17 H new ATOM 0 HD11 LEU B 44 13.983 2.054 4.972 1.00 0.19 H new ATOM 0 HD12 LEU B 44 13.710 0.492 4.163 1.00 0.19 H new ATOM 0 HD13 LEU B 44 14.508 1.821 3.288 1.00 0.19 H new ATOM 0 HD21 LEU B 44 12.719 4.014 4.328 1.00 0.17 H new ATOM 0 HD22 LEU B 44 13.157 3.826 2.614 1.00 0.17 H new ATOM 0 HD23 LEU B 44 11.445 3.920 3.089 1.00 0.17 H new ATOM 1181 N LEU B 45 11.924 -0.217 -0.471 1.00 0.10 N ATOM 1182 CA LEU B 45 11.215 -0.944 -1.522 1.00 0.09 C ATOM 1183 C LEU B 45 11.684 -2.375 -1.508 1.00 0.08 C ATOM 1184 O LEU B 45 10.891 -3.313 -1.473 1.00 0.08 O ATOM 1185 CB LEU B 45 11.508 -0.343 -2.910 1.00 0.09 C ATOM 1186 CG LEU B 45 10.294 -0.223 -3.838 1.00 0.11 C ATOM 1187 CD1 LEU B 45 10.681 -0.454 -5.294 1.00 0.13 C ATOM 1188 CD2 LEU B 45 9.204 -1.190 -3.419 1.00 0.10 C ATOM 0 H LEU B 45 12.395 0.628 -0.794 1.00 0.10 H new ATOM 0 HA LEU B 45 10.143 -0.876 -1.335 1.00 0.09 H new ATOM 0 HB2 LEU B 45 11.942 0.648 -2.775 1.00 0.09 H new ATOM 0 HB3 LEU B 45 12.262 -0.957 -3.402 1.00 0.09 H new ATOM 0 HG LEU B 45 9.911 0.794 -3.752 1.00 0.11 H new ATOM 0 HD11 LEU B 45 9.797 -0.362 -5.925 1.00 0.13 H new ATOM 0 HD12 LEU B 45 11.421 0.287 -5.596 1.00 0.13 H new ATOM 0 HD13 LEU B 45 11.102 -1.453 -5.404 1.00 0.13 H new ATOM 0 HD21 LEU B 45 8.351 -1.090 -4.090 1.00 0.10 H new ATOM 0 HD22 LEU B 45 9.585 -2.210 -3.466 1.00 0.10 H new ATOM 0 HD23 LEU B 45 8.892 -0.966 -2.399 1.00 0.10 H new ATOM 1200 N ALA B 46 12.992 -2.506 -1.492 1.00 0.09 N ATOM 1201 CA ALA B 46 13.654 -3.776 -1.440 1.00 0.11 C ATOM 1202 C ALA B 46 13.115 -4.628 -0.318 1.00 0.11 C ATOM 1203 O ALA B 46 12.940 -5.808 -0.495 1.00 0.13 O ATOM 1204 CB ALA B 46 15.132 -3.545 -1.243 1.00 0.13 C ATOM 0 H ALA B 46 13.632 -1.712 -1.515 1.00 0.09 H new ATOM 0 HA ALA B 46 13.475 -4.306 -2.376 1.00 0.11 H new ATOM 0 HB1 ALA B 46 15.648 -4.504 -1.202 1.00 0.13 H new ATOM 0 HB2 ALA B 46 15.523 -2.958 -2.075 1.00 0.13 H new ATOM 0 HB3 ALA B 46 15.295 -3.005 -0.310 1.00 0.13 H new ATOM 1210 N GLU B 47 12.828 -4.010 0.817 1.00 0.11 N ATOM 1211 CA GLU B 47 12.415 -4.738 2.009 1.00 0.12 C ATOM 1212 C GLU B 47 10.995 -5.251 1.897 1.00 0.10 C ATOM 1213 O GLU B 47 10.678 -6.329 2.382 1.00 0.11 O ATOM 1214 CB GLU B 47 12.530 -3.850 3.236 1.00 0.16 C ATOM 1215 CG GLU B 47 13.946 -3.431 3.516 1.00 0.20 C ATOM 1216 CD GLU B 47 14.718 -4.471 4.293 1.00 0.71 C ATOM 1217 OE1 GLU B 47 14.201 -4.971 5.312 1.00 1.43 O ATOM 1218 OE2 GLU B 47 15.851 -4.797 3.885 1.00 1.20 O ATOM 0 H GLU B 47 12.874 -2.998 0.939 1.00 0.11 H new ATOM 0 HA GLU B 47 13.081 -5.596 2.106 1.00 0.12 H new ATOM 0 HB2 GLU B 47 11.913 -2.962 3.096 1.00 0.16 H new ATOM 0 HB3 GLU B 47 12.134 -4.380 4.102 1.00 0.16 H new ATOM 0 HG2 GLU B 47 14.456 -3.235 2.573 1.00 0.20 H new ATOM 0 HG3 GLU B 47 13.940 -2.496 4.075 1.00 0.20 H new ATOM 1225 N ALA B 48 10.142 -4.464 1.275 1.00 0.07 N ATOM 1226 CA ALA B 48 8.746 -4.854 1.097 1.00 0.07 C ATOM 1227 C ALA B 48 8.670 -5.944 0.072 1.00 0.08 C ATOM 1228 O ALA B 48 7.924 -6.904 0.206 1.00 0.09 O ATOM 1229 CB ALA B 48 7.873 -3.694 0.671 1.00 0.09 C ATOM 0 H ALA B 48 10.383 -3.553 0.883 1.00 0.07 H new ATOM 0 HA ALA B 48 8.372 -5.203 2.059 1.00 0.07 H new ATOM 0 HB1 ALA B 48 6.845 -4.037 0.552 1.00 0.09 H new ATOM 0 HB2 ALA B 48 7.910 -2.913 1.430 1.00 0.09 H new ATOM 0 HB3 ALA B 48 8.234 -3.296 -0.277 1.00 0.09 H new ATOM 1235 N LYS B 49 9.473 -5.782 -0.951 1.00 0.09 N ATOM 1236 CA LYS B 49 9.547 -6.738 -2.021 1.00 0.12 C ATOM 1237 C LYS B 49 10.325 -7.958 -1.540 1.00 0.15 C ATOM 1238 O LYS B 49 10.105 -9.073 -1.996 1.00 0.19 O ATOM 1239 CB LYS B 49 10.188 -6.058 -3.219 1.00 0.11 C ATOM 1240 CG LYS B 49 9.475 -4.773 -3.598 1.00 0.11 C ATOM 1241 CD LYS B 49 10.057 -4.123 -4.837 1.00 0.12 C ATOM 1242 CE LYS B 49 11.522 -3.778 -4.667 1.00 0.11 C ATOM 1243 NZ LYS B 49 12.212 -3.607 -5.974 1.00 0.20 N ATOM 0 H LYS B 49 10.094 -4.980 -1.062 1.00 0.09 H new ATOM 0 HA LYS B 49 8.561 -7.088 -2.325 1.00 0.12 H new ATOM 0 HB2 LYS B 49 11.232 -5.840 -2.995 1.00 0.11 H new ATOM 0 HB3 LYS B 49 10.180 -6.740 -4.069 1.00 0.11 H new ATOM 0 HG2 LYS B 49 8.419 -4.985 -3.766 1.00 0.11 H new ATOM 0 HG3 LYS B 49 9.531 -4.072 -2.765 1.00 0.11 H new ATOM 0 HD2 LYS B 49 9.940 -4.795 -5.687 1.00 0.12 H new ATOM 0 HD3 LYS B 49 9.496 -3.217 -5.067 1.00 0.12 H new ATOM 0 HE2 LYS B 49 11.613 -2.860 -4.087 1.00 0.11 H new ATOM 0 HE3 LYS B 49 12.016 -4.565 -4.097 1.00 0.11 H new ATOM 0 HZ1 LYS B 49 13.066 -3.029 -5.843 1.00 0.20 H new ATOM 0 HZ2 LYS B 49 12.479 -4.539 -6.350 1.00 0.20 H new ATOM 0 HZ3 LYS B 49 11.573 -3.134 -6.644 1.00 0.20 H new ATOM 1257 N LYS B 50 11.226 -7.713 -0.595 1.00 0.15 N ATOM 1258 CA LYS B 50 11.934 -8.758 0.138 1.00 0.18 C ATOM 1259 C LYS B 50 10.981 -9.533 1.024 1.00 0.20 C ATOM 1260 O LYS B 50 11.065 -10.747 1.137 1.00 0.26 O ATOM 1261 CB LYS B 50 12.995 -8.093 1.000 1.00 0.19 C ATOM 1262 CG LYS B 50 13.336 -8.824 2.288 1.00 0.24 C ATOM 1263 CD LYS B 50 14.322 -8.025 3.131 1.00 0.33 C ATOM 1264 CE LYS B 50 15.615 -7.753 2.379 1.00 1.07 C ATOM 1265 NZ LYS B 50 16.671 -7.213 3.271 1.00 1.88 N ATOM 0 H LYS B 50 11.489 -6.769 -0.312 1.00 0.15 H new ATOM 0 HA LYS B 50 12.386 -9.455 -0.568 1.00 0.18 H new ATOM 0 HB2 LYS B 50 13.905 -7.987 0.410 1.00 0.19 H new ATOM 0 HB3 LYS B 50 12.658 -7.087 1.251 1.00 0.19 H new ATOM 0 HG2 LYS B 50 12.425 -9.002 2.860 1.00 0.24 H new ATOM 0 HG3 LYS B 50 13.761 -9.800 2.054 1.00 0.24 H new ATOM 0 HD2 LYS B 50 13.866 -7.079 3.425 1.00 0.33 H new ATOM 0 HD3 LYS B 50 14.543 -8.571 4.048 1.00 0.33 H new ATOM 0 HE2 LYS B 50 15.967 -8.675 1.917 1.00 1.07 H new ATOM 0 HE3 LYS B 50 15.424 -7.045 1.573 1.00 1.07 H new ATOM 0 HZ1 LYS B 50 17.600 -7.559 2.958 1.00 1.88 H new ATOM 0 HZ2 LYS B 50 16.658 -6.174 3.235 1.00 1.88 H new ATOM 0 HZ3 LYS B 50 16.496 -7.528 4.247 1.00 1.88 H new ATOM 1279 N LEU B 51 10.097 -8.802 1.669 1.00 0.17 N ATOM 1280 CA LEU B 51 9.099 -9.375 2.541 1.00 0.17 C ATOM 1281 C LEU B 51 8.076 -10.106 1.716 1.00 0.18 C ATOM 1282 O LEU B 51 7.603 -11.187 2.078 1.00 0.20 O ATOM 1283 CB LEU B 51 8.418 -8.283 3.348 1.00 0.14 C ATOM 1284 CG LEU B 51 7.317 -8.782 4.263 1.00 0.12 C ATOM 1285 CD1 LEU B 51 7.829 -9.948 5.086 1.00 0.14 C ATOM 1286 CD2 LEU B 51 6.793 -7.649 5.132 1.00 0.13 C ATOM 0 H LEU B 51 10.052 -7.785 1.601 1.00 0.17 H new ATOM 0 HA LEU B 51 9.582 -10.071 3.227 1.00 0.17 H new ATOM 0 HB2 LEU B 51 9.169 -7.768 3.948 1.00 0.14 H new ATOM 0 HB3 LEU B 51 7.999 -7.547 2.662 1.00 0.14 H new ATOM 0 HG LEU B 51 6.477 -9.138 3.667 1.00 0.12 H new ATOM 0 HD11 LEU B 51 7.036 -10.305 5.743 1.00 0.14 H new ATOM 0 HD12 LEU B 51 8.140 -10.754 4.421 1.00 0.14 H new ATOM 0 HD13 LEU B 51 8.679 -9.624 5.686 1.00 0.14 H new ATOM 0 HD21 LEU B 51 6.003 -8.025 5.783 1.00 0.13 H new ATOM 0 HD22 LEU B 51 7.605 -7.251 5.740 1.00 0.13 H new ATOM 0 HD23 LEU B 51 6.394 -6.858 4.497 1.00 0.13 H new ATOM 1298 N ASN B 52 7.714 -9.481 0.618 1.00 0.18 N ATOM 1299 CA ASN B 52 6.922 -10.133 -0.395 1.00 0.26 C ATOM 1300 C ASN B 52 7.616 -11.421 -0.765 1.00 0.37 C ATOM 1301 O ASN B 52 7.031 -12.479 -0.712 1.00 0.63 O ATOM 1302 CB ASN B 52 6.762 -9.237 -1.623 1.00 0.40 C ATOM 1303 CG ASN B 52 5.920 -9.870 -2.703 1.00 0.79 C ATOM 1304 OD1 ASN B 52 6.429 -10.565 -3.582 1.00 1.86 O ATOM 1305 ND2 ASN B 52 4.627 -9.634 -2.650 1.00 0.29 N ATOM 0 H ASN B 52 7.959 -8.514 0.405 1.00 0.18 H new ATOM 0 HA ASN B 52 5.922 -10.337 -0.013 1.00 0.26 H new ATOM 0 HB2 ASN B 52 6.308 -8.293 -1.322 1.00 0.40 H new ATOM 0 HB3 ASN B 52 7.747 -9.003 -2.027 1.00 0.40 H new ATOM 0 HD21 ASN B 52 4.006 -10.033 -3.354 1.00 0.29 H new ATOM 0 HD22 ASN B 52 4.245 -9.052 -1.904 1.00 0.29 H new ATOM 1312 N ASP B 53 8.904 -11.315 -1.012 1.00 0.31 N ATOM 1313 CA ASP B 53 9.721 -12.448 -1.424 1.00 0.37 C ATOM 1314 C ASP B 53 9.848 -13.462 -0.294 1.00 0.38 C ATOM 1315 O ASP B 53 10.031 -14.656 -0.529 1.00 0.47 O ATOM 1316 CB ASP B 53 11.108 -11.957 -1.845 1.00 0.38 C ATOM 1317 CG ASP B 53 12.047 -13.088 -2.194 1.00 0.93 C ATOM 1318 OD1 ASP B 53 11.820 -13.755 -3.225 1.00 1.71 O ATOM 1319 OD2 ASP B 53 13.010 -13.319 -1.432 1.00 1.59 O ATOM 0 H ASP B 53 9.421 -10.439 -0.934 1.00 0.31 H new ATOM 0 HA ASP B 53 9.237 -12.937 -2.270 1.00 0.37 H new ATOM 0 HB2 ASP B 53 11.009 -11.295 -2.705 1.00 0.38 H new ATOM 0 HB3 ASP B 53 11.541 -11.367 -1.037 1.00 0.38 H new ATOM 1324 N ALA B 54 9.725 -12.980 0.934 1.00 0.30 N ATOM 1325 CA ALA B 54 9.901 -13.818 2.104 1.00 0.30 C ATOM 1326 C ALA B 54 8.742 -14.782 2.265 1.00 0.27 C ATOM 1327 O ALA B 54 8.926 -15.961 2.564 1.00 0.32 O ATOM 1328 CB ALA B 54 10.009 -12.950 3.342 1.00 0.27 C ATOM 0 H ALA B 54 9.503 -12.007 1.143 1.00 0.30 H new ATOM 0 HA ALA B 54 10.816 -14.396 1.974 1.00 0.30 H new ATOM 0 HB1 ALA B 54 10.141 -13.583 4.220 1.00 0.27 H new ATOM 0 HB2 ALA B 54 10.865 -12.282 3.244 1.00 0.27 H new ATOM 0 HB3 ALA B 54 9.099 -12.360 3.454 1.00 0.27 H new ATOM 1334 N GLN B 55 7.549 -14.266 2.044 1.00 0.23 N ATOM 1335 CA GLN B 55 6.336 -15.006 2.333 1.00 0.23 C ATOM 1336 C GLN B 55 5.663 -15.493 1.055 1.00 0.27 C ATOM 1337 O GLN B 55 4.809 -16.380 1.096 1.00 0.34 O ATOM 1338 CB GLN B 55 5.386 -14.113 3.107 1.00 0.21 C ATOM 1339 CG GLN B 55 6.009 -13.501 4.337 1.00 0.18 C ATOM 1340 CD GLN B 55 5.080 -12.510 4.974 1.00 0.20 C ATOM 1341 OE1 GLN B 55 4.344 -12.822 5.908 1.00 0.27 O ATOM 1342 NE2 GLN B 55 5.057 -11.327 4.411 1.00 0.19 N ATOM 0 H GLN B 55 7.393 -13.333 1.663 1.00 0.23 H new ATOM 0 HA GLN B 55 6.596 -15.883 2.926 1.00 0.23 H new ATOM 0 HB2 GLN B 55 5.033 -13.316 2.452 1.00 0.21 H new ATOM 0 HB3 GLN B 55 4.512 -14.694 3.402 1.00 0.21 H new ATOM 0 HG2 GLN B 55 6.256 -14.285 5.053 1.00 0.18 H new ATOM 0 HG3 GLN B 55 6.944 -13.008 4.069 1.00 0.18 H new ATOM 0 HE21 GLN B 55 5.689 -11.118 3.638 1.00 0.19 H new ATOM 0 HE22 GLN B 55 4.407 -10.616 4.746 1.00 0.19 H new ATOM 1351 N ALA B 56 6.063 -14.899 -0.074 1.00 0.27 N ATOM 1352 CA ALA B 56 5.480 -15.187 -1.383 1.00 0.32 C ATOM 1353 C ALA B 56 5.346 -16.683 -1.679 1.00 0.38 C ATOM 1354 O ALA B 56 4.280 -17.133 -2.102 1.00 0.41 O ATOM 1355 CB ALA B 56 6.314 -14.525 -2.458 1.00 0.39 C ATOM 0 H ALA B 56 6.806 -14.200 -0.102 1.00 0.27 H new ATOM 0 HA ALA B 56 4.467 -14.785 -1.373 1.00 0.32 H new ATOM 0 HB1 ALA B 56 5.882 -14.738 -3.436 1.00 0.39 H new ATOM 0 HB2 ALA B 56 6.329 -13.447 -2.295 1.00 0.39 H new ATOM 0 HB3 ALA B 56 7.332 -14.912 -2.419 1.00 0.39 H new ATOM 1361 N PRO B 57 6.418 -17.482 -1.484 1.00 0.48 N ATOM 1362 CA PRO B 57 6.373 -18.907 -1.746 1.00 0.59 C ATOM 1363 C PRO B 57 5.763 -19.652 -0.566 1.00 0.69 C ATOM 1364 O PRO B 57 6.403 -19.832 0.469 1.00 0.78 O ATOM 1365 CB PRO B 57 7.846 -19.290 -1.959 1.00 0.71 C ATOM 1366 CG PRO B 57 8.658 -18.072 -1.633 1.00 0.70 C ATOM 1367 CD PRO B 57 7.738 -17.090 -0.977 1.00 0.54 C ATOM 0 HA PRO B 57 5.754 -19.164 -2.605 1.00 0.59 H new ATOM 0 HB2 PRO B 57 8.126 -20.125 -1.317 1.00 0.71 H new ATOM 0 HB3 PRO B 57 8.019 -19.607 -2.987 1.00 0.71 H new ATOM 0 HG2 PRO B 57 9.485 -18.327 -0.970 1.00 0.70 H new ATOM 0 HG3 PRO B 57 9.094 -17.647 -2.537 1.00 0.70 H new ATOM 0 HD2 PRO B 57 7.788 -17.155 0.110 1.00 0.54 H new ATOM 0 HD3 PRO B 57 7.985 -16.063 -1.247 1.00 0.54 H new ATOM 1375 N LYS B 58 4.515 -20.059 -0.731 1.00 0.90 N ATOM 1376 CA LYS B 58 3.747 -20.666 0.344 1.00 1.10 C ATOM 1377 C LYS B 58 4.187 -22.104 0.583 1.00 1.70 C ATOM 1378 O LYS B 58 3.869 -22.973 -0.256 1.00 2.13 O ATOM 1379 CB LYS B 58 2.252 -20.610 0.014 1.00 1.40 C ATOM 1380 CG LYS B 58 1.762 -19.209 -0.330 1.00 1.73 C ATOM 1381 CD LYS B 58 1.959 -18.242 0.828 1.00 2.38 C ATOM 1382 CE LYS B 58 1.685 -16.805 0.410 1.00 2.95 C ATOM 1383 NZ LYS B 58 0.302 -16.625 -0.102 1.00 3.49 N ATOM 1384 OXT LYS B 58 4.849 -22.362 1.610 1.00 2.35 O ATOM 0 H LYS B 58 4.007 -19.978 -1.612 1.00 0.90 H new ATOM 0 HA LYS B 58 3.929 -20.103 1.260 1.00 1.10 H new ATOM 0 HB2 LYS B 58 2.047 -21.275 -0.825 1.00 1.40 H new ATOM 0 HB3 LYS B 58 1.685 -20.987 0.865 1.00 1.40 H new ATOM 0 HG2 LYS B 58 2.297 -18.841 -1.206 1.00 1.73 H new ATOM 0 HG3 LYS B 58 0.705 -19.248 -0.595 1.00 1.73 H new ATOM 0 HD2 LYS B 58 1.296 -18.516 1.648 1.00 2.38 H new ATOM 0 HD3 LYS B 58 2.979 -18.324 1.202 1.00 2.38 H new ATOM 0 HE2 LYS B 58 1.845 -16.144 1.262 1.00 2.95 H new ATOM 0 HE3 LYS B 58 2.397 -16.510 -0.360 1.00 2.95 H new ATOM 0 HZ1 LYS B 58 0.115 -15.612 -0.247 1.00 3.49 H new ATOM 0 HZ2 LYS B 58 0.198 -17.129 -1.006 1.00 3.49 H new ATOM 0 HZ3 LYS B 58 -0.376 -17.007 0.588 1.00 3.49 H new TER 1398 LYS B 58 ATOM 1399 N GLU C 35 -12.423 -9.902 -6.101 1.00 1.19 N ATOM 1400 CA GLU C 35 -12.984 -8.710 -5.431 1.00 1.03 C ATOM 1401 C GLU C 35 -12.195 -8.377 -4.166 1.00 0.71 C ATOM 1402 O GLU C 35 -12.143 -9.162 -3.216 1.00 1.01 O ATOM 1403 CB GLU C 35 -14.468 -8.925 -5.105 1.00 1.88 C ATOM 1404 CG GLU C 35 -14.753 -10.185 -4.304 1.00 2.46 C ATOM 1405 CD GLU C 35 -16.210 -10.309 -3.918 1.00 2.78 C ATOM 1406 OE1 GLU C 35 -17.007 -10.812 -4.740 1.00 3.32 O ATOM 1407 OE2 GLU C 35 -16.565 -9.908 -2.790 1.00 3.05 O ATOM 0 HA GLU C 35 -12.902 -7.864 -6.113 1.00 1.03 H new ATOM 0 HB2 GLU C 35 -14.835 -8.063 -4.548 1.00 1.88 H new ATOM 0 HB3 GLU C 35 -15.031 -8.965 -6.037 1.00 1.88 H new ATOM 0 HG2 GLU C 35 -14.460 -11.057 -4.888 1.00 2.46 H new ATOM 0 HG3 GLU C 35 -14.140 -10.185 -3.402 1.00 2.46 H new ATOM 1416 N GLY C 36 -11.564 -7.213 -4.175 1.00 0.40 N ATOM 1417 CA GLY C 36 -10.779 -6.775 -3.041 1.00 0.20 C ATOM 1418 C GLY C 36 -9.875 -5.621 -3.411 1.00 0.15 C ATOM 1419 O GLY C 36 -10.035 -5.025 -4.479 1.00 0.22 O ATOM 0 H GLY C 36 -11.583 -6.558 -4.957 1.00 0.40 H new ATOM 0 HA2 GLY C 36 -11.443 -6.474 -2.231 1.00 0.20 H new ATOM 0 HA3 GLY C 36 -10.179 -7.605 -2.669 1.00 0.20 H new ATOM 1423 N VAL C 37 -8.938 -5.287 -2.538 1.00 0.11 N ATOM 1424 CA VAL C 37 -7.964 -4.246 -2.838 1.00 0.09 C ATOM 1425 C VAL C 37 -6.545 -4.786 -2.647 1.00 0.10 C ATOM 1426 O VAL C 37 -6.274 -5.548 -1.715 1.00 0.16 O ATOM 1427 CB VAL C 37 -8.169 -2.994 -1.954 1.00 0.09 C ATOM 1428 CG1 VAL C 37 -9.603 -2.502 -2.034 1.00 0.08 C ATOM 1429 CG2 VAL C 37 -7.775 -3.268 -0.515 1.00 0.10 C ATOM 0 H VAL C 37 -8.830 -5.718 -1.620 1.00 0.11 H new ATOM 0 HA VAL C 37 -8.109 -3.949 -3.877 1.00 0.09 H new ATOM 0 HB VAL C 37 -7.518 -2.208 -2.336 1.00 0.09 H new ATOM 0 HG11 VAL C 37 -9.721 -1.621 -1.403 1.00 0.08 H new ATOM 0 HG12 VAL C 37 -9.842 -2.245 -3.066 1.00 0.08 H new ATOM 0 HG13 VAL C 37 -10.277 -3.287 -1.690 1.00 0.08 H new ATOM 0 HG21 VAL C 37 -7.930 -2.369 0.082 1.00 0.10 H new ATOM 0 HG22 VAL C 37 -8.387 -4.078 -0.118 1.00 0.10 H new ATOM 0 HG23 VAL C 37 -6.724 -3.554 -0.474 1.00 0.10 H new ATOM 1439 N LEU C 38 -5.664 -4.426 -3.557 1.00 0.10 N ATOM 1440 CA LEU C 38 -4.264 -4.820 -3.484 1.00 0.11 C ATOM 1441 C LEU C 38 -3.377 -3.626 -3.129 1.00 0.12 C ATOM 1442 O LEU C 38 -3.547 -2.540 -3.677 1.00 0.20 O ATOM 1443 CB LEU C 38 -3.855 -5.442 -4.833 1.00 0.13 C ATOM 1444 CG LEU C 38 -2.359 -5.448 -5.170 1.00 0.11 C ATOM 1445 CD1 LEU C 38 -1.561 -6.085 -4.066 1.00 0.78 C ATOM 1446 CD2 LEU C 38 -2.102 -6.193 -6.465 1.00 0.74 C ATOM 0 H LEU C 38 -5.893 -3.853 -4.369 1.00 0.10 H new ATOM 0 HA LEU C 38 -4.132 -5.558 -2.693 1.00 0.11 H new ATOM 0 HB2 LEU C 38 -4.211 -6.472 -4.853 1.00 0.13 H new ATOM 0 HB3 LEU C 38 -4.379 -4.908 -5.626 1.00 0.13 H new ATOM 0 HG LEU C 38 -2.045 -4.410 -5.283 1.00 0.11 H new ATOM 0 HD11 LEU C 38 -0.503 -6.077 -4.330 1.00 0.78 H new ATOM 0 HD12 LEU C 38 -1.709 -5.527 -3.142 1.00 0.78 H new ATOM 0 HD13 LEU C 38 -1.892 -7.114 -3.925 1.00 0.78 H new ATOM 0 HD21 LEU C 38 -1.034 -6.184 -6.684 1.00 0.74 H new ATOM 0 HD22 LEU C 38 -2.444 -7.223 -6.366 1.00 0.74 H new ATOM 0 HD23 LEU C 38 -2.643 -5.708 -7.277 1.00 0.74 H new ATOM 1458 N TYR C 39 -2.437 -3.831 -2.208 1.00 0.10 N ATOM 1459 CA TYR C 39 -1.474 -2.807 -1.865 1.00 0.10 C ATOM 1460 C TYR C 39 -0.452 -2.706 -2.972 1.00 0.12 C ATOM 1461 O TYR C 39 0.306 -3.644 -3.232 1.00 0.15 O ATOM 1462 CB TYR C 39 -0.773 -3.120 -0.542 1.00 0.14 C ATOM 1463 CG TYR C 39 0.216 -2.053 -0.105 1.00 0.15 C ATOM 1464 CD1 TYR C 39 1.482 -1.968 -0.677 1.00 1.09 C ATOM 1465 CD2 TYR C 39 -0.112 -1.141 0.887 1.00 1.12 C ATOM 1466 CE1 TYR C 39 2.388 -1.009 -0.271 1.00 1.09 C ATOM 1467 CE2 TYR C 39 0.788 -0.177 1.295 1.00 1.12 C ATOM 1468 CZ TYR C 39 2.037 -0.115 0.712 1.00 0.16 C ATOM 1469 OH TYR C 39 2.939 0.833 1.124 1.00 0.17 O ATOM 0 H TYR C 39 -2.328 -4.702 -1.689 1.00 0.10 H new ATOM 0 HA TYR C 39 -2.000 -1.860 -1.747 1.00 0.10 H new ATOM 0 HB2 TYR C 39 -1.526 -3.245 0.236 1.00 0.14 H new ATOM 0 HB3 TYR C 39 -0.249 -4.071 -0.635 1.00 0.14 H new ATOM 0 HD1 TYR C 39 1.761 -2.665 -1.453 1.00 1.09 H new ATOM 0 HD2 TYR C 39 -1.088 -1.186 1.348 1.00 1.12 H new ATOM 0 HE1 TYR C 39 3.368 -0.961 -0.723 1.00 1.09 H new ATOM 0 HE2 TYR C 39 0.515 0.526 2.068 1.00 1.12 H new ATOM 0 HH TYR C 39 3.816 0.644 0.728 1.00 0.17 H new ATOM 1479 N VAL C 40 -0.448 -1.581 -3.626 1.00 0.10 N ATOM 1480 CA VAL C 40 0.507 -1.331 -4.677 1.00 0.11 C ATOM 1481 C VAL C 40 1.303 -0.075 -4.380 1.00 0.10 C ATOM 1482 O VAL C 40 0.839 0.824 -3.684 1.00 0.10 O ATOM 1483 CB VAL C 40 -0.191 -1.195 -6.041 1.00 0.12 C ATOM 1484 CG1 VAL C 40 -1.121 -0.011 -6.047 1.00 0.11 C ATOM 1485 CG2 VAL C 40 0.816 -1.061 -7.165 1.00 0.13 C ATOM 0 H VAL C 40 -1.098 -0.815 -3.452 1.00 0.10 H new ATOM 0 HA VAL C 40 1.185 -2.183 -4.721 1.00 0.11 H new ATOM 0 HB VAL C 40 -0.770 -2.104 -6.204 1.00 0.12 H new ATOM 0 HG11 VAL C 40 -1.604 0.067 -7.021 1.00 0.11 H new ATOM 0 HG12 VAL C 40 -1.879 -0.140 -5.275 1.00 0.11 H new ATOM 0 HG13 VAL C 40 -0.553 0.898 -5.850 1.00 0.11 H new ATOM 0 HG21 VAL C 40 0.290 -0.967 -8.115 1.00 0.13 H new ATOM 0 HG22 VAL C 40 1.429 -0.175 -7.000 1.00 0.13 H new ATOM 0 HG23 VAL C 40 1.454 -1.945 -7.189 1.00 0.13 H new ATOM 1495 N GLY C 41 2.505 -0.032 -4.891 1.00 0.10 N ATOM 1496 CA GLY C 41 3.317 1.140 -4.769 1.00 0.09 C ATOM 1497 C GLY C 41 3.804 1.598 -6.115 1.00 0.09 C ATOM 1498 O GLY C 41 3.752 0.844 -7.083 1.00 0.09 O ATOM 0 H GLY C 41 2.941 -0.802 -5.398 1.00 0.10 H new ATOM 0 HA2 GLY C 41 2.744 1.937 -4.295 1.00 0.09 H new ATOM 0 HA3 GLY C 41 4.169 0.931 -4.121 1.00 0.09 H new ATOM 1502 N SER C 42 4.288 2.816 -6.183 1.00 0.11 N ATOM 1503 CA SER C 42 4.818 3.349 -7.417 1.00 0.12 C ATOM 1504 C SER C 42 6.124 4.057 -7.121 1.00 0.15 C ATOM 1505 O SER C 42 6.189 4.968 -6.293 1.00 0.17 O ATOM 1506 CB SER C 42 3.815 4.278 -8.112 1.00 0.12 C ATOM 1507 OG SER C 42 4.294 4.706 -9.377 1.00 0.15 O ATOM 0 H SER C 42 4.326 3.460 -5.393 1.00 0.11 H new ATOM 0 HA SER C 42 5.003 2.529 -8.111 1.00 0.12 H new ATOM 0 HB2 SER C 42 2.864 3.760 -8.238 1.00 0.12 H new ATOM 0 HB3 SER C 42 3.624 5.146 -7.481 1.00 0.12 H new ATOM 0 HG SER C 42 3.632 5.295 -9.795 1.00 0.15 H new ATOM 1513 N LYS C 43 7.159 3.581 -7.768 1.00 0.16 N ATOM 1514 CA LYS C 43 8.512 4.020 -7.523 1.00 0.19 C ATOM 1515 C LYS C 43 8.817 5.320 -8.257 1.00 0.19 C ATOM 1516 O LYS C 43 9.082 5.308 -9.453 1.00 0.19 O ATOM 1517 CB LYS C 43 9.446 2.934 -8.005 1.00 0.20 C ATOM 1518 CG LYS C 43 10.839 3.105 -7.510 1.00 0.23 C ATOM 1519 CD LYS C 43 10.892 2.841 -6.025 1.00 0.28 C ATOM 1520 CE LYS C 43 12.276 3.008 -5.457 1.00 0.34 C ATOM 1521 NZ LYS C 43 12.930 4.253 -5.935 1.00 0.89 N ATOM 0 H LYS C 43 7.085 2.866 -8.492 1.00 0.16 H new ATOM 0 HA LYS C 43 8.643 4.206 -6.457 1.00 0.19 H new ATOM 0 HB2 LYS C 43 9.067 1.965 -7.680 1.00 0.20 H new ATOM 0 HB3 LYS C 43 9.452 2.924 -9.095 1.00 0.20 H new ATOM 0 HG2 LYS C 43 11.507 2.421 -8.034 1.00 0.23 H new ATOM 0 HG3 LYS C 43 11.188 4.116 -7.721 1.00 0.23 H new ATOM 0 HD2 LYS C 43 10.209 3.520 -5.514 1.00 0.28 H new ATOM 0 HD3 LYS C 43 10.542 1.828 -5.827 1.00 0.28 H new ATOM 0 HE2 LYS C 43 12.221 3.023 -4.368 1.00 0.34 H new ATOM 0 HE3 LYS C 43 12.887 2.149 -5.734 1.00 0.34 H new ATOM 0 HZ1 LYS C 43 13.509 4.656 -5.171 1.00 0.89 H new ATOM 0 HZ2 LYS C 43 13.537 4.035 -6.751 1.00 0.89 H new ATOM 0 HZ3 LYS C 43 12.203 4.941 -6.218 1.00 0.89 H new ATOM 1535 N THR C 44 8.836 6.424 -7.533 1.00 0.23 N ATOM 1536 CA THR C 44 8.838 7.746 -8.163 1.00 0.26 C ATOM 1537 C THR C 44 9.919 8.680 -7.591 1.00 0.34 C ATOM 1538 O THR C 44 10.950 8.230 -7.093 1.00 0.37 O ATOM 1539 CB THR C 44 7.464 8.431 -8.005 1.00 0.30 C ATOM 1540 OG1 THR C 44 7.269 8.862 -6.647 1.00 0.39 O ATOM 1541 CG2 THR C 44 6.328 7.505 -8.395 1.00 0.26 C ATOM 0 H THR C 44 8.850 6.440 -6.513 1.00 0.23 H new ATOM 0 HA THR C 44 9.058 7.574 -9.216 1.00 0.26 H new ATOM 0 HB THR C 44 7.458 9.293 -8.673 1.00 0.30 H new ATOM 0 HG1 THR C 44 6.394 9.296 -6.564 1.00 0.39 H new ATOM 0 HG21 THR C 44 5.377 8.023 -8.270 1.00 0.26 H new ATOM 0 HG22 THR C 44 6.444 7.205 -9.437 1.00 0.26 H new ATOM 0 HG23 THR C 44 6.345 6.620 -7.759 1.00 0.26 H new ATOM 1549 N LYS C 45 9.668 9.989 -7.697 1.00 0.40 N ATOM 1550 CA LYS C 45 10.582 11.022 -7.207 1.00 0.49 C ATOM 1551 C LYS C 45 10.742 10.962 -5.685 1.00 0.50 C ATOM 1552 O LYS C 45 11.863 10.987 -5.175 1.00 0.57 O ATOM 1553 CB LYS C 45 10.085 12.406 -7.647 1.00 0.59 C ATOM 1554 CG LYS C 45 8.663 12.727 -7.199 1.00 1.53 C ATOM 1555 CD LYS C 45 8.108 13.957 -7.901 1.00 2.10 C ATOM 1556 CE LYS C 45 7.897 13.699 -9.385 1.00 2.43 C ATOM 1557 NZ LYS C 45 7.293 14.864 -10.081 1.00 3.18 N ATOM 0 H LYS C 45 8.821 10.362 -8.127 1.00 0.40 H new ATOM 0 HA LYS C 45 11.565 10.839 -7.641 1.00 0.49 H new ATOM 0 HB2 LYS C 45 10.760 13.165 -7.251 1.00 0.59 H new ATOM 0 HB3 LYS C 45 10.135 12.470 -8.734 1.00 0.59 H new ATOM 0 HG2 LYS C 45 8.018 11.872 -7.401 1.00 1.53 H new ATOM 0 HG3 LYS C 45 8.650 12.888 -6.121 1.00 1.53 H new ATOM 0 HD2 LYS C 45 7.162 14.245 -7.442 1.00 2.10 H new ATOM 0 HD3 LYS C 45 8.794 14.794 -7.769 1.00 2.10 H new ATOM 0 HE2 LYS C 45 8.853 13.458 -9.849 1.00 2.43 H new ATOM 0 HE3 LYS C 45 7.253 12.829 -9.512 1.00 2.43 H new ATOM 0 HZ1 LYS C 45 7.169 14.640 -11.089 1.00 3.18 H new ATOM 0 HZ2 LYS C 45 6.368 15.080 -9.658 1.00 3.18 H new ATOM 0 HZ3 LYS C 45 7.919 15.689 -9.984 1.00 3.18 H new ATOM 1571 N GLU C 46 9.625 10.873 -4.964 1.00 0.47 N ATOM 1572 CA GLU C 46 9.673 10.667 -3.519 1.00 0.51 C ATOM 1573 C GLU C 46 10.165 9.254 -3.285 1.00 0.48 C ATOM 1574 O GLU C 46 10.870 8.953 -2.319 1.00 0.55 O ATOM 1575 CB GLU C 46 8.287 10.877 -2.904 1.00 0.51 C ATOM 1576 CG GLU C 46 7.736 12.276 -3.131 1.00 0.63 C ATOM 1577 CD GLU C 46 6.318 12.443 -2.627 1.00 0.73 C ATOM 1578 OE1 GLU C 46 6.144 12.739 -1.423 1.00 0.88 O ATOM 1579 OE2 GLU C 46 5.371 12.267 -3.424 1.00 0.72 O ATOM 0 H GLU C 46 8.685 10.940 -5.353 1.00 0.47 H new ATOM 0 HA GLU C 46 10.344 11.383 -3.045 1.00 0.51 H new ATOM 0 HB2 GLU C 46 7.595 10.148 -3.326 1.00 0.51 H new ATOM 0 HB3 GLU C 46 8.339 10.684 -1.833 1.00 0.51 H new ATOM 0 HG2 GLU C 46 8.381 13.000 -2.632 1.00 0.63 H new ATOM 0 HG3 GLU C 46 7.766 12.504 -4.197 1.00 0.63 H new ATOM 1586 N GLY C 47 9.759 8.401 -4.202 1.00 0.38 N ATOM 1587 CA GLY C 47 10.399 7.136 -4.421 1.00 0.40 C ATOM 1588 C GLY C 47 9.516 5.966 -4.115 1.00 0.31 C ATOM 1589 O GLY C 47 9.701 4.917 -4.690 1.00 0.38 O ATOM 0 H GLY C 47 8.966 8.575 -4.819 1.00 0.38 H new ATOM 0 HA2 GLY C 47 10.724 7.076 -5.460 1.00 0.40 H new ATOM 0 HA3 GLY C 47 11.295 7.078 -3.803 1.00 0.40 H new ATOM 1593 N VAL C 48 8.508 6.158 -3.289 1.00 0.21 N ATOM 1594 CA VAL C 48 7.507 5.125 -3.062 1.00 0.15 C ATOM 1595 C VAL C 48 6.195 5.762 -2.642 1.00 0.10 C ATOM 1596 O VAL C 48 6.146 6.506 -1.665 1.00 0.12 O ATOM 1597 CB VAL C 48 7.962 4.064 -2.013 1.00 0.15 C ATOM 1598 CG1 VAL C 48 6.794 3.270 -1.471 1.00 0.15 C ATOM 1599 CG2 VAL C 48 8.974 3.103 -2.610 1.00 0.20 C ATOM 0 H VAL C 48 8.357 7.018 -2.762 1.00 0.21 H new ATOM 0 HA VAL C 48 7.371 4.592 -4.003 1.00 0.15 H new ATOM 0 HB VAL C 48 8.422 4.617 -1.194 1.00 0.15 H new ATOM 0 HG11 VAL C 48 7.155 2.542 -0.744 1.00 0.15 H new ATOM 0 HG12 VAL C 48 6.087 3.945 -0.989 1.00 0.15 H new ATOM 0 HG13 VAL C 48 6.297 2.749 -2.289 1.00 0.15 H new ATOM 0 HG21 VAL C 48 9.273 2.375 -1.856 1.00 0.20 H new ATOM 0 HG22 VAL C 48 8.527 2.584 -3.458 1.00 0.20 H new ATOM 0 HG23 VAL C 48 9.850 3.659 -2.945 1.00 0.20 H new ATOM 1609 N VAL C 49 5.145 5.499 -3.395 1.00 0.09 N ATOM 1610 CA VAL C 49 3.817 5.917 -2.993 1.00 0.07 C ATOM 1611 C VAL C 49 2.965 4.699 -2.702 1.00 0.08 C ATOM 1612 O VAL C 49 3.078 3.678 -3.377 1.00 0.12 O ATOM 1613 CB VAL C 49 3.120 6.797 -4.050 1.00 0.07 C ATOM 1614 CG1 VAL C 49 2.981 6.054 -5.374 1.00 0.07 C ATOM 1615 CG2 VAL C 49 1.760 7.246 -3.537 1.00 0.09 C ATOM 0 H VAL C 49 5.185 5.000 -4.284 1.00 0.09 H new ATOM 0 HA VAL C 49 3.931 6.525 -2.095 1.00 0.07 H new ATOM 0 HB VAL C 49 3.736 7.678 -4.228 1.00 0.07 H new ATOM 0 HG11 VAL C 49 2.486 6.697 -6.102 1.00 0.07 H new ATOM 0 HG12 VAL C 49 3.969 5.781 -5.744 1.00 0.07 H new ATOM 0 HG13 VAL C 49 2.388 5.152 -5.224 1.00 0.07 H new ATOM 0 HG21 VAL C 49 1.274 7.867 -4.290 1.00 0.09 H new ATOM 0 HG22 VAL C 49 1.141 6.372 -3.333 1.00 0.09 H new ATOM 0 HG23 VAL C 49 1.889 7.821 -2.620 1.00 0.09 H new ATOM 1625 N HIS C 50 2.127 4.810 -1.696 1.00 0.08 N ATOM 1626 CA HIS C 50 1.280 3.710 -1.285 1.00 0.09 C ATOM 1627 C HIS C 50 -0.090 3.880 -1.910 1.00 0.07 C ATOM 1628 O HIS C 50 -0.835 4.801 -1.571 1.00 0.09 O ATOM 1629 CB HIS C 50 1.160 3.666 0.238 1.00 0.13 C ATOM 1630 CG HIS C 50 2.331 4.280 0.941 1.00 0.17 C ATOM 1631 ND1 HIS C 50 3.569 3.688 0.946 1.00 0.23 N ATOM 1632 CD2 HIS C 50 2.400 5.458 1.594 1.00 0.20 C ATOM 1633 CE1 HIS C 50 4.360 4.520 1.598 1.00 0.28 C ATOM 1634 NE2 HIS C 50 3.695 5.609 2.010 1.00 0.26 N ATOM 0 H HIS C 50 2.013 5.659 -1.142 1.00 0.08 H new ATOM 0 HA HIS C 50 1.723 2.772 -1.619 1.00 0.09 H new ATOM 0 HB2 HIS C 50 0.250 4.186 0.539 1.00 0.13 H new ATOM 0 HB3 HIS C 50 1.055 2.629 0.558 1.00 0.13 H new ATOM 0 HD1 HIS C 50 3.825 2.792 0.532 1.00 0.23 H new ATOM 0 HD2 HIS C 50 1.588 6.151 1.758 1.00 0.20 H new ATOM 0 HE1 HIS C 50 5.411 4.345 1.777 1.00 0.28 H new ATOM 1642 N GLY C 51 -0.398 3.017 -2.847 1.00 0.06 N ATOM 1643 CA GLY C 51 -1.673 3.071 -3.501 1.00 0.05 C ATOM 1644 C GLY C 51 -2.396 1.761 -3.384 1.00 0.06 C ATOM 1645 O GLY C 51 -1.940 0.851 -2.691 1.00 0.07 O ATOM 0 H GLY C 51 0.219 2.272 -3.170 1.00 0.06 H new ATOM 0 HA2 GLY C 51 -2.278 3.864 -3.061 1.00 0.05 H new ATOM 0 HA3 GLY C 51 -1.535 3.321 -4.553 1.00 0.05 H new ATOM 1649 N VAL C 52 -3.511 1.645 -4.069 1.00 0.07 N ATOM 1650 CA VAL C 52 -4.297 0.440 -3.982 1.00 0.08 C ATOM 1651 C VAL C 52 -4.860 0.064 -5.327 1.00 0.09 C ATOM 1652 O VAL C 52 -5.429 0.886 -6.032 1.00 0.09 O ATOM 1653 CB VAL C 52 -5.426 0.538 -2.905 1.00 0.08 C ATOM 1654 CG1 VAL C 52 -5.702 1.978 -2.491 1.00 0.08 C ATOM 1655 CG2 VAL C 52 -6.722 -0.091 -3.377 1.00 0.08 C ATOM 0 H VAL C 52 -3.889 2.364 -4.686 1.00 0.07 H new ATOM 0 HA VAL C 52 -3.624 -0.354 -3.658 1.00 0.08 H new ATOM 0 HB VAL C 52 -5.054 -0.015 -2.043 1.00 0.08 H new ATOM 0 HG11 VAL C 52 -6.493 1.996 -1.742 1.00 0.08 H new ATOM 0 HG12 VAL C 52 -4.796 2.416 -2.073 1.00 0.08 H new ATOM 0 HG13 VAL C 52 -6.014 2.554 -3.362 1.00 0.08 H new ATOM 0 HG21 VAL C 52 -7.477 0.001 -2.596 1.00 0.08 H new ATOM 0 HG22 VAL C 52 -7.067 0.418 -4.277 1.00 0.08 H new ATOM 0 HG23 VAL C 52 -6.555 -1.145 -3.598 1.00 0.08 H new ATOM 1665 N ALA C 53 -4.681 -1.192 -5.671 1.00 0.10 N ATOM 1666 CA ALA C 53 -5.207 -1.719 -6.896 1.00 0.10 C ATOM 1667 C ALA C 53 -6.432 -2.533 -6.565 1.00 0.09 C ATOM 1668 O ALA C 53 -6.330 -3.624 -6.011 1.00 0.12 O ATOM 1669 CB ALA C 53 -4.174 -2.586 -7.594 1.00 0.11 C ATOM 0 H ALA C 53 -4.168 -1.869 -5.107 1.00 0.10 H new ATOM 0 HA ALA C 53 -5.465 -0.903 -7.571 1.00 0.10 H new ATOM 0 HB1 ALA C 53 -4.593 -2.976 -8.521 1.00 0.11 H new ATOM 0 HB2 ALA C 53 -3.290 -1.989 -7.818 1.00 0.11 H new ATOM 0 HB3 ALA C 53 -3.896 -3.416 -6.944 1.00 0.11 H new ATOM 1675 N THR C 54 -7.585 -2.008 -6.883 1.00 0.09 N ATOM 1676 CA THR C 54 -8.807 -2.679 -6.502 1.00 0.12 C ATOM 1677 C THR C 54 -9.172 -3.712 -7.549 1.00 0.19 C ATOM 1678 O THR C 54 -9.468 -3.390 -8.699 1.00 0.45 O ATOM 1679 CB THR C 54 -9.965 -1.693 -6.251 1.00 0.14 C ATOM 1680 OG1 THR C 54 -11.206 -2.400 -6.110 1.00 0.23 O ATOM 1681 CG2 THR C 54 -10.062 -0.669 -7.362 1.00 0.14 C ATOM 0 H THR C 54 -7.708 -1.135 -7.395 1.00 0.09 H new ATOM 0 HA THR C 54 -8.631 -3.185 -5.553 1.00 0.12 H new ATOM 0 HB THR C 54 -9.758 -1.162 -5.322 1.00 0.14 H new ATOM 0 HG1 THR C 54 -11.054 -3.233 -5.617 1.00 0.23 H new ATOM 0 HG21 THR C 54 -10.888 0.013 -7.157 1.00 0.14 H new ATOM 0 HG22 THR C 54 -9.131 -0.105 -7.419 1.00 0.14 H new ATOM 0 HG23 THR C 54 -10.237 -1.177 -8.310 1.00 0.14 H new ATOM 1689 N VAL C 55 -9.126 -4.961 -7.129 1.00 0.23 N ATOM 1690 CA VAL C 55 -9.279 -6.085 -8.024 1.00 0.29 C ATOM 1691 C VAL C 55 -10.721 -6.575 -8.041 1.00 0.36 C ATOM 1692 O VAL C 55 -11.344 -6.749 -6.995 1.00 0.35 O ATOM 1693 CB VAL C 55 -8.312 -7.229 -7.627 1.00 0.29 C ATOM 1694 CG1 VAL C 55 -8.319 -7.451 -6.119 1.00 0.23 C ATOM 1695 CG2 VAL C 55 -8.654 -8.518 -8.365 1.00 0.39 C ATOM 0 H VAL C 55 -8.981 -5.223 -6.154 1.00 0.23 H new ATOM 0 HA VAL C 55 -9.026 -5.756 -9.032 1.00 0.29 H new ATOM 0 HB VAL C 55 -7.306 -6.930 -7.921 1.00 0.29 H new ATOM 0 HG11 VAL C 55 -7.632 -8.259 -5.867 1.00 0.23 H new ATOM 0 HG12 VAL C 55 -8.004 -6.537 -5.615 1.00 0.23 H new ATOM 0 HG13 VAL C 55 -9.325 -7.716 -5.795 1.00 0.23 H new ATOM 0 HG21 VAL C 55 -7.959 -9.303 -8.067 1.00 0.39 H new ATOM 0 HG22 VAL C 55 -9.671 -8.820 -8.117 1.00 0.39 H new ATOM 0 HG23 VAL C 55 -8.576 -8.354 -9.440 1.00 0.39 H new ATOM 1705 N ALA C 56 -11.248 -6.759 -9.238 1.00 0.49 N ATOM 1706 CA ALA C 56 -12.594 -7.263 -9.418 1.00 0.64 C ATOM 1707 C ALA C 56 -12.566 -8.778 -9.566 1.00 0.75 C ATOM 1708 O ALA C 56 -13.028 -9.482 -8.646 1.00 1.43 O ATOM 1709 CB ALA C 56 -13.223 -6.613 -10.637 1.00 0.86 C ATOM 1710 OXT ALA C 56 -12.043 -9.258 -10.595 1.00 1.16 O ATOM 0 H ALA C 56 -10.755 -6.563 -10.109 1.00 0.49 H new ATOM 0 HA ALA C 56 -13.195 -7.016 -8.543 1.00 0.64 H new ATOM 0 HB1 ALA C 56 -14.236 -6.994 -10.771 1.00 0.86 H new ATOM 0 HB2 ALA C 56 -13.257 -5.533 -10.496 1.00 0.86 H new ATOM 0 HB3 ALA C 56 -12.629 -6.845 -11.521 1.00 0.86 H new TER 1716 ALA C 56