USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 800 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: B 23 ASN : amide:sc= -5.33! C(o=-8.5!,f=-16!) USER MOD Set 1.2: B 26 GLN : amide:sc= -0.889 X(o=-8.5,f=-8.1!) USER MOD Set 1.3: B 55 GLN : amide:sc= -2.24 K(o=-8.5,f=-5.3) USER MOD Set 2.1: A 28 ASN : amide:sc= -6.98! C(o=-7.3!,f=-12!) USER MOD Set 2.2: B 10 SER OG : rot -170:sc= -0.28 USER MOD Set 3.1: A 23 ASN : amide:sc= -0.774 K(o=-1.6,f=-11!) USER MOD Set 3.2: A 55 GLN : amide:sc= -0.786 K(o=-1.6,f=-7.5!) USER MOD Set 4.1: A 14 TYR OH : rot 19:sc= -0.309 USER MOD Set 4.2: A 18 HIS : no HD1:sc= -22.6! C(o=-23!,f=-26!) USER MOD Set 5.1: A 7 LYS NZ :NH3+ 126:sc= 0.00715 (180deg=-0.165) USER MOD Set 5.2: A 11 ASN : amide:sc= 0.0823 K(o=0.089,f=-0.43) USER MOD Single : A 6 ASN : amide:sc= 0.00473 X(o=0.0047,f=0) USER MOD Single : A 9 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.9) USER MOD Single : A 10 GLN : amide:sc= -0.4 K(o=-0.4,f=-5.9!) USER MOD Single : A 21 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.72) USER MOD Single : A 26 GLN : amide:sc= -0.933 K(o=-0.93,f=-5!) USER MOD Single : A 32 GLN : amide:sc= -0.64 K(o=-0.64,f=-2.1!) USER MOD Single : A 33 SER OG : rot 12:sc= -0.311 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= -1.26 (180deg=-1.37) USER MOD Single : A 39 SER OG : rot -57:sc= 0.62 USER MOD Single : A 40 GLN : amide:sc= -0.0821 K(o=-0.082,f=-1.6) USER MOD Single : A 41 SER OG : rot -98:sc= 0.719 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.703! C(o=-0.7!,f=-10!) USER MOD Single : B 6 ASN : amide:sc= -4.91! C(o=-4.9!,f=-6.8!) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot -83:sc= 1.23 USER MOD Single : B 21 ASN : amide:sc= -1.45! C(o=-1.5!,f=-2.7!) USER MOD Single : B 27 LYS NZ :NH3+ -144:sc= 0.24 (180deg=-0.417) USER MOD Single : B 28 LYS NZ :NH3+ -114:sc= 0.0692 (180deg=-0.0946) USER MOD Single : B 33 SER OG : rot -21:sc= -2.65! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot 160:sc= -0.432 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 175:sc= 0.165 (180deg=0.154) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 ASN : amide:sc= -4.92! C(o=-4.9!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 4.167 -13.960 6.949 1.00 0.00 N ATOM 68 CA PHE A 5 4.350 -13.294 5.610 1.00 0.00 C ATOM 69 C PHE A 5 3.017 -12.820 5.009 1.00 0.00 C ATOM 70 O PHE A 5 3.002 -11.838 4.297 1.00 0.00 O ATOM 71 CB PHE A 5 5.018 -14.335 4.689 1.00 0.00 C ATOM 72 CG PHE A 5 6.438 -14.669 5.145 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.117 -13.872 6.092 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.075 -15.794 4.607 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.418 -14.207 6.483 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.377 -16.123 5.003 1.00 0.00 C ATOM 77 CZ PHE A 5 9.047 -15.330 5.939 1.00 0.00 C ATOM 0 HA PHE A 5 4.964 -12.400 5.720 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.418 -15.245 4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.044 -13.953 3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.632 -13.004 6.514 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.560 -16.410 3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.937 -13.596 7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.865 -16.991 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.052 -15.585 6.242 1.00 0.00 H new ATOM 87 N ASN A 6 1.907 -13.491 5.292 1.00 0.00 N ATOM 88 CA ASN A 6 0.584 -13.045 4.724 1.00 0.00 C ATOM 89 C ASN A 6 0.329 -11.566 5.084 1.00 0.00 C ATOM 90 O ASN A 6 0.341 -10.719 4.207 1.00 0.00 O ATOM 91 CB ASN A 6 -0.479 -13.964 5.353 1.00 0.00 C ATOM 92 CG ASN A 6 -1.670 -14.100 4.395 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.901 -15.161 3.850 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.432 -13.066 4.154 1.00 0.00 N ATOM 0 H ASN A 6 1.865 -14.319 5.886 1.00 0.00 H new ATOM 0 HA ASN A 6 0.560 -13.115 3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.051 -14.945 5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.811 -13.554 6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.218 -13.151 3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.240 -12.174 4.610 1.00 0.00 H new ATOM 101 N LYS A 7 0.141 -11.240 6.355 1.00 0.00 N ATOM 102 CA LYS A 7 -0.070 -9.800 6.738 1.00 0.00 C ATOM 103 C LYS A 7 1.218 -8.984 6.570 1.00 0.00 C ATOM 104 O LYS A 7 1.142 -7.824 6.242 1.00 0.00 O ATOM 105 CB LYS A 7 -0.544 -9.778 8.191 1.00 0.00 C ATOM 106 CG LYS A 7 -0.349 -8.377 8.780 1.00 0.00 C ATOM 107 CD LYS A 7 -0.957 -8.333 10.169 1.00 0.00 C ATOM 108 CE LYS A 7 -0.390 -7.143 10.963 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.936 -5.904 10.319 1.00 0.00 N ATOM 0 H LYS A 7 0.125 -11.903 7.130 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.815 -9.344 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.595 -10.062 8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.014 -10.509 8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.712 -8.133 8.826 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.820 -7.631 8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.041 -8.247 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.746 -9.264 10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.686 -7.199 12.010 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.700 -7.145 10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.406 -5.318 11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.158 -5.365 9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.623 -6.168 9.584 1.00 0.00 H new ATOM 123 N GLU A 8 2.387 -9.573 6.783 1.00 0.00 N ATOM 124 CA GLU A 8 3.671 -8.802 6.610 1.00 0.00 C ATOM 125 C GLU A 8 3.686 -8.168 5.227 1.00 0.00 C ATOM 126 O GLU A 8 4.159 -7.067 5.066 1.00 0.00 O ATOM 127 CB GLU A 8 4.830 -9.799 6.724 1.00 0.00 C ATOM 128 CG GLU A 8 5.129 -10.128 8.191 1.00 0.00 C ATOM 129 CD GLU A 8 5.544 -8.862 8.956 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.548 -8.268 8.590 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.849 -8.508 9.892 1.00 0.00 O ATOM 0 H GLU A 8 2.503 -10.546 7.067 1.00 0.00 H new ATOM 0 HA GLU A 8 3.761 -8.021 7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.582 -10.714 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.720 -9.383 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.248 -10.569 8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.925 -10.871 8.248 1.00 0.00 H new ATOM 138 N GLN A 9 3.135 -8.850 4.238 1.00 0.00 N ATOM 139 CA GLN A 9 3.074 -8.271 2.879 1.00 0.00 C ATOM 140 C GLN A 9 2.094 -7.085 2.873 1.00 0.00 C ATOM 141 O GLN A 9 2.446 -6.035 2.410 1.00 0.00 O ATOM 142 CB GLN A 9 2.601 -9.372 1.937 1.00 0.00 C ATOM 143 CG GLN A 9 3.685 -10.427 1.727 1.00 0.00 C ATOM 144 CD GLN A 9 3.088 -11.582 0.918 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.564 -12.522 1.481 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.134 -11.549 -0.388 1.00 0.00 N ATOM 0 H GLN A 9 2.730 -9.781 4.330 1.00 0.00 H new ATOM 0 HA GLN A 9 4.049 -7.902 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.707 -9.843 2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.323 -8.937 0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.536 -9.996 1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.054 -10.788 2.687 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.574 -10.761 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.730 -12.312 -0.932 1.00 0.00 H new ATOM 155 N GLN A 10 0.884 -7.222 3.431 1.00 0.00 N ATOM 156 CA GLN A 10 -0.050 -6.017 3.476 1.00 0.00 C ATOM 157 C GLN A 10 0.532 -4.951 4.395 1.00 0.00 C ATOM 158 O GLN A 10 0.423 -3.795 4.091 1.00 0.00 O ATOM 159 CB GLN A 10 -1.495 -6.359 3.931 1.00 0.00 C ATOM 160 CG GLN A 10 -1.718 -7.749 4.546 1.00 0.00 C ATOM 161 CD GLN A 10 -2.519 -8.632 3.578 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.628 -8.303 3.219 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.010 -9.752 3.145 1.00 0.00 N ATOM 0 H GLN A 10 0.517 -8.081 3.841 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.126 -5.651 2.452 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.807 -5.611 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.155 -6.259 3.069 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.758 -8.216 4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.252 -7.655 5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.077 -10.037 3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.545 -10.343 2.509 1.00 0.00 H new ATOM 172 N ASN A 11 1.169 -5.318 5.491 1.00 0.00 N ATOM 173 CA ASN A 11 1.785 -4.280 6.381 1.00 0.00 C ATOM 174 C ASN A 11 2.943 -3.614 5.628 1.00 0.00 C ATOM 175 O ASN A 11 3.063 -2.412 5.625 1.00 0.00 O ATOM 176 CB ASN A 11 2.305 -5.015 7.621 1.00 0.00 C ATOM 177 CG ASN A 11 2.380 -4.036 8.798 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.394 -3.803 9.471 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.509 -3.439 9.071 1.00 0.00 N ATOM 0 H ASN A 11 1.286 -6.282 5.802 1.00 0.00 H new ATOM 0 HA ASN A 11 1.070 -3.509 6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.646 -5.847 7.867 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.290 -5.437 7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.562 -2.779 9.847 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.337 -3.633 8.508 1.00 0.00 H new ATOM 186 N ALA A 12 3.767 -4.403 4.957 1.00 0.00 N ATOM 187 CA ALA A 12 4.896 -3.832 4.155 1.00 0.00 C ATOM 188 C ALA A 12 4.319 -3.038 2.982 1.00 0.00 C ATOM 189 O ALA A 12 4.734 -1.935 2.733 1.00 0.00 O ATOM 190 CB ALA A 12 5.703 -5.024 3.645 1.00 0.00 C ATOM 0 H ALA A 12 3.699 -5.421 4.935 1.00 0.00 H new ATOM 0 HA ALA A 12 5.523 -3.163 4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.544 -4.667 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.076 -5.600 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.066 -5.658 3.028 1.00 0.00 H new ATOM 196 N PHE A 13 3.328 -3.591 2.301 1.00 0.00 N ATOM 197 CA PHE A 13 2.647 -2.875 1.165 1.00 0.00 C ATOM 198 C PHE A 13 2.102 -1.556 1.701 1.00 0.00 C ATOM 199 O PHE A 13 2.427 -0.491 1.216 1.00 0.00 O ATOM 200 CB PHE A 13 1.477 -3.804 0.758 1.00 0.00 C ATOM 201 CG PHE A 13 0.531 -3.101 -0.175 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.005 -2.571 -1.368 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.828 -3.023 0.137 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.125 -1.964 -2.256 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.709 -2.408 -0.745 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.233 -1.883 -1.941 1.00 0.00 C ATOM 0 H PHE A 13 2.960 -4.523 2.491 1.00 0.00 H new ATOM 0 HA PHE A 13 3.307 -2.665 0.323 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.870 -4.700 0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.940 -4.130 1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.057 -2.631 -1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.194 -3.440 1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.490 -1.556 -3.187 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.759 -2.338 -0.502 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.917 -1.410 -2.630 1.00 0.00 H new ATOM 216 N TYR A 14 1.304 -1.664 2.735 1.00 0.00 N ATOM 217 CA TYR A 14 0.701 -0.487 3.413 1.00 0.00 C ATOM 218 C TYR A 14 1.789 0.525 3.777 1.00 0.00 C ATOM 219 O TYR A 14 1.740 1.656 3.352 1.00 0.00 O ATOM 220 CB TYR A 14 0.088 -1.105 4.669 1.00 0.00 C ATOM 221 CG TYR A 14 -0.590 -0.072 5.501 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.857 0.369 5.148 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.043 0.416 6.646 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.503 1.296 5.931 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.595 1.368 7.438 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.869 1.813 7.086 1.00 0.00 C ATOM 227 OH TYR A 14 -2.512 2.758 7.869 1.00 0.00 O ATOM 0 H TYR A 14 1.040 -2.558 3.148 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.023 0.054 2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.629 -1.876 4.386 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.867 -1.594 5.254 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.335 -0.015 4.259 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.025 0.056 6.917 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.495 1.630 5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.106 1.759 8.318 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.474 2.739 7.681 1.00 0.00 H new ATOM 237 N GLU A 15 2.790 0.105 4.526 1.00 0.00 N ATOM 238 CA GLU A 15 3.899 1.035 4.905 1.00 0.00 C ATOM 239 C GLU A 15 4.601 1.566 3.643 1.00 0.00 C ATOM 240 O GLU A 15 4.851 2.744 3.555 1.00 0.00 O ATOM 241 CB GLU A 15 4.849 0.214 5.785 1.00 0.00 C ATOM 242 CG GLU A 15 4.190 -0.118 7.142 1.00 0.00 C ATOM 243 CD GLU A 15 3.862 1.171 7.912 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.782 1.930 8.189 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.699 1.381 8.207 1.00 0.00 O ATOM 0 H GLU A 15 2.882 -0.844 4.889 1.00 0.00 H new ATOM 0 HA GLU A 15 3.538 1.911 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.121 -0.709 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.771 0.771 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.278 -0.693 6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.859 -0.742 7.735 1.00 0.00 H new ATOM 252 N ILE A 16 4.857 0.726 2.641 1.00 0.00 N ATOM 253 CA ILE A 16 5.479 1.229 1.350 1.00 0.00 C ATOM 254 C ILE A 16 4.614 2.381 0.803 1.00 0.00 C ATOM 255 O ILE A 16 5.120 3.432 0.442 1.00 0.00 O ATOM 256 CB ILE A 16 5.518 -0.006 0.402 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.856 -0.723 0.622 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.380 0.388 -1.079 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.670 -2.229 0.546 1.00 0.00 C ATOM 0 H ILE A 16 4.663 -0.275 2.663 1.00 0.00 H new ATOM 0 HA ILE A 16 6.485 1.630 1.471 1.00 0.00 H new ATOM 0 HB ILE A 16 4.674 -0.654 0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.576 -0.401 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.267 -0.450 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.413 -0.508 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.430 0.900 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.199 1.052 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.629 -2.722 0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.966 -2.548 1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.281 -2.498 -0.436 1.00 0.00 H new ATOM 271 N LEU A 17 3.314 2.187 0.787 1.00 0.00 N ATOM 272 CA LEU A 17 2.364 3.264 0.321 1.00 0.00 C ATOM 273 C LEU A 17 2.331 4.451 1.319 1.00 0.00 C ATOM 274 O LEU A 17 2.239 5.596 0.918 1.00 0.00 O ATOM 275 CB LEU A 17 0.973 2.606 0.285 1.00 0.00 C ATOM 276 CG LEU A 17 0.939 1.488 -0.752 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.170 0.306 -0.222 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.187 1.913 -1.978 1.00 0.00 C ATOM 0 H LEU A 17 2.862 1.321 1.079 1.00 0.00 H new ATOM 0 HA LEU A 17 2.673 3.656 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.728 2.206 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.216 3.354 0.048 1.00 0.00 H new ATOM 0 HG LEU A 17 1.977 1.245 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.154 -0.484 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.650 -0.064 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.852 0.610 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.178 1.097 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.837 2.168 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.673 2.783 -2.419 1.00 0.00 H new ATOM 290 N HIS A 18 2.373 4.168 2.613 1.00 0.00 N ATOM 291 CA HIS A 18 2.304 5.255 3.659 1.00 0.00 C ATOM 292 C HIS A 18 3.636 6.023 3.833 1.00 0.00 C ATOM 293 O HIS A 18 3.621 7.143 4.315 1.00 0.00 O ATOM 294 CB HIS A 18 1.954 4.552 4.987 1.00 0.00 C ATOM 295 CG HIS A 18 0.481 4.266 5.057 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.461 5.228 5.411 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.249 3.143 4.781 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.669 4.637 5.316 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.572 3.416 4.933 1.00 0.00 N ATOM 0 H HIS A 18 2.453 3.223 2.989 1.00 0.00 H new ATOM 0 HA HIS A 18 1.564 5.995 3.353 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.516 3.622 5.072 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.249 5.181 5.827 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.162 2.188 4.488 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.604 5.131 5.535 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.345 2.770 4.772 1.00 0.00 H new ATOM 307 N LEU A 19 4.784 5.436 3.485 1.00 0.00 N ATOM 308 CA LEU A 19 6.106 6.150 3.677 1.00 0.00 C ATOM 309 C LEU A 19 6.078 7.522 2.965 1.00 0.00 C ATOM 310 O LEU A 19 5.818 7.591 1.773 1.00 0.00 O ATOM 311 CB LEU A 19 7.197 5.243 3.067 1.00 0.00 C ATOM 312 CG LEU A 19 7.525 4.059 4.006 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.357 3.027 3.234 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.325 4.532 5.235 1.00 0.00 C ATOM 0 H LEU A 19 4.855 4.502 3.081 1.00 0.00 H new ATOM 0 HA LEU A 19 6.304 6.334 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.861 4.864 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.099 5.827 2.884 1.00 0.00 H new ATOM 0 HG LEU A 19 6.589 3.619 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.594 2.188 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.788 2.669 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.282 3.490 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.542 3.679 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.260 4.987 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.740 5.265 5.790 1.00 0.00 H new ATOM 326 N PRO A 20 6.313 8.579 3.736 1.00 0.00 N ATOM 327 CA PRO A 20 6.277 9.978 3.194 1.00 0.00 C ATOM 328 C PRO A 20 7.359 10.279 2.134 1.00 0.00 C ATOM 329 O PRO A 20 7.208 11.228 1.381 1.00 0.00 O ATOM 330 CB PRO A 20 6.479 10.848 4.438 1.00 0.00 C ATOM 331 CG PRO A 20 7.181 9.962 5.408 1.00 0.00 C ATOM 332 CD PRO A 20 6.639 8.582 5.177 1.00 0.00 C ATOM 0 HA PRO A 20 5.343 10.162 2.663 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.072 11.734 4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.526 11.196 4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.259 9.989 5.251 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.000 10.285 6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.373 7.815 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.758 8.389 5.789 1.00 0.00 H new ATOM 340 N ASN A 21 8.437 9.512 2.049 1.00 0.00 N ATOM 341 CA ASN A 21 9.487 9.815 1.018 1.00 0.00 C ATOM 342 C ASN A 21 9.549 8.713 -0.061 1.00 0.00 C ATOM 343 O ASN A 21 10.420 8.744 -0.915 1.00 0.00 O ATOM 344 CB ASN A 21 10.806 9.932 1.795 1.00 0.00 C ATOM 345 CG ASN A 21 10.713 11.093 2.797 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.877 12.240 2.431 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.449 10.844 4.052 1.00 0.00 N ATOM 0 H ASN A 21 8.627 8.704 2.641 1.00 0.00 H new ATOM 0 HA ASN A 21 9.267 10.735 0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.014 9.000 2.321 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.633 10.099 1.105 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.381 11.611 4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.311 9.882 4.363 1.00 0.00 H new ATOM 354 N LEU A 22 8.608 7.768 -0.068 1.00 0.00 N ATOM 355 CA LEU A 22 8.612 6.719 -1.134 1.00 0.00 C ATOM 356 C LEU A 22 7.851 7.248 -2.347 1.00 0.00 C ATOM 357 O LEU A 22 6.771 7.806 -2.225 1.00 0.00 O ATOM 358 CB LEU A 22 7.918 5.460 -0.563 1.00 0.00 C ATOM 359 CG LEU A 22 8.915 4.514 0.161 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.490 3.063 -0.062 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.337 4.672 -0.376 1.00 0.00 C ATOM 0 H LEU A 22 7.854 7.691 0.615 1.00 0.00 H new ATOM 0 HA LEU A 22 9.627 6.469 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.137 5.763 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.430 4.918 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 22 8.903 4.774 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.188 2.397 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.488 2.912 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.490 2.844 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.004 3.994 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.352 4.436 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.670 5.699 -0.227 1.00 0.00 H new ATOM 373 N ASN A 23 8.418 7.068 -3.508 1.00 0.00 N ATOM 374 CA ASN A 23 7.761 7.552 -4.769 1.00 0.00 C ATOM 375 C ASN A 23 7.229 6.373 -5.581 1.00 0.00 C ATOM 376 O ASN A 23 7.275 5.238 -5.147 1.00 0.00 O ATOM 377 CB ASN A 23 8.830 8.336 -5.564 1.00 0.00 C ATOM 378 CG ASN A 23 10.156 7.559 -5.646 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.246 6.566 -6.330 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.190 7.967 -4.961 1.00 0.00 N ATOM 0 H ASN A 23 9.316 6.603 -3.645 1.00 0.00 H new ATOM 0 HA ASN A 23 6.909 8.193 -4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.462 8.536 -6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.002 9.302 -5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.067 7.449 -5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.120 8.804 -4.382 1.00 0.00 H new ATOM 387 N GLU A 24 6.720 6.644 -6.755 1.00 0.00 N ATOM 388 CA GLU A 24 6.167 5.550 -7.624 1.00 0.00 C ATOM 389 C GLU A 24 7.273 4.553 -8.022 1.00 0.00 C ATOM 390 O GLU A 24 7.019 3.377 -8.140 1.00 0.00 O ATOM 391 CB GLU A 24 5.562 6.258 -8.858 1.00 0.00 C ATOM 392 CG GLU A 24 6.659 6.893 -9.730 1.00 0.00 C ATOM 393 CD GLU A 24 6.016 7.726 -10.843 1.00 0.00 C ATOM 394 OE1 GLU A 24 5.651 7.150 -11.855 1.00 0.00 O ATOM 395 OE2 GLU A 24 5.898 8.928 -10.662 1.00 0.00 O ATOM 0 H GLU A 24 6.661 7.580 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 24 5.411 4.963 -7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.994 5.540 -9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.862 7.028 -8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.305 7.523 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.289 6.116 -10.162 1.00 0.00 H new ATOM 402 N GLU A 25 8.501 4.998 -8.205 1.00 0.00 N ATOM 403 CA GLU A 25 9.592 4.035 -8.570 1.00 0.00 C ATOM 404 C GLU A 25 9.862 3.079 -7.390 1.00 0.00 C ATOM 405 O GLU A 25 9.891 1.873 -7.563 1.00 0.00 O ATOM 406 CB GLU A 25 10.822 4.903 -8.880 1.00 0.00 C ATOM 407 CG GLU A 25 11.971 4.024 -9.398 1.00 0.00 C ATOM 408 CD GLU A 25 13.223 4.884 -9.614 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.778 5.355 -8.632 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.607 5.056 -10.758 1.00 0.00 O ATOM 0 H GLU A 25 8.789 5.973 -8.118 1.00 0.00 H new ATOM 0 HA GLU A 25 9.329 3.413 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.566 5.657 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.137 5.435 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.183 3.228 -8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.682 3.544 -10.333 1.00 0.00 H new ATOM 417 N GLN A 26 10.039 3.613 -6.193 1.00 0.00 N ATOM 418 CA GLN A 26 10.310 2.741 -4.996 1.00 0.00 C ATOM 419 C GLN A 26 9.044 2.024 -4.510 1.00 0.00 C ATOM 420 O GLN A 26 9.042 0.814 -4.384 1.00 0.00 O ATOM 421 CB GLN A 26 10.858 3.673 -3.897 1.00 0.00 C ATOM 422 CG GLN A 26 12.167 4.354 -4.353 1.00 0.00 C ATOM 423 CD GLN A 26 13.133 3.344 -5.001 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.366 2.271 -4.477 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.705 3.640 -6.131 1.00 0.00 N ATOM 0 H GLN A 26 10.007 4.613 -5.997 1.00 0.00 H new ATOM 0 HA GLN A 26 11.022 1.956 -5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.114 4.432 -3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.039 3.101 -2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.937 5.147 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.651 4.824 -3.497 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.516 4.537 -6.579 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.342 2.975 -6.570 1.00 0.00 H new ATOM 434 N ARG A 27 7.983 2.753 -4.219 1.00 0.00 N ATOM 435 CA ARG A 27 6.721 2.111 -3.705 1.00 0.00 C ATOM 436 C ARG A 27 6.136 1.069 -4.686 1.00 0.00 C ATOM 437 O ARG A 27 5.782 -0.022 -4.277 1.00 0.00 O ATOM 438 CB ARG A 27 5.706 3.255 -3.544 1.00 0.00 C ATOM 439 CG ARG A 27 4.353 2.703 -3.088 1.00 0.00 C ATOM 440 CD ARG A 27 3.288 3.786 -3.230 1.00 0.00 C ATOM 441 NE ARG A 27 3.074 3.937 -4.708 1.00 0.00 N ATOM 442 CZ ARG A 27 3.175 5.112 -5.297 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.141 5.946 -4.976 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.311 5.448 -6.225 1.00 0.00 N ATOM 0 H ARG A 27 7.938 3.767 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 27 6.935 1.582 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.075 3.978 -2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.591 3.784 -4.490 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.083 1.832 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.414 2.372 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.365 3.499 -2.726 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.618 4.723 -2.782 1.00 0.00 H new ATOM 0 HE ARG A 27 2.846 3.115 -5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.823 5.686 -4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.208 6.852 -5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.567 4.802 -6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.383 6.356 -6.685 1.00 0.00 H new ATOM 458 N ASN A 28 6.001 1.408 -5.960 1.00 0.00 N ATOM 459 CA ASN A 28 5.394 0.431 -6.943 1.00 0.00 C ATOM 460 C ASN A 28 6.326 -0.768 -7.126 1.00 0.00 C ATOM 461 O ASN A 28 5.871 -1.898 -7.157 1.00 0.00 O ATOM 462 CB ASN A 28 5.213 1.174 -8.278 1.00 0.00 C ATOM 463 CG ASN A 28 4.398 2.473 -8.120 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.877 2.770 -7.064 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.265 3.269 -9.144 1.00 0.00 N ATOM 0 H ASN A 28 6.281 2.305 -6.356 1.00 0.00 H new ATOM 0 HA ASN A 28 4.435 0.061 -6.580 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.192 1.411 -8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.713 0.519 -8.991 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.728 4.131 -9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.698 3.030 -10.036 1.00 0.00 H new ATOM 472 N ALA A 29 7.632 -0.534 -7.199 1.00 0.00 N ATOM 473 CA ALA A 29 8.604 -1.676 -7.323 1.00 0.00 C ATOM 474 C ALA A 29 8.482 -2.576 -6.095 1.00 0.00 C ATOM 475 O ALA A 29 8.561 -3.785 -6.193 1.00 0.00 O ATOM 476 CB ALA A 29 9.975 -1.039 -7.336 1.00 0.00 C ATOM 0 H ALA A 29 8.056 0.393 -7.178 1.00 0.00 H new ATOM 0 HA ALA A 29 8.420 -2.276 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.736 -1.815 -7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.051 -0.357 -8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.128 -0.485 -6.410 1.00 0.00 H new ATOM 482 N PHE A 30 8.263 -1.977 -4.940 1.00 0.00 N ATOM 483 CA PHE A 30 8.091 -2.764 -3.686 1.00 0.00 C ATOM 484 C PHE A 30 6.857 -3.614 -3.780 1.00 0.00 C ATOM 485 O PHE A 30 6.884 -4.767 -3.450 1.00 0.00 O ATOM 486 CB PHE A 30 7.944 -1.736 -2.572 1.00 0.00 C ATOM 487 CG PHE A 30 9.312 -1.240 -2.170 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.442 -2.060 -2.336 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.452 0.027 -1.614 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.683 -1.621 -1.942 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.710 0.471 -1.227 1.00 0.00 C ATOM 492 CZ PHE A 30 11.825 -0.366 -1.390 1.00 0.00 C ATOM 0 H PHE A 30 8.197 -0.966 -4.821 1.00 0.00 H new ATOM 0 HA PHE A 30 8.933 -3.432 -3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.327 -0.903 -2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.439 -2.181 -1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.334 -3.041 -2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.588 0.662 -1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.546 -2.259 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.830 1.457 -0.802 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.802 -0.024 -1.081 1.00 0.00 H new ATOM 502 N ILE A 31 5.794 -3.053 -4.276 1.00 0.00 N ATOM 503 CA ILE A 31 4.541 -3.831 -4.458 1.00 0.00 C ATOM 504 C ILE A 31 4.803 -4.965 -5.476 1.00 0.00 C ATOM 505 O ILE A 31 4.210 -6.019 -5.374 1.00 0.00 O ATOM 506 CB ILE A 31 3.517 -2.783 -4.903 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.304 -1.824 -3.725 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.200 -3.442 -5.262 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.636 -0.546 -4.186 1.00 0.00 C ATOM 0 H ILE A 31 5.739 -2.077 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 31 4.171 -4.342 -3.569 1.00 0.00 H new ATOM 0 HB ILE A 31 3.880 -2.254 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.690 -2.306 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.263 -1.592 -3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.486 -2.681 -5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.357 -4.149 -6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.809 -3.970 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.495 0.119 -3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.264 -0.055 -4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.667 -0.780 -4.627 1.00 0.00 H new ATOM 521 N GLN A 32 5.742 -4.785 -6.409 1.00 0.00 N ATOM 522 CA GLN A 32 6.086 -5.893 -7.367 1.00 0.00 C ATOM 523 C GLN A 32 6.901 -6.973 -6.624 1.00 0.00 C ATOM 524 O GLN A 32 6.557 -8.137 -6.654 1.00 0.00 O ATOM 525 CB GLN A 32 6.910 -5.244 -8.494 1.00 0.00 C ATOM 526 CG GLN A 32 6.001 -4.340 -9.338 1.00 0.00 C ATOM 527 CD GLN A 32 6.829 -3.609 -10.399 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.258 -2.494 -10.187 1.00 0.00 O ATOM 529 NE2 GLN A 32 7.072 -4.192 -11.543 1.00 0.00 N ATOM 0 H GLN A 32 6.273 -3.924 -6.538 1.00 0.00 H new ATOM 0 HA GLN A 32 5.201 -6.379 -7.777 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.729 -4.661 -8.071 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.358 -6.015 -9.121 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.225 -4.937 -9.818 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.497 -3.617 -8.697 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.713 -5.129 -11.724 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.621 -3.710 -12.255 1.00 0.00 H new ATOM 538 N SER A 33 7.947 -6.575 -5.916 1.00 0.00 N ATOM 539 CA SER A 33 8.782 -7.551 -5.115 1.00 0.00 C ATOM 540 C SER A 33 7.987 -8.132 -3.920 1.00 0.00 C ATOM 541 O SER A 33 8.265 -9.221 -3.459 1.00 0.00 O ATOM 542 CB SER A 33 9.989 -6.740 -4.623 1.00 0.00 C ATOM 543 OG SER A 33 9.546 -5.537 -4.011 1.00 0.00 O ATOM 0 H SER A 33 8.261 -5.606 -5.859 1.00 0.00 H new ATOM 0 HA SER A 33 9.081 -8.407 -5.719 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.568 -7.329 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.650 -6.511 -5.459 1.00 0.00 H new ATOM 0 HG SER A 33 8.577 -5.578 -3.874 1.00 0.00 H new ATOM 549 N LEU A 34 7.022 -7.393 -3.417 1.00 0.00 N ATOM 550 CA LEU A 34 6.200 -7.842 -2.242 1.00 0.00 C ATOM 551 C LEU A 34 5.079 -8.817 -2.670 1.00 0.00 C ATOM 552 O LEU A 34 4.926 -9.870 -2.078 1.00 0.00 O ATOM 553 CB LEU A 34 5.635 -6.523 -1.690 1.00 0.00 C ATOM 554 CG LEU A 34 4.875 -6.732 -0.387 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.848 -6.919 0.755 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.030 -5.501 -0.109 1.00 0.00 C ATOM 0 H LEU A 34 6.764 -6.476 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 34 6.776 -8.398 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.451 -5.819 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.971 -6.075 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 34 4.245 -7.617 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.296 -7.068 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.473 -7.790 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.477 -6.034 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.481 -5.639 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.677 -4.628 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.325 -5.351 -0.927 1.00 0.00 H new ATOM 568 N LYS A 35 4.302 -8.473 -3.690 1.00 0.00 N ATOM 569 CA LYS A 35 3.189 -9.384 -4.158 1.00 0.00 C ATOM 570 C LYS A 35 3.783 -10.643 -4.816 1.00 0.00 C ATOM 571 O LYS A 35 3.224 -11.719 -4.694 1.00 0.00 O ATOM 572 CB LYS A 35 2.328 -8.559 -5.150 1.00 0.00 C ATOM 573 CG LYS A 35 1.021 -8.124 -4.476 1.00 0.00 C ATOM 574 CD LYS A 35 -0.177 -8.641 -5.272 1.00 0.00 C ATOM 575 CE LYS A 35 -0.289 -7.880 -6.598 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.753 -7.763 -6.870 1.00 0.00 N ATOM 0 H LYS A 35 4.392 -7.603 -4.215 1.00 0.00 H new ATOM 0 HA LYS A 35 2.570 -9.730 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.883 -7.683 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.109 -9.155 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.983 -8.508 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.981 -7.037 -4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.065 -9.708 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.091 -8.516 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.176 -6.897 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.218 -8.415 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.900 -7.456 -7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.208 -8.687 -6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.172 -7.065 -6.223 1.00 0.00 H new ATOM 590 N ASP A 36 4.918 -10.524 -5.483 1.00 0.00 N ATOM 591 CA ASP A 36 5.560 -11.726 -6.117 1.00 0.00 C ATOM 592 C ASP A 36 6.370 -12.528 -5.067 1.00 0.00 C ATOM 593 O ASP A 36 6.373 -13.746 -5.098 1.00 0.00 O ATOM 594 CB ASP A 36 6.478 -11.179 -7.233 1.00 0.00 C ATOM 595 CG ASP A 36 5.669 -10.460 -8.347 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.457 -10.637 -8.427 1.00 0.00 O ATOM 597 OD2 ASP A 36 6.287 -9.744 -9.115 1.00 0.00 O ATOM 0 H ASP A 36 5.423 -9.647 -5.613 1.00 0.00 H new ATOM 0 HA ASP A 36 4.817 -12.412 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.199 -10.484 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.047 -12.000 -7.670 1.00 0.00 H new ATOM 602 N ASP A 37 7.045 -11.855 -4.136 1.00 0.00 N ATOM 603 CA ASP A 37 7.846 -12.579 -3.083 1.00 0.00 C ATOM 604 C ASP A 37 7.320 -12.244 -1.664 1.00 0.00 C ATOM 605 O ASP A 37 7.595 -11.173 -1.141 1.00 0.00 O ATOM 606 CB ASP A 37 9.292 -12.091 -3.259 1.00 0.00 C ATOM 607 CG ASP A 37 10.255 -13.095 -2.612 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.370 -13.079 -1.394 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.856 -13.863 -3.341 1.00 0.00 O ATOM 0 H ASP A 37 7.070 -10.838 -4.067 1.00 0.00 H new ATOM 0 HA ASP A 37 7.770 -13.661 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.523 -11.981 -4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.413 -11.109 -2.802 1.00 0.00 H new ATOM 614 N PRO A 38 6.574 -13.175 -1.088 1.00 0.00 N ATOM 615 CA PRO A 38 5.999 -12.982 0.283 1.00 0.00 C ATOM 616 C PRO A 38 7.070 -12.991 1.399 1.00 0.00 C ATOM 617 O PRO A 38 6.936 -12.281 2.379 1.00 0.00 O ATOM 618 CB PRO A 38 5.062 -14.183 0.436 1.00 0.00 C ATOM 619 CG PRO A 38 5.616 -15.222 -0.476 1.00 0.00 C ATOM 620 CD PRO A 38 6.184 -14.483 -1.648 1.00 0.00 C ATOM 0 HA PRO A 38 5.510 -12.013 0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.037 -14.535 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.039 -13.923 0.163 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.385 -15.810 0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.839 -15.917 -0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.040 -15.007 -2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.449 -14.373 -2.445 1.00 0.00 H new ATOM 628 N SER A 39 8.104 -13.806 1.274 1.00 0.00 N ATOM 629 CA SER A 39 9.167 -13.889 2.348 1.00 0.00 C ATOM 630 C SER A 39 9.967 -12.585 2.491 1.00 0.00 C ATOM 631 O SER A 39 10.317 -12.204 3.597 1.00 0.00 O ATOM 632 CB SER A 39 10.094 -15.039 1.932 1.00 0.00 C ATOM 633 OG SER A 39 9.351 -16.252 1.880 1.00 0.00 O ATOM 0 H SER A 39 8.259 -14.419 0.473 1.00 0.00 H new ATOM 0 HA SER A 39 8.704 -14.058 3.320 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.537 -14.829 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.915 -15.133 2.642 1.00 0.00 H new ATOM 0 HG SER A 39 8.934 -16.418 2.751 1.00 0.00 H new ATOM 639 N GLN A 40 10.257 -11.895 1.404 1.00 0.00 N ATOM 640 CA GLN A 40 11.034 -10.613 1.509 1.00 0.00 C ATOM 641 C GLN A 40 10.118 -9.426 1.874 1.00 0.00 C ATOM 642 O GLN A 40 10.578 -8.311 1.912 1.00 0.00 O ATOM 643 CB GLN A 40 11.657 -10.394 0.117 1.00 0.00 C ATOM 644 CG GLN A 40 12.903 -9.502 0.231 1.00 0.00 C ATOM 645 CD GLN A 40 14.091 -10.328 0.745 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.249 -10.507 1.935 1.00 0.00 O ATOM 647 NE2 GLN A 40 14.937 -10.843 -0.108 1.00 0.00 N ATOM 0 H GLN A 40 9.990 -12.164 0.457 1.00 0.00 H new ATOM 0 HA GLN A 40 11.787 -10.675 2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.926 -11.353 -0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.928 -9.931 -0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.142 -9.070 -0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.706 -8.671 0.909 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.807 -10.694 -1.109 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.727 -11.394 0.227 1.00 0.00 H new ATOM 656 N SER A 41 8.830 -9.644 2.118 1.00 0.00 N ATOM 657 CA SER A 41 7.903 -8.501 2.434 1.00 0.00 C ATOM 658 C SER A 41 8.389 -7.638 3.609 1.00 0.00 C ATOM 659 O SER A 41 8.398 -6.426 3.493 1.00 0.00 O ATOM 660 CB SER A 41 6.544 -9.142 2.756 1.00 0.00 C ATOM 661 OG SER A 41 6.641 -9.944 3.931 1.00 0.00 O ATOM 0 H SER A 41 8.389 -10.564 2.110 1.00 0.00 H new ATOM 0 HA SER A 41 7.850 -7.818 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.793 -8.365 2.899 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.215 -9.754 1.916 1.00 0.00 H new ATOM 0 HG SER A 41 6.757 -10.883 3.677 1.00 0.00 H new ATOM 667 N ALA A 42 8.808 -8.219 4.720 1.00 0.00 N ATOM 668 CA ALA A 42 9.313 -7.353 5.847 1.00 0.00 C ATOM 669 C ALA A 42 10.555 -6.596 5.383 1.00 0.00 C ATOM 670 O ALA A 42 10.654 -5.400 5.559 1.00 0.00 O ATOM 671 CB ALA A 42 9.710 -8.277 6.965 1.00 0.00 C ATOM 0 H ALA A 42 8.823 -9.224 4.892 1.00 0.00 H new ATOM 0 HA ALA A 42 8.550 -6.641 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.083 -7.692 7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.844 -8.857 7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.492 -8.953 6.618 1.00 0.00 H new ATOM 677 N ASN A 43 11.487 -7.303 4.752 1.00 0.00 N ATOM 678 CA ASN A 43 12.720 -6.647 4.207 1.00 0.00 C ATOM 679 C ASN A 43 12.303 -5.551 3.242 1.00 0.00 C ATOM 680 O ASN A 43 12.915 -4.523 3.195 1.00 0.00 O ATOM 681 CB ASN A 43 13.467 -7.715 3.418 1.00 0.00 C ATOM 682 CG ASN A 43 14.703 -8.189 4.194 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.792 -8.210 3.657 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.582 -8.578 5.437 1.00 0.00 N ATOM 0 H ASN A 43 11.436 -8.310 4.596 1.00 0.00 H new ATOM 0 HA ASN A 43 13.333 -6.226 5.004 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.807 -8.560 3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.769 -7.316 2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.401 -8.898 5.953 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.668 -8.561 5.890 1.00 0.00 H new ATOM 691 N LEU A 44 11.246 -5.789 2.483 1.00 0.00 N ATOM 692 CA LEU A 44 10.741 -4.768 1.517 1.00 0.00 C ATOM 693 C LEU A 44 10.268 -3.557 2.252 1.00 0.00 C ATOM 694 O LEU A 44 10.574 -2.453 1.858 1.00 0.00 O ATOM 695 CB LEU A 44 9.604 -5.415 0.763 1.00 0.00 C ATOM 696 CG LEU A 44 10.211 -6.331 -0.269 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.090 -7.077 -0.963 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.022 -5.475 -1.245 1.00 0.00 C ATOM 0 H LEU A 44 10.713 -6.659 2.499 1.00 0.00 H new ATOM 0 HA LEU A 44 11.525 -4.445 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.962 -5.975 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.980 -4.659 0.286 1.00 0.00 H new ATOM 0 HG LEU A 44 10.879 -7.066 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.509 -7.746 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.532 -7.659 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.422 -6.363 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.472 -6.116 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.365 -4.750 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.807 -4.949 -0.702 1.00 0.00 H new ATOM 710 N LEU A 45 9.575 -3.742 3.347 1.00 0.00 N ATOM 711 CA LEU A 45 9.185 -2.547 4.121 1.00 0.00 C ATOM 712 C LEU A 45 10.456 -1.944 4.721 1.00 0.00 C ATOM 713 O LEU A 45 10.644 -0.763 4.667 1.00 0.00 O ATOM 714 CB LEU A 45 8.223 -2.998 5.194 1.00 0.00 C ATOM 715 CG LEU A 45 8.011 -1.860 6.190 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.707 -0.544 5.441 1.00 0.00 C ATOM 717 CD2 LEU A 45 6.861 -2.239 7.109 1.00 0.00 C ATOM 0 H LEU A 45 9.275 -4.642 3.722 1.00 0.00 H new ATOM 0 HA LEU A 45 8.699 -1.789 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.272 -3.288 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.616 -3.876 5.706 1.00 0.00 H new ATOM 0 HG LEU A 45 8.914 -1.702 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.558 0.259 6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.544 -0.295 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.804 -0.666 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.692 -1.439 7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.958 -2.391 6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.107 -3.159 7.639 1.00 0.00 H new ATOM 729 N ALA A 46 11.343 -2.761 5.259 1.00 0.00 N ATOM 730 CA ALA A 46 12.633 -2.218 5.819 1.00 0.00 C ATOM 731 C ALA A 46 13.388 -1.435 4.747 1.00 0.00 C ATOM 732 O ALA A 46 13.834 -0.346 5.004 1.00 0.00 O ATOM 733 CB ALA A 46 13.469 -3.433 6.176 1.00 0.00 C ATOM 0 H ALA A 46 11.231 -3.772 5.334 1.00 0.00 H new ATOM 0 HA ALA A 46 12.441 -1.562 6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.424 -3.109 6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.939 -4.035 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.646 -4.029 5.281 1.00 0.00 H new ATOM 739 N GLU A 47 13.517 -1.982 3.546 1.00 0.00 N ATOM 740 CA GLU A 47 14.221 -1.245 2.453 1.00 0.00 C ATOM 741 C GLU A 47 13.358 -0.054 2.035 1.00 0.00 C ATOM 742 O GLU A 47 13.882 1.006 1.773 1.00 0.00 O ATOM 743 CB GLU A 47 14.517 -2.229 1.305 1.00 0.00 C ATOM 744 CG GLU A 47 13.276 -2.862 0.733 1.00 0.00 C ATOM 745 CD GLU A 47 13.697 -4.059 -0.131 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.929 -3.868 -1.312 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.799 -5.149 0.411 1.00 0.00 O ATOM 0 H GLU A 47 13.163 -2.903 3.287 1.00 0.00 H new ATOM 0 HA GLU A 47 15.180 -0.844 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.048 -1.703 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.182 -3.012 1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.612 -3.187 1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.722 -2.138 0.135 1.00 0.00 H new ATOM 754 N ALA A 48 12.035 -0.189 2.035 1.00 0.00 N ATOM 755 CA ALA A 48 11.173 0.981 1.727 1.00 0.00 C ATOM 756 C ALA A 48 11.327 2.045 2.825 1.00 0.00 C ATOM 757 O ALA A 48 11.368 3.226 2.544 1.00 0.00 O ATOM 758 CB ALA A 48 9.769 0.413 1.745 1.00 0.00 C ATOM 0 H ALA A 48 11.537 -1.056 2.235 1.00 0.00 H new ATOM 0 HA ALA A 48 11.423 1.458 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.053 1.205 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.684 -0.370 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.558 -0.005 2.729 1.00 0.00 H new ATOM 764 N LYS A 49 11.457 1.613 4.070 1.00 0.00 N ATOM 765 CA LYS A 49 11.662 2.559 5.205 1.00 0.00 C ATOM 766 C LYS A 49 13.093 3.098 5.122 1.00 0.00 C ATOM 767 O LYS A 49 13.351 4.266 5.339 1.00 0.00 O ATOM 768 CB LYS A 49 11.418 1.711 6.452 1.00 0.00 C ATOM 769 CG LYS A 49 9.980 1.960 6.899 1.00 0.00 C ATOM 770 CD LYS A 49 9.427 0.711 7.553 1.00 0.00 C ATOM 771 CE LYS A 49 9.879 0.681 9.005 1.00 0.00 C ATOM 772 NZ LYS A 49 9.132 -0.447 9.636 1.00 0.00 N ATOM 0 H LYS A 49 11.428 0.630 4.339 1.00 0.00 H new ATOM 0 HA LYS A 49 11.002 3.426 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.575 0.655 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.118 1.981 7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.946 2.795 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.365 2.237 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.339 0.705 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.779 -0.178 7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.956 0.527 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.658 1.625 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.398 -0.522 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.110 -0.271 9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.367 -1.335 9.148 1.00 0.00 H new ATOM 786 N LYS A 50 13.996 2.235 4.707 1.00 0.00 N ATOM 787 CA LYS A 50 15.421 2.613 4.468 1.00 0.00 C ATOM 788 C LYS A 50 15.436 3.682 3.359 1.00 0.00 C ATOM 789 O LYS A 50 16.173 4.649 3.424 1.00 0.00 O ATOM 790 CB LYS A 50 16.057 1.276 4.020 1.00 0.00 C ATOM 791 CG LYS A 50 17.317 1.462 3.166 1.00 0.00 C ATOM 792 CD LYS A 50 17.423 0.276 2.191 1.00 0.00 C ATOM 793 CE LYS A 50 17.876 -0.984 2.948 1.00 0.00 C ATOM 794 NZ LYS A 50 18.130 -2.013 1.893 1.00 0.00 N ATOM 0 H LYS A 50 13.791 1.253 4.520 1.00 0.00 H new ATOM 0 HA LYS A 50 15.955 3.037 5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.308 0.687 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.323 0.704 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.267 2.402 2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.202 1.511 3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.459 0.098 1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.133 0.509 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.776 -0.789 3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.110 -1.319 3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.442 -2.899 2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.255 -2.185 1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.870 -1.672 1.246 1.00 0.00 H new ATOM 808 N LEU A 51 14.572 3.518 2.363 1.00 0.00 N ATOM 809 CA LEU A 51 14.455 4.516 1.254 1.00 0.00 C ATOM 810 C LEU A 51 13.769 5.782 1.765 1.00 0.00 C ATOM 811 O LEU A 51 14.109 6.875 1.370 1.00 0.00 O ATOM 812 CB LEU A 51 13.556 3.850 0.204 1.00 0.00 C ATOM 813 CG LEU A 51 14.369 3.222 -0.931 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.674 2.603 -0.423 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.528 2.128 -1.559 1.00 0.00 C ATOM 0 H LEU A 51 13.941 2.721 2.282 1.00 0.00 H new ATOM 0 HA LEU A 51 15.431 4.794 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.948 3.082 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.870 4.590 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 51 14.623 4.002 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.221 2.168 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.284 3.374 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.448 1.825 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.085 1.663 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.288 1.376 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.605 2.557 -1.950 1.00 0.00 H new ATOM 827 N ASN A 52 12.800 5.623 2.642 1.00 0.00 N ATOM 828 CA ASN A 52 12.060 6.787 3.208 1.00 0.00 C ATOM 829 C ASN A 52 13.035 7.771 3.869 1.00 0.00 C ATOM 830 O ASN A 52 12.896 8.963 3.718 1.00 0.00 O ATOM 831 CB ASN A 52 11.107 6.188 4.244 1.00 0.00 C ATOM 832 CG ASN A 52 10.141 7.259 4.738 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.271 7.686 4.012 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.266 7.719 5.949 1.00 0.00 N ATOM 0 H ASN A 52 12.490 4.716 2.991 1.00 0.00 H new ATOM 0 HA ASN A 52 11.524 7.346 2.441 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.552 5.359 3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.674 5.783 5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.630 8.441 6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.000 7.358 6.559 1.00 0.00 H new ATOM 841 N ASP A 53 14.025 7.272 4.580 1.00 0.00 N ATOM 842 CA ASP A 53 15.031 8.179 5.239 1.00 0.00 C ATOM 843 C ASP A 53 16.162 8.554 4.262 1.00 0.00 C ATOM 844 O ASP A 53 16.608 9.688 4.240 1.00 0.00 O ATOM 845 CB ASP A 53 15.593 7.392 6.428 1.00 0.00 C ATOM 846 CG ASP A 53 14.481 7.115 7.452 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.032 8.059 8.083 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.099 5.964 7.583 1.00 0.00 O ATOM 0 H ASP A 53 14.181 6.276 4.733 1.00 0.00 H new ATOM 0 HA ASP A 53 14.567 9.113 5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.021 6.451 6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.399 7.955 6.898 1.00 0.00 H new ATOM 853 N ALA A 54 16.625 7.607 3.458 1.00 0.00 N ATOM 854 CA ALA A 54 17.731 7.903 2.476 1.00 0.00 C ATOM 855 C ALA A 54 17.245 8.910 1.421 1.00 0.00 C ATOM 856 O ALA A 54 17.861 9.941 1.218 1.00 0.00 O ATOM 857 CB ALA A 54 18.071 6.556 1.830 1.00 0.00 C ATOM 0 H ALA A 54 16.283 6.646 3.442 1.00 0.00 H new ATOM 0 HA ALA A 54 18.603 8.346 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.870 6.693 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.397 5.856 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.188 6.160 1.329 1.00 0.00 H new ATOM 863 N GLN A 55 16.120 8.629 0.784 1.00 0.00 N ATOM 864 CA GLN A 55 15.543 9.582 -0.230 1.00 0.00 C ATOM 865 C GLN A 55 15.080 10.879 0.464 1.00 0.00 C ATOM 866 O GLN A 55 15.070 11.934 -0.145 1.00 0.00 O ATOM 867 CB GLN A 55 14.345 8.870 -0.868 1.00 0.00 C ATOM 868 CG GLN A 55 14.816 7.639 -1.657 1.00 0.00 C ATOM 869 CD GLN A 55 13.635 7.061 -2.437 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.698 6.929 -3.642 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.550 6.719 -1.796 1.00 0.00 N ATOM 0 H GLN A 55 15.577 7.777 0.925 1.00 0.00 H new ATOM 0 HA GLN A 55 16.285 9.854 -0.981 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.639 8.567 -0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.817 9.555 -1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.619 7.915 -2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.220 6.889 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.499 6.831 -0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.753 6.340 -2.308 1.00 0.00 H new ATOM 880 N ALA A 56 14.691 10.795 1.735 1.00 0.00 N ATOM 881 CA ALA A 56 14.219 12.008 2.488 1.00 0.00 C ATOM 882 C ALA A 56 15.297 13.096 2.554 1.00 0.00 C ATOM 883 O ALA A 56 16.478 12.817 2.403 1.00 0.00 O ATOM 884 CB ALA A 56 13.919 11.544 3.916 1.00 0.00 C ATOM 0 H ALA A 56 14.684 9.930 2.276 1.00 0.00 H new ATOM 0 HA ALA A 56 13.350 12.432 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.571 12.390 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.147 10.775 3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.825 11.136 4.364 1.00 0.00 H new ATOM 1014 N ASN B 6 0.857 -5.427 -9.727 1.00 0.00 N ATOM 1015 CA ASN B 6 1.440 -4.536 -8.668 1.00 0.00 C ATOM 1016 C ASN B 6 1.243 -3.061 -9.054 1.00 0.00 C ATOM 1017 O ASN B 6 1.151 -2.194 -8.200 1.00 0.00 O ATOM 1018 CB ASN B 6 2.923 -4.912 -8.589 1.00 0.00 C ATOM 1019 CG ASN B 6 3.073 -6.446 -8.524 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.574 -7.074 -7.620 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.727 -7.077 -9.465 1.00 0.00 N ATOM 0 HA ASN B 6 0.957 -4.665 -7.700 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.453 -4.523 -9.458 1.00 0.00 H new ATOM 0 HB3 ASN B 6 3.376 -4.456 -7.709 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.813 -8.093 -9.433 1.00 0.00 H new ATOM 0 HD22 ASN B 6 4.151 -6.553 -10.231 1.00 0.00 H new ATOM 1028 N LYS B 7 1.130 -2.793 -10.340 1.00 0.00 N ATOM 1029 CA LYS B 7 0.879 -1.399 -10.848 1.00 0.00 C ATOM 1030 C LYS B 7 -0.462 -0.888 -10.329 1.00 0.00 C ATOM 1031 O LYS B 7 -0.633 0.287 -10.059 1.00 0.00 O ATOM 1032 CB LYS B 7 0.805 -1.540 -12.365 1.00 0.00 C ATOM 1033 CG LYS B 7 2.187 -1.886 -12.938 1.00 0.00 C ATOM 1034 CD LYS B 7 2.120 -1.903 -14.466 1.00 0.00 C ATOM 1035 CE LYS B 7 3.474 -2.347 -15.036 1.00 0.00 C ATOM 1036 NZ LYS B 7 3.331 -2.261 -16.521 1.00 0.00 N ATOM 0 H LYS B 7 1.203 -3.498 -11.073 1.00 0.00 H new ATOM 0 HA LYS B 7 1.653 -0.703 -10.525 1.00 0.00 H new ATOM 0 HB2 LYS B 7 0.089 -2.318 -12.630 1.00 0.00 H new ATOM 0 HB3 LYS B 7 0.444 -0.611 -12.806 1.00 0.00 H new ATOM 0 HG2 LYS B 7 2.923 -1.155 -12.604 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.512 -2.858 -12.567 1.00 0.00 H new ATOM 0 HD2 LYS B 7 1.334 -2.581 -14.798 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.864 -0.912 -14.840 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.279 -1.703 -14.682 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.717 -3.363 -14.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 4.222 -2.551 -16.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.564 -2.890 -16.833 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 3.108 -1.282 -16.792 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.411 -1.780 -10.201 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.760 -1.398 -9.703 1.00 0.00 C ATOM 1052 C GLU B 8 -2.699 -0.974 -8.234 1.00 0.00 C ATOM 1053 O GLU B 8 -3.389 -0.064 -7.847 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.645 -2.639 -9.904 1.00 0.00 C ATOM 1055 CG GLU B 8 -3.256 -3.727 -8.898 1.00 0.00 C ATOM 1056 CD GLU B 8 -4.217 -4.934 -8.938 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -5.349 -4.792 -9.384 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -3.803 -5.981 -8.484 1.00 0.00 O ATOM 0 H GLU B 8 -1.303 -2.769 -10.424 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.164 -0.541 -10.242 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -4.694 -2.372 -9.777 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.533 -3.015 -10.921 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.242 -4.066 -9.108 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.249 -3.304 -7.893 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.847 -1.585 -7.432 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.735 -1.143 -6.005 1.00 0.00 C ATOM 1067 C LEU B 9 -0.889 0.133 -5.954 1.00 0.00 C ATOM 1068 O LEU B 9 -0.981 0.907 -5.023 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.052 -2.232 -5.170 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.535 -3.648 -5.524 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.451 -4.656 -5.073 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.870 -3.896 -4.785 1.00 0.00 C ATOM 0 H LEU B 9 -1.237 -2.356 -7.702 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.730 -0.957 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.026 -2.174 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.239 -2.043 -4.113 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.697 -3.765 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.773 -5.669 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.484 -4.440 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.300 -4.570 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.235 -4.896 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.712 -3.810 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.605 -3.157 -5.104 1.00 0.00 H new ATOM 1084 N SER B 10 -0.090 0.367 -6.978 1.00 0.00 N ATOM 1085 CA SER B 10 0.725 1.602 -7.040 1.00 0.00 C ATOM 1086 C SER B 10 -0.256 2.789 -7.139 1.00 0.00 C ATOM 1087 O SER B 10 -0.156 3.754 -6.402 1.00 0.00 O ATOM 1088 CB SER B 10 1.568 1.431 -8.323 1.00 0.00 C ATOM 1089 OG SER B 10 1.543 2.621 -9.111 1.00 0.00 O ATOM 0 H SER B 10 0.023 -0.260 -7.774 1.00 0.00 H new ATOM 0 HA SER B 10 1.371 1.779 -6.180 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.597 1.187 -8.057 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.183 0.595 -8.907 1.00 0.00 H new ATOM 0 HG SER B 10 1.947 2.443 -9.986 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.229 2.682 -8.037 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.253 3.767 -8.219 1.00 0.00 C ATOM 1097 C VAL B 11 -3.379 3.625 -7.178 1.00 0.00 C ATOM 1098 O VAL B 11 -3.669 4.553 -6.448 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.800 3.582 -9.650 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.693 4.769 -10.024 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.637 3.481 -10.654 1.00 0.00 C ATOM 0 H VAL B 11 -1.351 1.878 -8.653 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.823 4.759 -8.081 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.384 2.662 -9.685 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.076 4.632 -11.035 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.527 4.831 -9.325 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.112 5.690 -9.978 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.035 3.351 -11.660 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.042 4.393 -10.615 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.009 2.627 -10.399 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.005 2.459 -7.109 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.115 2.230 -6.119 1.00 0.00 C ATOM 1113 C ALA B 12 -4.604 2.363 -4.694 1.00 0.00 C ATOM 1114 O ALA B 12 -5.149 3.097 -3.902 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.614 0.792 -6.362 1.00 0.00 C ATOM 0 H ALA B 12 -3.790 1.656 -7.701 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.910 2.965 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.425 0.566 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.976 0.701 -7.386 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.795 0.091 -6.203 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.555 1.659 -4.384 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.965 1.684 -3.023 1.00 0.00 C ATOM 1123 C GLY B 13 -2.524 3.079 -2.632 1.00 0.00 C ATOM 1124 O GLY B 13 -2.909 3.568 -1.589 1.00 0.00 O ATOM 0 H GLY B 13 -3.068 1.048 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.696 1.317 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.111 1.007 -2.983 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.679 3.698 -3.428 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.165 5.049 -3.042 1.00 0.00 C ATOM 1130 C ARG B 14 -2.305 6.092 -2.861 1.00 0.00 C ATOM 1131 O ARG B 14 -2.260 6.889 -1.944 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.189 5.496 -4.126 1.00 0.00 C ATOM 1133 CG ARG B 14 0.615 6.686 -3.590 1.00 0.00 C ATOM 1134 CD ARG B 14 1.694 6.189 -2.622 1.00 0.00 C ATOM 1135 NE ARG B 14 1.693 7.138 -1.475 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.648 8.027 -1.354 1.00 0.00 C ATOM 1137 NH1 ARG B 14 2.474 9.239 -1.821 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.773 7.698 -0.762 1.00 0.00 N ATOM 0 H ARG B 14 -1.330 3.331 -4.313 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.669 4.980 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.479 4.678 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.729 5.779 -5.030 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.076 7.227 -4.416 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -0.048 7.386 -3.082 1.00 0.00 H new ATOM 0 HD2 ARG B 14 1.479 5.174 -2.288 1.00 0.00 H new ATOM 0 HD3 ARG B 14 2.670 6.165 -3.106 1.00 0.00 H new ATOM 0 HE ARG B 14 0.947 7.096 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG B 14 1.597 9.489 -2.277 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.216 9.933 -1.728 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.901 6.754 -0.399 1.00 0.00 H new ATOM 0 HH22 ARG B 14 4.519 8.387 -0.666 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.323 6.093 -3.702 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.447 7.092 -3.516 1.00 0.00 C ATOM 1154 C GLU B 15 -5.235 6.756 -2.231 1.00 0.00 C ATOM 1155 O GLU B 15 -5.519 7.626 -1.427 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.335 6.961 -4.757 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.621 7.558 -5.976 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.534 7.477 -7.203 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.411 8.318 -7.325 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.342 6.575 -7.997 1.00 0.00 O ATOM 0 H GLU B 15 -3.427 5.460 -4.495 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.078 8.112 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.568 5.912 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.283 7.474 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.352 8.596 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.693 7.019 -6.166 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.532 5.482 -2.030 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.254 4.988 -0.792 1.00 0.00 C ATOM 1169 C ILE B 16 -5.444 5.310 0.476 1.00 0.00 C ATOM 1170 O ILE B 16 -5.996 5.547 1.537 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.317 3.453 -0.996 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.314 3.129 -2.121 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.769 2.743 0.283 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.195 1.665 -2.555 1.00 0.00 C ATOM 0 H ILE B 16 -5.297 4.742 -2.692 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.233 5.451 -0.666 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.318 3.103 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.330 3.330 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.129 3.781 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.804 1.667 0.109 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.065 2.958 1.087 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.761 3.097 0.565 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -7.911 1.462 -3.352 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.185 1.474 -2.918 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.404 1.015 -1.705 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.145 5.275 0.360 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.243 5.527 1.519 1.00 0.00 C ATOM 1188 C VAL B 17 -2.949 7.036 1.731 1.00 0.00 C ATOM 1189 O VAL B 17 -2.413 7.401 2.764 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.993 4.705 1.140 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -1.048 5.465 0.236 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.262 4.231 2.361 1.00 0.00 C ATOM 0 H VAL B 17 -3.659 5.077 -0.514 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.669 5.234 2.478 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.356 3.840 0.585 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.187 4.839 0.001 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.564 5.733 -0.686 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.712 6.371 0.740 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.387 3.655 2.060 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -0.946 5.090 2.952 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -1.922 3.602 2.959 1.00 0.00 H new ATOM 1202 N THR B 18 -3.260 7.910 0.773 1.00 0.00 N ATOM 1203 CA THR B 18 -2.944 9.379 0.963 1.00 0.00 C ATOM 1204 C THR B 18 -4.151 10.328 0.810 1.00 0.00 C ATOM 1205 O THR B 18 -3.939 11.532 0.798 1.00 0.00 O ATOM 1206 CB THR B 18 -1.897 9.731 -0.108 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.445 9.546 -1.410 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.670 8.850 0.063 1.00 0.00 C ATOM 0 H THR B 18 -3.709 7.672 -0.111 1.00 0.00 H new ATOM 0 HA THR B 18 -2.599 9.519 1.987 1.00 0.00 H new ATOM 0 HB THR B 18 -1.610 10.776 0.009 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.371 8.603 -1.665 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.068 9.103 -0.698 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.242 9.011 1.052 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.956 7.803 -0.043 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.391 9.862 0.686 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.511 10.876 0.533 1.00 0.00 C ATOM 1218 C LEU B 19 -6.610 11.791 1.792 1.00 0.00 C ATOM 1219 O LEU B 19 -6.236 11.390 2.883 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.814 10.140 0.193 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.105 8.969 1.124 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.579 9.015 1.447 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.797 7.646 0.416 1.00 0.00 C ATOM 0 H LEU B 19 -5.666 8.880 0.684 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.300 11.552 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.644 10.845 0.237 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.760 9.775 -0.833 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.493 9.037 2.024 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.831 8.191 2.114 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.815 9.961 1.934 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.156 8.927 0.527 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.008 6.815 1.089 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.418 7.557 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.746 7.623 0.130 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.003 13.038 1.548 1.00 0.00 N ATOM 1236 CA PRO B 20 -7.019 14.108 2.608 1.00 0.00 C ATOM 1237 C PRO B 20 -8.048 13.929 3.740 1.00 0.00 C ATOM 1238 O PRO B 20 -7.741 14.225 4.883 1.00 0.00 O ATOM 1239 CB PRO B 20 -7.323 15.382 1.817 1.00 0.00 C ATOM 1240 CG PRO B 20 -8.041 14.918 0.592 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.498 13.556 0.260 1.00 0.00 C ATOM 0 HA PRO B 20 -6.071 14.101 3.146 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -7.938 16.069 2.398 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -6.407 15.914 1.559 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -9.116 14.873 0.767 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -7.881 15.610 -0.235 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.271 12.911 -0.158 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.699 13.616 -0.479 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.254 13.493 3.453 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.283 13.356 4.560 1.00 0.00 C ATOM 1251 C ASN B 21 -10.199 12.000 5.281 1.00 0.00 C ATOM 1252 O ASN B 21 -11.046 11.692 6.107 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.650 13.459 3.892 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.903 14.834 3.261 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.077 15.727 3.308 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.051 15.039 2.682 1.00 0.00 N ATOM 0 H ASN B 21 -9.575 13.228 2.522 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.108 14.130 5.307 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.732 12.691 3.123 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.426 13.255 4.630 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.258 15.948 2.268 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.743 14.291 2.643 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.218 11.184 4.973 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.120 9.850 5.624 1.00 0.00 C ATOM 1265 C LEU B 22 -8.009 9.812 6.670 1.00 0.00 C ATOM 1266 O LEU B 22 -7.079 10.603 6.645 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.768 8.902 4.492 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.471 7.558 4.666 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.938 7.660 4.224 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.745 6.516 3.813 1.00 0.00 C ATOM 0 H LEU B 22 -8.483 11.390 4.297 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.046 9.594 6.140 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.055 9.346 3.539 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.689 8.751 4.462 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.449 7.267 5.716 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.425 6.694 4.354 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.449 8.409 4.829 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.982 7.950 3.174 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.235 5.549 3.925 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.775 6.818 2.766 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.708 6.438 4.139 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.093 8.852 7.548 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.032 8.668 8.597 1.00 0.00 C ATOM 1284 C ASN B 23 -6.456 7.235 8.507 1.00 0.00 C ATOM 1285 O ASN B 23 -6.959 6.408 7.762 1.00 0.00 O ATOM 1286 CB ASN B 23 -7.687 8.994 9.964 1.00 0.00 C ATOM 1287 CG ASN B 23 -8.835 8.035 10.320 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.266 7.247 9.517 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -9.354 8.079 11.517 1.00 0.00 N ATOM 0 H ASN B 23 -8.856 8.177 7.590 1.00 0.00 H new ATOM 0 HA ASN B 23 -6.182 9.336 8.456 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -6.928 8.950 10.745 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -8.066 10.016 9.945 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -10.117 7.450 11.765 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -8.996 8.743 12.204 1.00 0.00 H new ATOM 1296 N ASP B 24 -5.371 6.965 9.211 1.00 0.00 N ATOM 1297 CA ASP B 24 -4.682 5.618 9.131 1.00 0.00 C ATOM 1298 C ASP B 24 -5.608 4.365 9.242 1.00 0.00 C ATOM 1299 O ASP B 24 -5.348 3.418 8.527 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.560 5.616 10.200 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.114 5.697 11.628 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.403 6.798 12.071 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.221 4.658 12.259 1.00 0.00 O ATOM 0 H ASP B 24 -4.926 7.628 9.846 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.281 5.512 8.123 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -2.964 4.710 10.095 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -2.892 6.459 10.024 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.635 4.346 10.105 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.500 3.124 10.207 1.00 0.00 C ATOM 1310 C PRO B 25 -8.326 2.850 8.925 1.00 0.00 C ATOM 1311 O PRO B 25 -8.530 1.696 8.581 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.416 3.423 11.393 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.451 4.909 11.479 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.097 5.391 11.040 1.00 0.00 C ATOM 0 HA PRO B 25 -6.899 2.224 10.336 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.413 3.012 11.236 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -8.030 2.982 12.312 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.234 5.317 10.840 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.668 5.234 12.496 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.158 6.364 10.553 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.418 5.499 11.886 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.797 3.872 8.210 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.599 3.595 6.959 1.00 0.00 C ATOM 1324 C GLN B 26 -8.666 3.045 5.883 1.00 0.00 C ATOM 1325 O GLN B 26 -8.872 1.948 5.395 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.216 4.922 6.486 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.029 5.610 7.592 1.00 0.00 C ATOM 1328 CD GLN B 26 -11.941 4.628 8.333 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.647 3.843 7.731 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -11.954 4.655 9.635 1.00 0.00 N ATOM 0 H GLN B 26 -8.662 4.858 8.436 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.386 2.866 7.155 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.423 5.591 6.151 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.860 4.735 5.627 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -10.349 6.079 8.303 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.633 6.406 7.156 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.360 5.315 10.137 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -12.558 4.016 10.152 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.626 3.796 5.532 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.635 3.315 4.496 1.00 0.00 C ATOM 1341 C LYS B 27 -6.110 1.937 4.874 1.00 0.00 C ATOM 1342 O LYS B 27 -5.931 1.099 4.022 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.477 4.323 4.411 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.031 4.873 5.774 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.430 6.266 5.562 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.532 7.291 5.208 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.090 7.962 3.947 1.00 0.00 N ATOM 0 H LYS B 27 -7.425 4.718 5.920 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.124 3.239 3.525 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.626 3.844 3.927 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.778 5.155 3.775 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.879 4.926 6.457 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.296 4.209 6.229 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.908 6.583 6.465 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.690 6.230 4.762 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.493 6.796 5.069 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -5.660 8.017 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.371 8.963 3.970 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.056 7.894 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -5.536 7.496 3.131 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.902 1.696 6.148 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.430 0.349 6.603 1.00 0.00 C ATOM 1363 C LYS B 28 -6.423 -0.734 6.138 1.00 0.00 C ATOM 1364 O LYS B 28 -6.036 -1.769 5.624 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.472 0.387 8.143 1.00 0.00 C ATOM 1366 CG LYS B 28 -4.066 0.321 8.705 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.608 -1.136 8.787 1.00 0.00 C ATOM 1368 CE LYS B 28 -2.072 -1.212 8.742 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.577 -0.576 10.003 1.00 0.00 N ATOM 0 H LYS B 28 -6.040 2.377 6.894 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.439 0.127 6.207 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.963 1.300 8.479 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.062 -0.449 8.519 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.385 0.891 8.073 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -4.039 0.777 9.695 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.975 -1.589 9.708 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -4.032 -1.706 7.960 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.737 -2.247 8.672 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.683 -0.691 7.867 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -1.059 0.296 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -2.385 -0.346 10.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.943 -1.235 10.498 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.709 -0.478 6.350 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.783 -1.454 5.972 1.00 0.00 C ATOM 1385 C ALA B 29 -8.803 -1.733 4.463 1.00 0.00 C ATOM 1386 O ALA B 29 -8.832 -2.889 4.069 1.00 0.00 O ATOM 1387 CB ALA B 29 -10.102 -0.805 6.411 1.00 0.00 C ATOM 0 H ALA B 29 -8.054 0.382 6.776 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.614 -2.418 6.453 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.933 -1.466 6.164 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -10.082 -0.633 7.487 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -10.229 0.146 5.894 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.776 -0.714 3.605 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.789 -1.029 2.132 1.00 0.00 C ATOM 1395 C PHE B 30 -7.383 -1.388 1.624 1.00 0.00 C ATOM 1396 O PHE B 30 -7.281 -2.183 0.725 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.370 0.123 1.263 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.872 1.334 2.005 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -8.980 2.331 2.353 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.240 1.501 2.250 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.441 3.502 2.951 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.698 2.661 2.861 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.801 3.669 3.210 1.00 0.00 C ATOM 0 H PHE B 30 -8.747 0.275 3.853 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.449 -1.890 2.025 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.599 0.446 0.564 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.191 -0.278 0.669 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.925 2.202 2.161 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.939 0.729 1.964 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.743 4.283 3.215 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.751 2.782 3.066 1.00 0.00 H new ATOM 0 HZ PHE B 30 -11.157 4.575 3.678 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.297 -0.833 2.161 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.937 -1.227 1.623 1.00 0.00 C ATOM 1415 C ILE B 31 -4.719 -2.743 1.823 1.00 0.00 C ATOM 1416 O ILE B 31 -4.320 -3.430 0.904 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.831 -0.436 2.372 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.737 1.021 1.829 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.465 -1.153 2.162 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.288 1.421 1.641 1.00 0.00 C ATOM 0 H ILE B 31 -6.294 -0.151 2.919 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.888 -0.994 0.559 1.00 0.00 H new ATOM 0 HB ILE B 31 -4.078 -0.398 3.433 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.268 1.097 0.880 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.223 1.707 2.523 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.682 -0.604 2.685 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.522 -2.168 2.556 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.233 -1.190 1.098 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.239 2.441 1.261 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.768 1.364 2.597 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.813 0.746 0.929 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.961 -3.254 3.023 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.750 -4.724 3.278 1.00 0.00 C ATOM 1434 C PHE B 32 -5.695 -5.554 2.383 1.00 0.00 C ATOM 1435 O PHE B 32 -5.268 -6.530 1.793 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.997 -4.950 4.788 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.723 -4.656 5.578 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -3.048 -3.405 5.454 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.176 -5.652 6.425 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.876 -3.189 6.160 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.994 -5.404 7.106 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.353 -4.183 6.976 1.00 0.00 C ATOM 0 H PHE B 32 -5.292 -2.719 3.826 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.740 -5.047 3.026 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.805 -4.305 5.133 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.313 -5.978 4.963 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.448 -2.632 4.814 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.678 -6.601 6.540 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.366 -2.241 6.075 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.570 -6.168 7.742 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.435 -4.002 7.516 1.00 0.00 H new ATOM 1452 N SER B 33 -6.950 -5.145 2.217 1.00 0.00 N ATOM 1453 CA SER B 33 -7.874 -5.899 1.284 1.00 0.00 C ATOM 1454 C SER B 33 -7.418 -5.672 -0.182 1.00 0.00 C ATOM 1455 O SER B 33 -7.498 -6.563 -0.996 1.00 0.00 O ATOM 1456 CB SER B 33 -9.292 -5.363 1.538 1.00 0.00 C ATOM 1457 OG SER B 33 -9.368 -3.991 1.200 1.00 0.00 O ATOM 0 H SER B 33 -7.365 -4.336 2.680 1.00 0.00 H new ATOM 0 HA SER B 33 -7.854 -6.974 1.461 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.013 -5.930 0.949 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.558 -5.501 2.586 1.00 0.00 H new ATOM 0 HG SER B 33 -8.469 -3.602 1.209 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.879 -4.495 -0.490 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.326 -4.197 -1.865 1.00 0.00 C ATOM 1465 C LEU B 34 -5.110 -5.104 -2.106 1.00 0.00 C ATOM 1466 O LEU B 34 -4.886 -5.569 -3.204 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.933 -2.694 -1.814 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.000 -2.257 -2.948 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.814 -1.967 -4.221 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.266 -0.974 -2.522 1.00 0.00 C ATOM 0 H LEU B 34 -6.800 -3.720 0.168 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.028 -4.383 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.840 -2.090 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.450 -2.487 -0.859 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.285 -3.054 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.141 -1.657 -5.021 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.348 -2.868 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.531 -1.170 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.599 -0.654 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.994 -0.188 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.684 -1.170 -1.621 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.345 -5.362 -1.066 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.153 -6.244 -1.191 1.00 0.00 C ATOM 1484 C TRP B 35 -3.552 -7.729 -1.350 1.00 0.00 C ATOM 1485 O TRP B 35 -3.115 -8.392 -2.275 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.373 -6.063 0.111 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.150 -6.876 -0.027 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.917 -8.038 0.602 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.033 -6.642 -0.904 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.288 -8.533 0.170 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.884 -7.694 -0.750 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.272 -5.614 -1.803 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.068 -7.724 -1.467 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.461 -5.639 -2.526 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.356 -6.685 -2.358 1.00 0.00 C ATOM 0 H TRP B 35 -4.505 -4.991 -0.129 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.571 -5.980 -2.074 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.127 -5.014 0.275 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.963 -6.389 0.967 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.568 -8.505 1.326 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.693 -9.413 0.490 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.420 -4.796 -1.937 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.762 -8.541 -1.340 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.687 -4.842 -3.219 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.280 -6.697 -2.918 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.343 -8.252 -0.428 1.00 0.00 N ATOM 1507 CA ASP B 36 -4.751 -9.695 -0.476 1.00 0.00 C ATOM 1508 C ASP B 36 -5.747 -9.938 -1.607 1.00 0.00 C ATOM 1509 O ASP B 36 -5.647 -10.922 -2.322 1.00 0.00 O ATOM 1510 CB ASP B 36 -5.402 -9.984 0.886 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.205 -11.458 1.250 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -6.022 -12.267 0.840 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -4.235 -11.753 1.932 1.00 0.00 O ATOM 0 H ASP B 36 -4.724 -7.730 0.361 1.00 0.00 H new ATOM 0 HA ASP B 36 -3.898 -10.347 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -4.960 -9.348 1.653 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.465 -9.748 0.849 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.705 -9.046 -1.773 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.706 -9.218 -2.855 1.00 0.00 C ATOM 1520 C ASP B 37 -7.828 -7.936 -3.700 1.00 0.00 C ATOM 1521 O ASP B 37 -8.843 -7.254 -3.656 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.022 -9.568 -2.143 1.00 0.00 C ATOM 1523 CG ASP B 37 -8.967 -11.019 -1.651 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.184 -11.907 -2.460 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -8.695 -11.217 -0.477 1.00 0.00 O ATOM 0 H ASP B 37 -6.826 -8.211 -1.200 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.422 -10.003 -3.556 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.183 -8.894 -1.302 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.863 -9.435 -2.824 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.794 -7.669 -4.489 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.788 -6.488 -5.409 1.00 0.00 C ATOM 1532 C PRO B 38 -7.851 -6.590 -6.525 1.00 0.00 C ATOM 1533 O PRO B 38 -7.965 -5.689 -7.331 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.403 -6.524 -6.022 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.988 -7.949 -5.906 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.529 -8.411 -4.594 1.00 0.00 C ATOM 0 HA PRO B 38 -7.020 -5.568 -4.872 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -5.419 -6.198 -7.062 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.716 -5.865 -5.492 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -5.388 -8.543 -6.728 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.903 -8.047 -5.940 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.689 -9.489 -4.579 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.853 -8.177 -3.772 1.00 0.00 H new ATOM 1544 N SER B 39 -8.636 -7.662 -6.587 1.00 0.00 N ATOM 1545 CA SER B 39 -9.706 -7.769 -7.646 1.00 0.00 C ATOM 1546 C SER B 39 -10.631 -6.543 -7.534 1.00 0.00 C ATOM 1547 O SER B 39 -11.108 -6.019 -8.525 1.00 0.00 O ATOM 1548 CB SER B 39 -10.475 -9.054 -7.320 1.00 0.00 C ATOM 1549 OG SER B 39 -10.766 -9.749 -8.527 1.00 0.00 O ATOM 0 H SER B 39 -8.578 -8.458 -5.952 1.00 0.00 H new ATOM 0 HA SER B 39 -9.303 -7.798 -8.658 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.885 -9.686 -6.657 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.399 -8.815 -6.793 1.00 0.00 H new ATOM 0 HG SER B 39 -11.256 -10.572 -8.321 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.836 -6.069 -6.315 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.676 -4.851 -6.071 1.00 0.00 C ATOM 1557 C GLN B 40 -10.789 -3.584 -6.039 1.00 0.00 C ATOM 1558 O GLN B 40 -11.178 -2.606 -5.463 1.00 0.00 O ATOM 1559 CB GLN B 40 -12.311 -5.041 -4.681 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.882 -6.450 -4.516 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.816 -6.489 -3.304 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.937 -6.941 -3.399 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.393 -6.028 -2.156 1.00 0.00 N ATOM 0 H GLN B 40 -10.447 -6.487 -5.470 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.421 -4.730 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.563 -4.857 -3.910 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -13.104 -4.307 -4.538 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -13.425 -6.740 -5.415 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.072 -7.168 -4.387 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.450 -5.648 -2.075 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.006 -6.049 -1.341 1.00 0.00 H new ATOM 1572 N SER B 41 -9.591 -3.606 -6.616 1.00 0.00 N ATOM 1573 CA SER B 41 -8.666 -2.403 -6.573 1.00 0.00 C ATOM 1574 C SER B 41 -9.357 -1.122 -7.067 1.00 0.00 C ATOM 1575 O SER B 41 -9.237 -0.084 -6.438 1.00 0.00 O ATOM 1576 CB SER B 41 -7.506 -2.768 -7.488 1.00 0.00 C ATOM 1577 OG SER B 41 -6.523 -1.742 -7.465 1.00 0.00 O ATOM 0 H SER B 41 -9.214 -4.411 -7.117 1.00 0.00 H new ATOM 0 HA SER B 41 -8.348 -2.190 -5.553 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.065 -3.712 -7.169 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.868 -2.913 -8.506 1.00 0.00 H new ATOM 0 HG SER B 41 -5.667 -2.102 -7.778 1.00 0.00 H new ATOM 1583 N ALA B 42 -10.105 -1.190 -8.157 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.839 0.028 -8.648 1.00 0.00 C ATOM 1585 C ALA B 42 -11.875 0.429 -7.586 1.00 0.00 C ATOM 1586 O ALA B 42 -11.990 1.587 -7.222 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.526 -0.391 -9.955 1.00 0.00 C ATOM 0 H ALA B 42 -10.235 -2.030 -8.720 1.00 0.00 H new ATOM 0 HA ALA B 42 -10.182 0.880 -8.820 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -12.079 0.455 -10.363 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.773 -0.714 -10.674 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -12.215 -1.212 -9.757 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.594 -0.550 -7.056 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.593 -0.294 -5.978 1.00 0.00 C ATOM 1595 C ASN B 43 -12.889 0.137 -4.669 1.00 0.00 C ATOM 1596 O ASN B 43 -13.463 0.852 -3.886 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.334 -1.626 -5.779 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.523 -1.428 -4.831 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.455 -1.790 -3.673 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.618 -0.865 -5.272 1.00 0.00 N ATOM 0 H ASN B 43 -12.520 -1.527 -7.338 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.275 0.513 -6.246 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.683 -2.004 -6.740 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.653 -2.373 -5.371 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.411 -0.731 -4.645 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.679 -0.560 -6.243 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.658 -0.308 -4.437 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.907 0.059 -3.184 1.00 0.00 C ATOM 1609 C LEU B 44 -10.503 1.522 -3.227 1.00 0.00 C ATOM 1610 O LEU B 44 -10.775 2.276 -2.316 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.684 -0.860 -3.189 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.037 -2.135 -2.438 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.329 -3.341 -3.068 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.601 -1.954 -0.988 1.00 0.00 C ATOM 0 H LEU B 44 -11.143 -0.916 -5.074 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.501 -0.066 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.389 -1.092 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.836 -0.365 -2.717 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.110 -2.322 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.592 -4.245 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.641 -3.444 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.250 -3.192 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.841 -2.853 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.526 -1.777 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.124 -1.102 -0.554 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.899 1.913 -4.313 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.506 3.340 -4.529 1.00 0.00 C ATOM 1628 C LEU B 45 -10.755 4.216 -4.386 1.00 0.00 C ATOM 1629 O LEU B 45 -10.734 5.240 -3.722 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.953 3.377 -5.969 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.762 4.820 -6.450 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.072 5.649 -5.368 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.907 4.811 -7.716 1.00 0.00 C ATOM 0 H LEU B 45 -9.654 1.289 -5.082 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.768 3.707 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.001 2.848 -6.010 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.637 2.855 -6.638 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.735 5.264 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.942 6.672 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.684 5.652 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.097 5.216 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.765 5.833 -8.067 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.937 4.365 -7.497 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.408 4.229 -8.489 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.852 3.780 -4.969 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.131 4.530 -4.846 1.00 0.00 C ATOM 1647 C ALA B 46 -13.623 4.457 -3.389 1.00 0.00 C ATOM 1648 O ALA B 46 -14.033 5.446 -2.829 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.101 3.802 -5.768 1.00 0.00 C ATOM 0 H ALA B 46 -11.908 2.928 -5.528 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.032 5.583 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.073 4.294 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.718 3.822 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.207 2.768 -5.441 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.543 3.281 -2.776 1.00 0.00 N ATOM 1656 CA GLU B 47 -13.958 3.100 -1.342 1.00 0.00 C ATOM 1657 C GLU B 47 -13.156 4.064 -0.454 1.00 0.00 C ATOM 1658 O GLU B 47 -13.670 4.610 0.494 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.603 1.639 -0.995 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.193 1.253 0.373 1.00 0.00 C ATOM 1661 CD GLU B 47 -13.772 -0.179 0.788 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -12.925 -0.779 0.126 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -14.304 -0.652 1.776 1.00 0.00 O ATOM 0 H GLU B 47 -13.201 2.431 -3.223 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.017 3.305 -1.187 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -13.989 0.972 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.520 1.515 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -13.860 1.965 1.128 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.280 1.317 0.333 1.00 0.00 H new ATOM 1670 N ALA B 48 -11.902 4.284 -0.798 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.029 5.225 -0.029 1.00 0.00 C ATOM 1672 C ALA B 48 -11.553 6.659 -0.195 1.00 0.00 C ATOM 1673 O ALA B 48 -11.812 7.341 0.778 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.623 5.067 -0.649 1.00 0.00 C ATOM 0 H ALA B 48 -11.444 3.840 -1.594 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.014 5.013 1.040 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.923 5.727 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.292 4.034 -0.542 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.660 5.328 -1.707 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.732 7.101 -1.431 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.262 8.489 -1.697 1.00 0.00 C ATOM 1682 C LYS B 49 -13.685 8.650 -1.128 1.00 0.00 C ATOM 1683 O LYS B 49 -13.986 9.634 -0.488 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.286 8.639 -3.229 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.858 8.582 -3.794 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.898 8.782 -5.313 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.526 8.442 -5.915 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.310 9.424 -7.020 1.00 0.00 N ATOM 0 H LYS B 49 -11.532 6.555 -2.269 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.640 9.248 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.890 7.846 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.754 9.585 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.242 9.353 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.400 7.622 -3.555 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.667 8.147 -5.753 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.164 9.813 -5.547 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.740 8.520 -5.164 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.507 7.419 -6.292 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.356 9.299 -7.414 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -10.017 9.267 -7.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.407 10.391 -6.649 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.554 7.685 -1.354 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.965 7.761 -0.822 1.00 0.00 C ATOM 1704 C LYS B 50 -15.966 7.746 0.717 1.00 0.00 C ATOM 1705 O LYS B 50 -16.710 8.483 1.341 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.682 6.518 -1.371 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.861 6.644 -2.891 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.541 5.384 -3.430 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.567 5.428 -4.963 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.784 4.014 -5.399 1.00 0.00 N ATOM 0 H LYS B 50 -14.346 6.841 -1.888 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.460 8.682 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.106 5.623 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.654 6.406 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.461 7.523 -3.126 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.893 6.782 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.006 4.497 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.557 5.312 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.365 6.077 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -16.632 5.822 -5.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.812 3.971 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.006 3.420 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.685 3.666 -5.014 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.130 6.919 1.324 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.063 6.851 2.824 1.00 0.00 C ATOM 1726 C LEU B 51 -14.524 8.176 3.403 1.00 0.00 C ATOM 1727 O LEU B 51 -14.979 8.616 4.445 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.143 5.659 3.148 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.301 5.261 4.622 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -13.921 3.788 4.812 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.417 6.134 5.512 1.00 0.00 C ATOM 0 H LEU B 51 -14.491 6.288 0.839 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.046 6.709 3.273 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.389 4.813 2.506 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.106 5.923 2.943 1.00 0.00 H new ATOM 0 HG LEU B 51 -15.343 5.407 4.907 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -14.036 3.515 5.861 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -14.572 3.163 4.201 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -12.885 3.638 4.510 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.543 5.837 6.553 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -12.374 6.009 5.223 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -13.703 7.179 5.396 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.585 8.829 2.724 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.036 10.148 3.219 1.00 0.00 C ATOM 1745 C ASN B 52 -14.190 11.148 3.458 1.00 0.00 C ATOM 1746 O ASN B 52 -14.126 11.969 4.350 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.032 10.595 2.112 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.511 11.758 1.200 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.657 11.875 0.841 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.637 12.618 0.768 1.00 0.00 N ATOM 0 H ASN B 52 -13.178 8.501 1.848 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.528 10.081 4.181 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.100 10.894 2.591 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.805 9.734 1.483 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.927 13.369 0.141 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.661 12.542 1.056 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.245 11.058 2.666 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.411 11.976 2.819 1.00 0.00 C ATOM 1759 C ASP B 53 -17.153 11.726 4.147 1.00 0.00 C ATOM 1760 O ASP B 53 -17.777 12.626 4.685 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.339 11.655 1.641 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.381 12.768 1.479 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.056 13.775 0.871 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.486 12.594 1.967 1.00 0.00 O ATOM 0 H ASP B 53 -15.339 10.375 1.914 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.089 13.017 2.829 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.757 11.554 0.725 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.837 10.700 1.809 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.101 10.508 4.671 1.00 0.00 N ATOM 1770 CA ALA B 54 -17.816 10.194 5.954 1.00 0.00 C ATOM 1771 C ALA B 54 -17.152 10.906 7.143 1.00 0.00 C ATOM 1772 O ALA B 54 -17.827 11.381 8.041 1.00 0.00 O ATOM 1773 CB ALA B 54 -17.715 8.673 6.091 1.00 0.00 C ATOM 0 H ALA B 54 -16.593 9.725 4.260 1.00 0.00 H new ATOM 0 HA ALA B 54 -18.851 10.536 5.944 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.214 8.356 7.007 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.193 8.198 5.234 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -16.666 8.380 6.130 1.00 0.00 H new ATOM 1779 N GLN B 55 -15.837 10.993 7.140 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.099 11.682 8.249 1.00 0.00 C ATOM 1781 C GLN B 55 -15.001 13.192 7.975 1.00 0.00 C ATOM 1782 O GLN B 55 -15.068 13.995 8.891 1.00 0.00 O ATOM 1783 CB GLN B 55 -13.715 11.024 8.246 1.00 0.00 C ATOM 1784 CG GLN B 55 -13.831 9.593 8.791 1.00 0.00 C ATOM 1785 CD GLN B 55 -12.542 8.832 8.499 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -11.964 8.226 9.379 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.062 8.839 7.288 1.00 0.00 N ATOM 0 H GLN B 55 -15.240 10.611 6.407 1.00 0.00 H new ATOM 0 HA GLN B 55 -15.597 11.584 9.214 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.310 11.008 7.234 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.023 11.603 8.858 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.017 9.615 9.865 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -14.678 9.085 8.331 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -12.548 9.348 6.550 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.200 8.335 7.078 1.00 0.00 H new ATOM 1796 N ALA B 56 -14.833 13.579 6.722 1.00 0.00 N ATOM 1797 CA ALA B 56 -14.718 15.030 6.363 1.00 0.00 C ATOM 1798 C ALA B 56 -15.456 15.324 5.042 1.00 0.00 C ATOM 1799 O ALA B 56 -15.569 14.455 4.206 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.220 15.257 6.197 1.00 0.00 C ATOM 0 H ALA B 56 -14.771 12.940 5.929 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.161 15.681 7.116 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.037 16.298 5.932 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -12.711 15.026 7.133 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -12.839 14.609 5.407 1.00 0.00 H new