USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 690 hydrogens (25 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 91 SER OG : rot 18:sc= 0.429 USER MOD Set 2.1: A 17 HIS : no HE2:sc= 1.01 K(o=4.3,f=-6.8!) USER MOD Set 2.2: A 64 LYS NZ :NH3+ 175:sc= 2.3 (180deg=1.03) USER MOD Set 2.3: A 65 ASN : amide:sc= 0.992 K(o=4.3,f=-8.8!) USER MOD Single : A 15 ASN : amide:sc= 1.14 K(o=1.1,f=-0.071) USER MOD Single : A 21 TYR OH : rot 53:sc= 1.35 USER MOD Single : A 22 GLN : amide:sc= 0.834 K(o=0.83,f=-1) USER MOD Single : A 23 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 30 GLN : amide:sc=-0.00764 K(o=-0.0076,f=-1.1) USER MOD Single : A 33 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.025) USER MOD Single : A 35 THR OG1 : rot 180:sc= -2.13! USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.0605 F(o=-0.72,f=-0.06) USER MOD Single : A 40 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=0) USER MOD Single : A 43 SER OG : rot 75:sc= -1.43! USER MOD Single : A 44 ASN : amide:sc= 0.292 K(o=0.29,f=-7.8!) USER MOD Single : A 47 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.7!) USER MOD Single : A 56 MET CE :methyl -172:sc= -0.42 (180deg=-0.678) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.589 F(o=-2.1!,f=0.59) USER MOD Single : A 70 THR OG1 : rot -65:sc= 0.885 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 134:sc= 0.849 USER MOD Single : A 84 ASN : amide:sc=-0.00753 K(o=-0.0075,f=-0.68) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl 178:sc= -3.74! (180deg=-3.77!) USER MOD Single : A 89 SER OG : rot 83:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -2.971 1.819 -4.409 1.00 64.10 N ATOM 2 CA ASP A 14 -2.432 0.810 -5.332 1.00 43.04 C ATOM 3 C ASP A 14 -2.760 -0.593 -4.825 1.00 22.50 C ATOM 4 O ASP A 14 -3.741 -1.184 -5.266 1.00 72.31 O ATOM 5 CB ASP A 14 -0.918 1.027 -5.522 1.00 30.33 C ATOM 6 CG ASP A 14 -0.232 1.197 -4.196 1.00 75.01 C ATOM 7 OD1 ASP A 14 -0.415 2.259 -3.601 1.00 65.14 O ATOM 8 OD2 ASP A 14 0.361 0.234 -3.705 1.00 1.14 O ATOM 0 HA ASP A 14 -2.901 0.917 -6.310 1.00 43.04 H new ATOM 0 HB2 ASP A 14 -0.488 0.177 -6.052 1.00 30.33 H new ATOM 0 HB3 ASP A 14 -0.747 1.908 -6.140 1.00 30.33 H new ATOM 13 N ASN A 15 -1.995 -1.092 -3.882 1.00 34.45 N ATOM 14 CA ASN A 15 -2.245 -2.375 -3.270 1.00 13.41 C ATOM 15 C ASN A 15 -3.396 -2.270 -2.295 1.00 60.01 C ATOM 16 O ASN A 15 -3.914 -1.175 -2.031 1.00 31.55 O ATOM 17 CB ASN A 15 -0.991 -2.898 -2.546 1.00 61.45 C ATOM 18 CG ASN A 15 0.120 -3.327 -3.488 1.00 24.10 C ATOM 19 OD1 ASN A 15 0.195 -4.485 -3.873 1.00 22.04 O ATOM 20 ND2 ASN A 15 0.968 -2.407 -3.886 1.00 2.13 N ATOM 0 H ASN A 15 -1.173 -0.613 -3.515 1.00 34.45 H new ATOM 0 HA ASN A 15 -2.504 -3.081 -4.059 1.00 13.41 H new ATOM 0 HB2 ASN A 15 -0.613 -2.120 -1.883 1.00 61.45 H new ATOM 0 HB3 ASN A 15 -1.270 -3.744 -1.918 1.00 61.45 H new ATOM 0 HD21 ASN A 15 1.716 -2.650 -4.535 1.00 2.13 H new ATOM 0 HD22 ASN A 15 0.878 -1.449 -3.546 1.00 2.13 H new ATOM 27 N ARG A 16 -3.805 -3.393 -1.775 1.00 22.54 N ATOM 28 CA ARG A 16 -4.897 -3.456 -0.822 1.00 1.44 C ATOM 29 C ARG A 16 -4.437 -4.317 0.319 1.00 51.03 C ATOM 30 O ARG A 16 -3.253 -4.429 0.524 1.00 3.02 O ATOM 31 CB ARG A 16 -6.179 -4.022 -1.485 1.00 71.32 C ATOM 32 CG ARG A 16 -6.691 -3.211 -2.679 1.00 42.44 C ATOM 33 CD ARG A 16 -7.829 -3.920 -3.415 1.00 20.34 C ATOM 34 NE ARG A 16 -9.100 -3.999 -2.643 1.00 33.12 N ATOM 35 CZ ARG A 16 -10.003 -5.019 -2.738 1.00 73.50 C ATOM 36 NH1 ARG A 16 -9.733 -6.095 -3.483 1.00 14.04 N ATOM 37 NH2 ARG A 16 -11.156 -4.981 -2.052 1.00 10.24 N ATOM 0 H ARG A 16 -3.393 -4.300 -1.996 1.00 22.54 H new ATOM 0 HA ARG A 16 -5.155 -2.461 -0.461 1.00 1.44 H new ATOM 0 HB2 ARG A 16 -5.982 -5.042 -1.813 1.00 71.32 H new ATOM 0 HB3 ARG A 16 -6.967 -4.075 -0.734 1.00 71.32 H new ATOM 0 HG2 ARG A 16 -7.036 -2.237 -2.333 1.00 42.44 H new ATOM 0 HG3 ARG A 16 -5.869 -3.030 -3.372 1.00 42.44 H new ATOM 0 HD2 ARG A 16 -8.019 -3.400 -4.354 1.00 20.34 H new ATOM 0 HD3 ARG A 16 -7.508 -4.930 -3.670 1.00 20.34 H new ATOM 0 HE ARG A 16 -9.311 -3.238 -1.998 1.00 33.12 H new ATOM 0 HH11 ARG A 16 -8.848 -6.158 -3.985 1.00 14.04 H new ATOM 0 HH12 ARG A 16 -10.412 -6.853 -3.549 1.00 14.04 H new ATOM 0 HH21 ARG A 16 -11.366 -4.184 -1.451 1.00 10.24 H new ATOM 0 HH22 ARG A 16 -11.822 -5.749 -2.132 1.00 10.24 H new ATOM 51 N HIS A 17 -5.360 -4.928 1.043 1.00 23.14 N ATOM 52 CA HIS A 17 -5.030 -5.803 2.174 1.00 54.33 C ATOM 53 C HIS A 17 -4.070 -6.927 1.908 1.00 53.44 C ATOM 54 O HIS A 17 -3.569 -7.535 2.820 1.00 54.12 O ATOM 55 CB HIS A 17 -6.152 -6.099 3.145 1.00 61.12 C ATOM 56 CG HIS A 17 -6.340 -4.962 4.097 1.00 75.13 C ATOM 57 ND1 HIS A 17 -5.510 -4.732 5.169 1.00 14.34 N ATOM 58 CD2 HIS A 17 -7.236 -3.956 4.102 1.00 53.11 C ATOM 59 CE1 HIS A 17 -5.918 -3.619 5.779 1.00 1.43 C ATOM 60 NE2 HIS A 17 -6.970 -3.106 5.166 1.00 63.33 N ATOM 0 H HIS A 17 -6.361 -4.837 0.870 1.00 23.14 H new ATOM 0 HA HIS A 17 -4.401 -5.135 2.762 1.00 54.33 H new ATOM 0 HB2 HIS A 17 -7.077 -6.277 2.596 1.00 61.12 H new ATOM 0 HB3 HIS A 17 -5.929 -7.011 3.699 1.00 61.12 H new ATOM 0 HD1 HIS A 17 -4.719 -5.312 5.449 1.00 14.34 H new ATOM 0 HD2 HIS A 17 -8.037 -3.831 3.389 1.00 53.11 H new ATOM 0 HE1 HIS A 17 -5.452 -3.194 6.656 1.00 1.43 H new ATOM 68 N ALA A 18 -3.873 -7.256 0.646 1.00 4.31 N ATOM 69 CA ALA A 18 -2.765 -8.122 0.252 1.00 30.34 C ATOM 70 C ALA A 18 -1.418 -7.566 0.762 1.00 71.35 C ATOM 71 O ALA A 18 -0.445 -8.243 0.770 1.00 75.20 O ATOM 72 CB ALA A 18 -2.726 -8.344 -1.226 1.00 5.04 C ATOM 0 H ALA A 18 -4.460 -6.941 -0.126 1.00 4.31 H new ATOM 0 HA ALA A 18 -2.934 -9.092 0.720 1.00 30.34 H new ATOM 0 HB1 ALA A 18 -1.887 -8.993 -1.474 1.00 5.04 H new ATOM 0 HB2 ALA A 18 -3.656 -8.813 -1.548 1.00 5.04 H new ATOM 0 HB3 ALA A 18 -2.607 -7.387 -1.735 1.00 5.04 H new ATOM 78 N ALA A 19 -1.387 -6.293 1.134 1.00 31.54 N ATOM 79 CA ALA A 19 -0.236 -5.693 1.781 1.00 62.12 C ATOM 80 C ALA A 19 0.098 -6.448 3.095 1.00 71.03 C ATOM 81 O ALA A 19 1.257 -6.521 3.499 1.00 31.25 O ATOM 82 CB ALA A 19 -0.500 -4.214 2.048 1.00 1.30 C ATOM 0 H ALA A 19 -2.165 -5.648 0.993 1.00 31.54 H new ATOM 0 HA ALA A 19 0.627 -5.772 1.120 1.00 62.12 H new ATOM 0 HB1 ALA A 19 0.369 -3.771 2.534 1.00 1.30 H new ATOM 0 HB2 ALA A 19 -0.688 -3.702 1.104 1.00 1.30 H new ATOM 0 HB3 ALA A 19 -1.370 -4.111 2.697 1.00 1.30 H new ATOM 88 N ASP A 20 -0.940 -7.054 3.717 1.00 42.11 N ATOM 89 CA ASP A 20 -0.785 -7.899 4.921 1.00 14.42 C ATOM 90 C ASP A 20 0.110 -9.109 4.611 1.00 51.23 C ATOM 91 O ASP A 20 0.713 -9.689 5.516 1.00 44.33 O ATOM 92 CB ASP A 20 -2.158 -8.404 5.469 1.00 60.33 C ATOM 93 CG ASP A 20 -2.977 -7.390 6.286 1.00 62.12 C ATOM 94 OD1 ASP A 20 -3.505 -6.411 5.715 1.00 24.23 O ATOM 95 OD2 ASP A 20 -3.177 -7.622 7.526 1.00 31.35 O ATOM 0 H ASP A 20 -1.905 -6.970 3.398 1.00 42.11 H new ATOM 0 HA ASP A 20 -0.322 -7.277 5.688 1.00 14.42 H new ATOM 0 HB2 ASP A 20 -2.764 -8.733 4.625 1.00 60.33 H new ATOM 0 HB3 ASP A 20 -1.977 -9.280 6.092 1.00 60.33 H new ATOM 100 N TYR A 21 0.205 -9.473 3.310 1.00 52.12 N ATOM 101 CA TYR A 21 1.073 -10.578 2.809 1.00 24.12 C ATOM 102 C TYR A 21 2.467 -10.352 3.248 1.00 54.04 C ATOM 103 O TYR A 21 3.144 -11.280 3.666 1.00 51.33 O ATOM 104 CB TYR A 21 1.034 -10.625 1.263 1.00 1.01 C ATOM 105 CG TYR A 21 1.992 -11.574 0.551 1.00 23.32 C ATOM 106 CD1 TYR A 21 3.300 -11.188 0.223 1.00 23.52 C ATOM 107 CD2 TYR A 21 1.576 -12.820 0.158 1.00 4.33 C ATOM 108 CE1 TYR A 21 4.143 -12.037 -0.471 1.00 34.44 C ATOM 109 CE2 TYR A 21 2.418 -13.670 -0.526 1.00 21.21 C ATOM 110 CZ TYR A 21 3.690 -13.281 -0.839 1.00 30.11 C ATOM 111 OH TYR A 21 4.501 -14.137 -1.539 1.00 50.43 O ATOM 0 H TYR A 21 -0.320 -9.008 2.569 1.00 52.12 H new ATOM 0 HA TYR A 21 0.706 -11.523 3.210 1.00 24.12 H new ATOM 0 HB2 TYR A 21 0.020 -10.887 0.962 1.00 1.01 H new ATOM 0 HB3 TYR A 21 1.226 -9.618 0.893 1.00 1.01 H new ATOM 0 HD1 TYR A 21 3.655 -10.211 0.517 1.00 23.52 H new ATOM 0 HD2 TYR A 21 0.571 -13.141 0.389 1.00 4.33 H new ATOM 0 HE1 TYR A 21 5.146 -11.726 -0.721 1.00 34.44 H new ATOM 0 HE2 TYR A 21 2.070 -14.650 -0.817 1.00 21.21 H new ATOM 0 HH TYR A 21 5.355 -14.236 -1.069 1.00 50.43 H new ATOM 121 N GLN A 22 2.870 -9.107 3.186 1.00 51.35 N ATOM 122 CA GLN A 22 4.210 -8.719 3.527 1.00 34.41 C ATOM 123 C GLN A 22 4.511 -9.088 4.984 1.00 3.31 C ATOM 124 O GLN A 22 5.480 -9.776 5.284 1.00 72.01 O ATOM 125 CB GLN A 22 4.393 -7.220 3.335 1.00 12.40 C ATOM 126 CG GLN A 22 5.825 -6.821 3.505 1.00 73.04 C ATOM 127 CD GLN A 22 6.684 -7.321 2.346 1.00 53.31 C ATOM 128 OE1 GLN A 22 6.234 -7.352 1.204 1.00 71.32 O ATOM 129 NE2 GLN A 22 7.828 -7.851 2.636 1.00 62.22 N ATOM 0 H GLN A 22 2.272 -8.333 2.896 1.00 51.35 H new ATOM 0 HA GLN A 22 4.900 -9.249 2.870 1.00 34.41 H new ATOM 0 HB2 GLN A 22 4.049 -6.934 2.341 1.00 12.40 H new ATOM 0 HB3 GLN A 22 3.775 -6.681 4.053 1.00 12.40 H new ATOM 0 HG2 GLN A 22 5.896 -5.735 3.571 1.00 73.04 H new ATOM 0 HG3 GLN A 22 6.207 -7.223 4.443 1.00 73.04 H new ATOM 0 HE21 GLN A 22 8.180 -7.812 3.592 1.00 62.22 H new ATOM 0 HE22 GLN A 22 8.378 -8.308 1.908 1.00 62.22 H new ATOM 138 N GLN A 23 3.637 -8.671 5.870 1.00 54.24 N ATOM 139 CA GLN A 23 3.813 -8.936 7.284 1.00 70.04 C ATOM 140 C GLN A 23 3.646 -10.417 7.592 1.00 3.35 C ATOM 141 O GLN A 23 4.346 -10.959 8.445 1.00 30.32 O ATOM 142 CB GLN A 23 2.861 -8.094 8.147 1.00 41.43 C ATOM 143 CG GLN A 23 3.284 -6.636 8.383 1.00 35.02 C ATOM 144 CD GLN A 23 3.429 -5.812 7.114 1.00 33.11 C ATOM 145 OE1 GLN A 23 2.486 -5.210 6.649 1.00 51.40 O ATOM 146 NE2 GLN A 23 4.619 -5.765 6.568 1.00 23.21 N ATOM 0 H GLN A 23 2.794 -8.145 5.639 1.00 54.24 H new ATOM 0 HA GLN A 23 4.833 -8.646 7.537 1.00 70.04 H new ATOM 0 HB2 GLN A 23 1.878 -8.095 7.677 1.00 41.43 H new ATOM 0 HB3 GLN A 23 2.752 -8.582 9.116 1.00 41.43 H new ATOM 0 HG2 GLN A 23 2.549 -6.157 9.031 1.00 35.02 H new ATOM 0 HG3 GLN A 23 4.234 -6.628 8.918 1.00 35.02 H new ATOM 0 HE21 GLN A 23 5.392 -6.284 6.985 1.00 23.21 H new ATOM 0 HE22 GLN A 23 4.772 -5.210 5.726 1.00 23.21 H new ATOM 155 N LEU A 24 2.714 -11.059 6.895 1.00 12.34 N ATOM 156 CA LEU A 24 2.476 -12.494 7.024 1.00 53.34 C ATOM 157 C LEU A 24 3.748 -13.249 6.715 1.00 2.02 C ATOM 158 O LEU A 24 4.168 -14.107 7.476 1.00 21.34 O ATOM 159 CB LEU A 24 1.369 -12.934 6.053 1.00 15.14 C ATOM 160 CG LEU A 24 1.048 -14.432 6.006 1.00 31.12 C ATOM 161 CD1 LEU A 24 0.557 -14.938 7.335 1.00 2.14 C ATOM 162 CD2 LEU A 24 0.037 -14.734 4.929 1.00 63.15 C ATOM 0 H LEU A 24 2.100 -10.598 6.223 1.00 12.34 H new ATOM 0 HA LEU A 24 2.162 -12.711 8.045 1.00 53.34 H new ATOM 0 HB2 LEU A 24 0.456 -12.399 6.313 1.00 15.14 H new ATOM 0 HB3 LEU A 24 1.650 -12.615 5.049 1.00 15.14 H new ATOM 0 HG LEU A 24 1.977 -14.952 5.770 1.00 31.12 H new ATOM 0 HD11 LEU A 24 0.340 -16.004 7.261 1.00 2.14 H new ATOM 0 HD12 LEU A 24 1.324 -14.775 8.092 1.00 2.14 H new ATOM 0 HD13 LEU A 24 -0.350 -14.402 7.616 1.00 2.14 H new ATOM 0 HD21 LEU A 24 -0.173 -15.803 4.917 1.00 63.15 H new ATOM 0 HD22 LEU A 24 -0.883 -14.186 5.130 1.00 63.15 H new ATOM 0 HD23 LEU A 24 0.436 -14.432 3.961 1.00 63.15 H new ATOM 174 N ARG A 25 4.353 -12.868 5.621 1.00 64.01 N ATOM 175 CA ARG A 25 5.558 -13.446 5.100 1.00 12.45 C ATOM 176 C ARG A 25 6.667 -13.434 6.151 1.00 61.41 C ATOM 177 O ARG A 25 7.132 -14.499 6.601 1.00 65.14 O ATOM 178 CB ARG A 25 5.959 -12.613 3.912 1.00 71.12 C ATOM 179 CG ARG A 25 7.045 -13.174 3.096 1.00 33.23 C ATOM 180 CD ARG A 25 7.454 -12.185 2.045 1.00 32.53 C ATOM 181 NE ARG A 25 8.390 -12.778 1.133 1.00 72.14 N ATOM 182 CZ ARG A 25 9.701 -12.655 1.190 1.00 73.04 C ATOM 183 NH1 ARG A 25 10.284 -11.974 2.203 1.00 51.14 N ATOM 184 NH2 ARG A 25 10.441 -13.272 0.266 1.00 1.13 N ATOM 0 H ARG A 25 3.998 -12.107 5.042 1.00 64.01 H new ATOM 0 HA ARG A 25 5.394 -14.486 4.818 1.00 12.45 H new ATOM 0 HB2 ARG A 25 5.085 -12.469 3.277 1.00 71.12 H new ATOM 0 HB3 ARG A 25 6.262 -11.627 4.265 1.00 71.12 H new ATOM 0 HG2 ARG A 25 7.898 -13.420 3.729 1.00 33.23 H new ATOM 0 HG3 ARG A 25 6.718 -14.102 2.627 1.00 33.23 H new ATOM 0 HD2 ARG A 25 6.575 -11.840 1.500 1.00 32.53 H new ATOM 0 HD3 ARG A 25 7.901 -11.309 2.516 1.00 32.53 H new ATOM 0 HE ARG A 25 8.008 -13.344 0.375 1.00 72.14 H new ATOM 0 HH11 ARG A 25 9.708 -11.551 2.931 1.00 51.14 H new ATOM 0 HH12 ARG A 25 11.299 -11.884 2.239 1.00 51.14 H new ATOM 0 HH21 ARG A 25 9.990 -13.824 -0.464 1.00 1.13 H new ATOM 0 HH22 ARG A 25 11.458 -13.191 0.290 1.00 1.13 H new ATOM 198 N GLU A 26 7.042 -12.241 6.574 1.00 73.11 N ATOM 199 CA GLU A 26 8.073 -12.063 7.570 1.00 71.52 C ATOM 200 C GLU A 26 7.728 -12.675 8.922 1.00 73.21 C ATOM 201 O GLU A 26 8.625 -13.112 9.662 1.00 14.34 O ATOM 202 CB GLU A 26 8.457 -10.605 7.723 1.00 63.42 C ATOM 203 CG GLU A 26 9.518 -10.142 6.727 1.00 32.11 C ATOM 204 CD GLU A 26 9.053 -10.016 5.285 1.00 51.34 C ATOM 205 OE1 GLU A 26 8.515 -8.954 4.937 1.00 45.51 O ATOM 206 OE2 GLU A 26 9.263 -10.970 4.479 1.00 14.23 O ATOM 0 H GLU A 26 6.637 -11.369 6.234 1.00 73.11 H new ATOM 0 HA GLU A 26 8.936 -12.612 7.194 1.00 71.52 H new ATOM 0 HB2 GLU A 26 7.566 -9.989 7.603 1.00 63.42 H new ATOM 0 HB3 GLU A 26 8.825 -10.440 8.736 1.00 63.42 H new ATOM 0 HG2 GLU A 26 9.899 -9.174 7.053 1.00 32.11 H new ATOM 0 HG3 GLU A 26 10.353 -10.842 6.761 1.00 32.11 H new ATOM 213 N ARG A 27 6.448 -12.730 9.266 1.00 1.12 N ATOM 214 CA ARG A 27 6.076 -13.297 10.507 1.00 13.24 C ATOM 215 C ARG A 27 6.151 -14.823 10.433 1.00 11.40 C ATOM 216 O ARG A 27 6.622 -15.436 11.366 1.00 52.34 O ATOM 217 CB ARG A 27 4.697 -12.810 10.966 1.00 75.41 C ATOM 218 CG ARG A 27 4.526 -12.896 12.488 1.00 60.32 C ATOM 219 CD ARG A 27 4.440 -14.333 12.961 1.00 0.34 C ATOM 220 NE ARG A 27 4.553 -14.582 14.406 1.00 74.31 N ATOM 221 CZ ARG A 27 5.656 -14.421 15.169 1.00 32.40 C ATOM 222 NH1 ARG A 27 6.640 -13.583 14.814 1.00 21.23 N ATOM 223 NH2 ARG A 27 5.743 -15.100 16.307 1.00 40.30 N ATOM 0 H ARG A 27 5.675 -12.387 8.695 1.00 1.12 H new ATOM 0 HA ARG A 27 6.785 -12.960 11.263 1.00 13.24 H new ATOM 0 HB2 ARG A 27 4.553 -11.779 10.644 1.00 75.41 H new ATOM 0 HB3 ARG A 27 3.924 -13.406 10.481 1.00 75.41 H new ATOM 0 HG2 ARG A 27 5.365 -12.401 12.977 1.00 60.32 H new ATOM 0 HG3 ARG A 27 3.624 -12.361 12.784 1.00 60.32 H new ATOM 0 HD2 ARG A 27 3.488 -14.741 12.623 1.00 0.34 H new ATOM 0 HD3 ARG A 27 5.225 -14.899 12.460 1.00 0.34 H new ATOM 0 HE ARG A 27 3.712 -14.910 14.881 1.00 74.31 H new ATOM 0 HH11 ARG A 27 6.567 -13.048 13.949 1.00 21.23 H new ATOM 0 HH12 ARG A 27 7.462 -13.481 15.409 1.00 21.23 H new ATOM 0 HH21 ARG A 27 4.987 -15.725 16.587 1.00 40.30 H new ATOM 0 HH22 ARG A 27 6.566 -14.996 16.901 1.00 40.30 H new ATOM 237 N LEU A 28 5.743 -15.417 9.310 1.00 64.20 N ATOM 238 CA LEU A 28 5.729 -16.892 9.152 1.00 3.41 C ATOM 239 C LEU A 28 7.087 -17.463 9.418 1.00 3.54 C ATOM 240 O LEU A 28 7.226 -18.458 10.117 1.00 15.03 O ATOM 241 CB LEU A 28 5.244 -17.312 7.760 1.00 0.20 C ATOM 242 CG LEU A 28 3.747 -17.170 7.492 1.00 62.33 C ATOM 243 CD1 LEU A 28 3.453 -17.429 6.035 1.00 52.50 C ATOM 244 CD2 LEU A 28 2.963 -18.144 8.349 1.00 51.35 C ATOM 0 H LEU A 28 5.415 -14.908 8.489 1.00 64.20 H new ATOM 0 HA LEU A 28 5.025 -17.289 9.884 1.00 3.41 H new ATOM 0 HB2 LEU A 28 5.782 -16.721 7.018 1.00 0.20 H new ATOM 0 HB3 LEU A 28 5.522 -18.354 7.601 1.00 0.20 H new ATOM 0 HG LEU A 28 3.447 -16.153 7.744 1.00 62.33 H new ATOM 0 HD11 LEU A 28 2.383 -17.325 5.856 1.00 52.50 H new ATOM 0 HD12 LEU A 28 3.995 -16.710 5.421 1.00 52.50 H new ATOM 0 HD13 LEU A 28 3.768 -18.439 5.774 1.00 52.50 H new ATOM 0 HD21 LEU A 28 1.898 -18.031 8.147 1.00 51.35 H new ATOM 0 HD22 LEU A 28 3.270 -19.163 8.115 1.00 51.35 H new ATOM 0 HD23 LEU A 28 3.156 -17.939 9.402 1.00 51.35 H new ATOM 256 N ILE A 29 8.073 -16.790 8.892 1.00 52.22 N ATOM 257 CA ILE A 29 9.465 -17.096 9.113 1.00 14.44 C ATOM 258 C ILE A 29 9.755 -17.250 10.626 1.00 45.32 C ATOM 259 O ILE A 29 10.220 -18.282 11.075 1.00 75.10 O ATOM 260 CB ILE A 29 10.308 -15.954 8.478 1.00 21.21 C ATOM 261 CG1 ILE A 29 10.248 -16.059 6.942 1.00 63.25 C ATOM 262 CG2 ILE A 29 11.726 -15.933 8.993 1.00 20.23 C ATOM 263 CD1 ILE A 29 10.979 -14.957 6.205 1.00 52.21 C ATOM 0 H ILE A 29 7.929 -15.988 8.278 1.00 52.22 H new ATOM 0 HA ILE A 29 9.729 -18.045 8.647 1.00 14.44 H new ATOM 0 HB ILE A 29 9.874 -15.000 8.777 1.00 21.21 H new ATOM 0 HG12 ILE A 29 10.666 -17.019 6.640 1.00 63.25 H new ATOM 0 HG13 ILE A 29 9.203 -16.055 6.631 1.00 63.25 H new ATOM 0 HG21 ILE A 29 12.273 -15.118 8.519 1.00 20.23 H new ATOM 0 HG22 ILE A 29 11.719 -15.786 10.073 1.00 20.23 H new ATOM 0 HG23 ILE A 29 12.212 -16.880 8.759 1.00 20.23 H new ATOM 0 HD11 ILE A 29 10.883 -15.112 5.130 1.00 52.21 H new ATOM 0 HD12 ILE A 29 10.548 -13.992 6.472 1.00 52.21 H new ATOM 0 HD13 ILE A 29 12.033 -14.972 6.481 1.00 52.21 H new ATOM 275 N GLN A 30 9.363 -16.267 11.384 1.00 60.23 N ATOM 276 CA GLN A 30 9.606 -16.236 12.819 1.00 63.25 C ATOM 277 C GLN A 30 8.686 -17.221 13.570 1.00 44.45 C ATOM 278 O GLN A 30 9.098 -17.869 14.518 1.00 61.30 O ATOM 279 CB GLN A 30 9.325 -14.840 13.322 1.00 40.05 C ATOM 280 CG GLN A 30 10.117 -13.742 12.649 1.00 31.21 C ATOM 281 CD GLN A 30 9.626 -12.373 13.060 1.00 10.44 C ATOM 282 OE1 GLN A 30 9.125 -12.185 14.170 1.00 14.43 O ATOM 283 NE2 GLN A 30 9.710 -11.426 12.165 1.00 22.24 N ATOM 0 H GLN A 30 8.861 -15.452 11.032 1.00 60.23 H new ATOM 0 HA GLN A 30 10.641 -16.525 13.000 1.00 63.25 H new ATOM 0 HB2 GLN A 30 8.263 -14.631 13.193 1.00 40.05 H new ATOM 0 HB3 GLN A 30 9.528 -14.809 14.392 1.00 40.05 H new ATOM 0 HG2 GLN A 30 11.172 -13.843 12.905 1.00 31.21 H new ATOM 0 HG3 GLN A 30 10.040 -13.847 11.567 1.00 31.21 H new ATOM 0 HE21 GLN A 30 10.131 -11.619 11.256 1.00 22.24 H new ATOM 0 HE22 GLN A 30 9.354 -10.493 12.374 1.00 22.24 H new ATOM 292 N GLU A 31 7.447 -17.310 13.120 1.00 51.43 N ATOM 293 CA GLU A 31 6.399 -18.112 13.763 1.00 2.31 C ATOM 294 C GLU A 31 6.713 -19.605 13.691 1.00 42.43 C ATOM 295 O GLU A 31 6.494 -20.337 14.654 1.00 32.14 O ATOM 296 CB GLU A 31 5.050 -17.803 13.093 1.00 52.03 C ATOM 297 CG GLU A 31 3.823 -18.457 13.711 1.00 20.25 C ATOM 298 CD GLU A 31 3.575 -18.069 15.161 1.00 62.11 C ATOM 299 OE1 GLU A 31 3.570 -16.848 15.500 1.00 13.42 O ATOM 300 OE2 GLU A 31 3.328 -18.969 15.980 1.00 74.03 O ATOM 0 H GLU A 31 7.127 -16.822 12.284 1.00 51.43 H new ATOM 0 HA GLU A 31 6.351 -17.848 14.819 1.00 2.31 H new ATOM 0 HB2 GLU A 31 4.903 -16.723 13.103 1.00 52.03 H new ATOM 0 HB3 GLU A 31 5.110 -18.107 12.048 1.00 52.03 H new ATOM 0 HG2 GLU A 31 2.947 -18.191 13.120 1.00 20.25 H new ATOM 0 HG3 GLU A 31 3.932 -19.540 13.650 1.00 20.25 H new ATOM 307 N LEU A 32 7.235 -20.041 12.557 1.00 74.42 N ATOM 308 CA LEU A 32 7.591 -21.444 12.363 1.00 21.31 C ATOM 309 C LEU A 32 9.001 -21.733 12.874 1.00 33.30 C ATOM 310 O LEU A 32 9.450 -22.876 12.820 1.00 41.01 O ATOM 311 CB LEU A 32 7.493 -21.862 10.877 1.00 3.35 C ATOM 312 CG LEU A 32 6.092 -22.069 10.243 1.00 73.04 C ATOM 313 CD1 LEU A 32 5.255 -20.808 10.223 1.00 75.01 C ATOM 314 CD2 LEU A 32 6.251 -22.612 8.843 1.00 72.11 C ATOM 0 H LEU A 32 7.424 -19.444 11.752 1.00 74.42 H new ATOM 0 HA LEU A 32 6.873 -22.028 12.938 1.00 21.31 H new ATOM 0 HB2 LEU A 32 8.012 -21.106 10.288 1.00 3.35 H new ATOM 0 HB3 LEU A 32 8.048 -22.793 10.760 1.00 3.35 H new ATOM 0 HG LEU A 32 5.556 -22.783 10.869 1.00 73.04 H new ATOM 0 HD11 LEU A 32 4.288 -21.020 9.767 1.00 75.01 H new ATOM 0 HD12 LEU A 32 5.106 -20.454 11.243 1.00 75.01 H new ATOM 0 HD13 LEU A 32 5.768 -20.040 9.644 1.00 75.01 H new ATOM 0 HD21 LEU A 32 5.268 -22.758 8.396 1.00 72.11 H new ATOM 0 HD22 LEU A 32 6.822 -21.905 8.241 1.00 72.11 H new ATOM 0 HD23 LEU A 32 6.778 -23.565 8.880 1.00 72.11 H new ATOM 326 N ASN A 33 9.679 -20.684 13.382 1.00 65.14 N ATOM 327 CA ASN A 33 11.077 -20.766 13.871 1.00 64.32 C ATOM 328 C ASN A 33 11.974 -21.156 12.681 1.00 0.54 C ATOM 329 O ASN A 33 12.919 -21.948 12.781 1.00 54.40 O ATOM 330 CB ASN A 33 11.189 -21.788 15.043 1.00 15.50 C ATOM 331 CG ASN A 33 12.499 -21.699 15.839 1.00 74.42 C ATOM 332 OD1 ASN A 33 12.590 -20.978 16.825 1.00 42.31 O ATOM 333 ND2 ASN A 33 13.505 -22.423 15.426 1.00 74.24 N ATOM 0 H ASN A 33 9.274 -19.752 13.466 1.00 65.14 H new ATOM 0 HA ASN A 33 11.402 -19.804 14.266 1.00 64.32 H new ATOM 0 HB2 ASN A 33 10.353 -21.634 15.725 1.00 15.50 H new ATOM 0 HB3 ASN A 33 11.090 -22.796 14.641 1.00 15.50 H new ATOM 0 HD21 ASN A 33 14.393 -22.396 15.928 1.00 74.24 H new ATOM 0 HD22 ASN A 33 13.403 -23.015 14.602 1.00 74.24 H new ATOM 340 N LEU A 34 11.676 -20.556 11.562 1.00 13.55 N ATOM 341 CA LEU A 34 12.342 -20.826 10.329 1.00 21.45 C ATOM 342 C LEU A 34 13.050 -19.588 9.803 1.00 1.31 C ATOM 343 O LEU A 34 13.035 -18.536 10.422 1.00 14.25 O ATOM 344 CB LEU A 34 11.342 -21.386 9.288 1.00 72.53 C ATOM 345 CG LEU A 34 10.903 -22.844 9.483 1.00 20.34 C ATOM 346 CD1 LEU A 34 10.019 -23.282 8.341 1.00 61.14 C ATOM 347 CD2 LEU A 34 12.103 -23.776 9.610 1.00 32.54 C ATOM 0 H LEU A 34 10.945 -19.849 11.486 1.00 13.55 H new ATOM 0 HA LEU A 34 13.105 -21.583 10.511 1.00 21.45 H new ATOM 0 HB2 LEU A 34 10.452 -20.757 9.295 1.00 72.53 H new ATOM 0 HB3 LEU A 34 11.790 -21.293 8.299 1.00 72.53 H new ATOM 0 HG LEU A 34 10.337 -22.900 10.413 1.00 20.34 H new ATOM 0 HD11 LEU A 34 9.715 -24.318 8.493 1.00 61.14 H new ATOM 0 HD12 LEU A 34 9.134 -22.647 8.301 1.00 61.14 H new ATOM 0 HD13 LEU A 34 10.568 -23.198 7.403 1.00 61.14 H new ATOM 0 HD21 LEU A 34 11.755 -24.800 9.747 1.00 32.54 H new ATOM 0 HD22 LEU A 34 12.708 -23.716 8.705 1.00 32.54 H new ATOM 0 HD23 LEU A 34 12.705 -23.479 10.469 1.00 32.54 H new ATOM 359 N THR A 35 13.695 -19.730 8.681 1.00 55.44 N ATOM 360 CA THR A 35 14.383 -18.642 8.052 1.00 74.11 C ATOM 361 C THR A 35 13.807 -18.489 6.646 1.00 51.23 C ATOM 362 O THR A 35 13.126 -19.413 6.168 1.00 75.32 O ATOM 363 CB THR A 35 15.909 -18.946 7.965 1.00 31.13 C ATOM 364 OG1 THR A 35 16.114 -20.166 7.247 1.00 42.31 O ATOM 365 CG2 THR A 35 16.531 -19.062 9.353 1.00 70.43 C ATOM 0 H THR A 35 13.758 -20.612 8.173 1.00 55.44 H new ATOM 0 HA THR A 35 14.252 -17.726 8.628 1.00 74.11 H new ATOM 0 HB THR A 35 16.391 -18.120 7.443 1.00 31.13 H new ATOM 0 HG1 THR A 35 17.074 -20.355 7.191 1.00 42.31 H new ATOM 0 HG21 THR A 35 17.596 -19.274 9.258 1.00 70.43 H new ATOM 0 HG22 THR A 35 16.395 -18.125 9.892 1.00 70.43 H new ATOM 0 HG23 THR A 35 16.048 -19.870 9.902 1.00 70.43 H new ATOM 373 N PRO A 36 14.059 -17.358 5.941 1.00 3.14 N ATOM 374 CA PRO A 36 13.575 -17.163 4.552 1.00 2.31 C ATOM 375 C PRO A 36 14.193 -18.169 3.559 1.00 23.42 C ATOM 376 O PRO A 36 13.811 -18.225 2.406 1.00 72.24 O ATOM 377 CB PRO A 36 14.033 -15.735 4.207 1.00 21.31 C ATOM 378 CG PRO A 36 15.124 -15.432 5.176 1.00 43.31 C ATOM 379 CD PRO A 36 14.765 -16.154 6.437 1.00 44.03 C ATOM 0 HA PRO A 36 12.498 -17.315 4.480 1.00 2.31 H new ATOM 0 HB2 PRO A 36 14.390 -15.673 3.179 1.00 21.31 H new ATOM 0 HB3 PRO A 36 13.212 -15.024 4.302 1.00 21.31 H new ATOM 0 HG2 PRO A 36 16.089 -15.767 4.795 1.00 43.31 H new ATOM 0 HG3 PRO A 36 15.205 -14.359 5.350 1.00 43.31 H new ATOM 0 HD2 PRO A 36 15.649 -16.415 7.018 1.00 44.03 H new ATOM 0 HD3 PRO A 36 14.127 -15.549 7.081 1.00 44.03 H new ATOM 387 N GLN A 37 15.159 -18.937 4.031 1.00 13.43 N ATOM 388 CA GLN A 37 15.812 -19.944 3.213 1.00 20.23 C ATOM 389 C GLN A 37 15.162 -21.292 3.437 1.00 13.11 C ATOM 390 O GLN A 37 15.330 -22.209 2.651 1.00 54.44 O ATOM 391 CB GLN A 37 17.295 -20.021 3.548 1.00 73.13 C ATOM 392 CG GLN A 37 18.043 -18.711 3.361 1.00 22.53 C ATOM 393 CD GLN A 37 19.499 -18.788 3.787 1.00 53.13 C ATOM 394 OE1 GLN A 37 20.106 -19.945 3.657 1.00 71.14 O flip ATOM 395 NE2 GLN A 37 20.071 -17.810 4.227 1.00 52.23 N flip ATOM 0 H GLN A 37 15.511 -18.881 4.987 1.00 13.43 H new ATOM 0 HA GLN A 37 15.705 -19.665 2.165 1.00 20.23 H new ATOM 0 HB2 GLN A 37 17.406 -20.346 4.582 1.00 73.13 H new ATOM 0 HB3 GLN A 37 17.759 -20.784 2.923 1.00 73.13 H new ATOM 0 HG2 GLN A 37 17.993 -18.418 2.312 1.00 22.53 H new ATOM 0 HG3 GLN A 37 17.544 -17.930 3.935 1.00 22.53 H new ATOM 0 HE21 GLN A 37 19.572 -16.925 4.316 1.00 52.23 H new ATOM 0 HE22 GLN A 37 21.050 -17.875 4.507 1.00 52.23 H new ATOM 404 N GLN A 38 14.428 -21.409 4.523 1.00 63.24 N ATOM 405 CA GLN A 38 13.728 -22.638 4.807 1.00 1.35 C ATOM 406 C GLN A 38 12.326 -22.492 4.305 1.00 31.34 C ATOM 407 O GLN A 38 11.725 -23.426 3.789 1.00 4.51 O ATOM 408 CB GLN A 38 13.709 -22.956 6.307 1.00 32.53 C ATOM 409 CG GLN A 38 15.083 -23.093 6.948 1.00 41.24 C ATOM 410 CD GLN A 38 15.964 -24.160 6.314 1.00 54.31 C ATOM 411 OE1 GLN A 38 15.372 -25.218 5.809 1.00 13.53 O flip ATOM 412 NE2 GLN A 38 17.175 -24.032 6.300 1.00 20.20 N flip ATOM 0 H GLN A 38 14.302 -20.673 5.218 1.00 63.24 H new ATOM 0 HA GLN A 38 14.243 -23.461 4.312 1.00 1.35 H new ATOM 0 HB2 GLN A 38 13.159 -22.169 6.824 1.00 32.53 H new ATOM 0 HB3 GLN A 38 13.158 -23.884 6.460 1.00 32.53 H new ATOM 0 HG2 GLN A 38 15.596 -22.133 6.890 1.00 41.24 H new ATOM 0 HG3 GLN A 38 14.957 -23.324 8.006 1.00 41.24 H new ATOM 0 HE21 GLN A 38 17.604 -23.198 6.701 1.00 20.20 H new ATOM 0 HE22 GLN A 38 17.760 -24.759 5.888 1.00 20.20 H new ATOM 421 N LEU A 39 11.812 -21.303 4.452 1.00 71.22 N ATOM 422 CA LEU A 39 10.511 -21.008 3.992 1.00 23.11 C ATOM 423 C LEU A 39 10.500 -20.406 2.629 1.00 51.51 C ATOM 424 O LEU A 39 10.575 -19.192 2.463 1.00 62.13 O ATOM 425 CB LEU A 39 9.702 -20.158 4.964 1.00 65.25 C ATOM 426 CG LEU A 39 9.034 -20.864 6.114 1.00 0.13 C ATOM 427 CD1 LEU A 39 8.250 -19.863 6.931 1.00 33.44 C ATOM 428 CD2 LEU A 39 8.118 -21.959 5.597 1.00 60.03 C ATOM 0 H LEU A 39 12.294 -20.521 4.896 1.00 71.22 H new ATOM 0 HA LEU A 39 10.017 -21.978 3.929 1.00 23.11 H new ATOM 0 HB2 LEU A 39 10.364 -19.396 5.376 1.00 65.25 H new ATOM 0 HB3 LEU A 39 8.931 -19.638 4.395 1.00 65.25 H new ATOM 0 HG LEU A 39 9.794 -21.323 6.746 1.00 0.13 H new ATOM 0 HD11 LEU A 39 7.766 -20.373 7.764 1.00 33.44 H new ATOM 0 HD12 LEU A 39 8.925 -19.099 7.316 1.00 33.44 H new ATOM 0 HD13 LEU A 39 7.493 -19.394 6.303 1.00 33.44 H new ATOM 0 HD21 LEU A 39 7.641 -22.462 6.438 1.00 60.03 H new ATOM 0 HD22 LEU A 39 7.353 -21.521 4.955 1.00 60.03 H new ATOM 0 HD23 LEU A 39 8.701 -22.681 5.026 1.00 60.03 H new ATOM 440 N HIS A 40 10.477 -21.266 1.658 1.00 61.11 N ATOM 441 CA HIS A 40 10.171 -20.859 0.327 1.00 15.42 C ATOM 442 C HIS A 40 8.680 -20.603 0.350 1.00 2.41 C ATOM 443 O HIS A 40 7.928 -21.447 0.832 1.00 31.44 O ATOM 444 CB HIS A 40 10.513 -21.984 -0.670 1.00 11.20 C ATOM 445 CG HIS A 40 10.085 -21.728 -2.089 1.00 43.44 C ATOM 446 ND1 HIS A 40 9.156 -22.500 -2.759 1.00 10.41 N ATOM 447 CD2 HIS A 40 10.478 -20.775 -2.965 1.00 24.22 C ATOM 448 CE1 HIS A 40 9.019 -22.002 -3.992 1.00 1.33 C ATOM 449 NE2 HIS A 40 9.799 -20.954 -4.166 1.00 64.31 N ATOM 0 H HIS A 40 10.669 -22.262 1.767 1.00 61.11 H new ATOM 0 HA HIS A 40 10.739 -19.983 0.014 1.00 15.42 H new ATOM 0 HB2 HIS A 40 11.591 -22.147 -0.655 1.00 11.20 H new ATOM 0 HB3 HIS A 40 10.046 -22.907 -0.327 1.00 11.20 H new ATOM 0 HD2 HIS A 40 11.203 -20.000 -2.764 1.00 24.22 H new ATOM 0 HE1 HIS A 40 8.358 -22.405 -4.745 1.00 1.33 H new ATOM 0 HE2 HIS A 40 9.887 -20.389 -5.010 1.00 64.31 H new ATOM 457 N GLU A 41 8.278 -19.466 -0.134 1.00 13.32 N ATOM 458 CA GLU A 41 6.902 -18.989 -0.047 1.00 41.23 C ATOM 459 C GLU A 41 5.840 -19.991 -0.546 1.00 72.41 C ATOM 460 O GLU A 41 4.751 -20.064 0.021 1.00 71.32 O ATOM 461 CB GLU A 41 6.809 -17.611 -0.698 1.00 41.25 C ATOM 462 CG GLU A 41 7.725 -16.617 0.021 1.00 65.50 C ATOM 463 CD GLU A 41 7.787 -15.243 -0.589 1.00 14.01 C ATOM 464 OE1 GLU A 41 6.837 -14.461 -0.410 1.00 5.14 O ATOM 465 OE2 GLU A 41 8.841 -14.878 -1.151 1.00 51.22 O ATOM 0 H GLU A 41 8.902 -18.818 -0.615 1.00 13.32 H new ATOM 0 HA GLU A 41 6.649 -18.893 1.009 1.00 41.23 H new ATOM 0 HB2 GLU A 41 7.090 -17.679 -1.749 1.00 41.25 H new ATOM 0 HB3 GLU A 41 5.779 -17.255 -0.665 1.00 41.25 H new ATOM 0 HG2 GLU A 41 7.392 -16.523 1.055 1.00 65.50 H new ATOM 0 HG3 GLU A 41 8.733 -17.031 0.047 1.00 65.50 H new ATOM 472 N GLU A 42 6.186 -20.810 -1.537 1.00 35.04 N ATOM 473 CA GLU A 42 5.240 -21.807 -2.044 1.00 35.14 C ATOM 474 C GLU A 42 5.464 -23.211 -1.467 1.00 4.31 C ATOM 475 O GLU A 42 5.037 -24.208 -2.045 1.00 43.11 O ATOM 476 CB GLU A 42 5.195 -21.831 -3.574 1.00 42.42 C ATOM 477 CG GLU A 42 4.584 -20.575 -4.168 1.00 5.22 C ATOM 478 CD GLU A 42 3.218 -20.277 -3.569 1.00 50.23 C ATOM 479 OE1 GLU A 42 3.165 -19.590 -2.539 1.00 24.54 O ATOM 480 OE2 GLU A 42 2.190 -20.727 -4.110 1.00 31.40 O ATOM 0 H GLU A 42 7.095 -20.806 -1.999 1.00 35.04 H new ATOM 0 HA GLU A 42 4.261 -21.486 -1.688 1.00 35.14 H new ATOM 0 HB2 GLU A 42 6.207 -21.954 -3.960 1.00 42.42 H new ATOM 0 HB3 GLU A 42 4.621 -22.698 -3.902 1.00 42.42 H new ATOM 0 HG2 GLU A 42 5.250 -19.729 -3.995 1.00 5.22 H new ATOM 0 HG3 GLU A 42 4.491 -20.691 -5.248 1.00 5.22 H new ATOM 487 N SER A 43 6.129 -23.295 -0.340 1.00 12.12 N ATOM 488 CA SER A 43 6.260 -24.569 0.341 1.00 4.43 C ATOM 489 C SER A 43 4.990 -24.814 1.153 1.00 1.05 C ATOM 490 O SER A 43 4.314 -23.857 1.539 1.00 61.11 O ATOM 491 CB SER A 43 7.458 -24.538 1.277 1.00 64.32 C ATOM 492 OG SER A 43 8.598 -24.086 0.589 1.00 71.33 O ATOM 0 H SER A 43 6.584 -22.509 0.124 1.00 12.12 H new ATOM 0 HA SER A 43 6.405 -25.365 -0.390 1.00 4.43 H new ATOM 0 HB2 SER A 43 7.251 -23.883 2.123 1.00 64.32 H new ATOM 0 HB3 SER A 43 7.639 -25.534 1.682 1.00 64.32 H new ATOM 0 HG SER A 43 8.537 -23.117 0.457 1.00 71.33 H new ATOM 498 N ASN A 44 4.656 -26.076 1.400 1.00 0.53 N ATOM 499 CA ASN A 44 3.490 -26.385 2.215 1.00 70.31 C ATOM 500 C ASN A 44 3.793 -25.939 3.628 1.00 63.44 C ATOM 501 O ASN A 44 4.629 -26.538 4.288 1.00 11.44 O ATOM 502 CB ASN A 44 3.205 -27.883 2.265 1.00 30.45 C ATOM 503 CG ASN A 44 1.842 -28.179 2.882 1.00 1.31 C ATOM 504 OD1 ASN A 44 1.709 -28.295 4.088 1.00 50.01 O ATOM 505 ND2 ASN A 44 0.827 -28.312 2.060 1.00 35.32 N ATOM 0 H ASN A 44 5.167 -26.888 1.054 1.00 0.53 H new ATOM 0 HA ASN A 44 2.625 -25.881 1.783 1.00 70.31 H new ATOM 0 HB2 ASN A 44 3.245 -28.295 1.256 1.00 30.45 H new ATOM 0 HB3 ASN A 44 3.982 -28.382 2.844 1.00 30.45 H new ATOM 0 HD21 ASN A 44 -0.102 -28.518 2.426 1.00 35.32 H new ATOM 0 HD22 ASN A 44 0.968 -28.210 1.055 1.00 35.32 H new ATOM 512 N LEU A 45 3.134 -24.900 4.081 1.00 24.11 N ATOM 513 CA LEU A 45 3.432 -24.331 5.387 1.00 51.33 C ATOM 514 C LEU A 45 3.108 -25.272 6.515 1.00 4.43 C ATOM 515 O LEU A 45 3.832 -25.327 7.498 1.00 30.52 O ATOM 516 CB LEU A 45 2.729 -23.004 5.570 1.00 65.51 C ATOM 517 CG LEU A 45 3.099 -21.942 4.551 1.00 52.41 C ATOM 518 CD1 LEU A 45 2.328 -20.672 4.806 1.00 42.21 C ATOM 519 CD2 LEU A 45 4.596 -21.664 4.571 1.00 1.51 C ATOM 0 H LEU A 45 2.388 -24.427 3.571 1.00 24.11 H new ATOM 0 HA LEU A 45 4.508 -24.162 5.419 1.00 51.33 H new ATOM 0 HB2 LEU A 45 1.653 -23.170 5.526 1.00 65.51 H new ATOM 0 HB3 LEU A 45 2.953 -22.625 6.567 1.00 65.51 H new ATOM 0 HG LEU A 45 2.835 -22.319 3.563 1.00 52.41 H new ATOM 0 HD11 LEU A 45 2.607 -19.922 4.065 1.00 42.21 H new ATOM 0 HD12 LEU A 45 1.259 -20.874 4.733 1.00 42.21 H new ATOM 0 HD13 LEU A 45 2.560 -20.300 5.804 1.00 42.21 H new ATOM 0 HD21 LEU A 45 4.834 -20.899 3.832 1.00 1.51 H new ATOM 0 HD22 LEU A 45 4.888 -21.314 5.561 1.00 1.51 H new ATOM 0 HD23 LEU A 45 5.139 -22.579 4.335 1.00 1.51 H new ATOM 531 N ILE A 46 2.051 -26.030 6.355 1.00 3.23 N ATOM 532 CA ILE A 46 1.630 -26.999 7.377 1.00 34.25 C ATOM 533 C ILE A 46 2.737 -28.030 7.592 1.00 42.43 C ATOM 534 O ILE A 46 3.215 -28.237 8.705 1.00 40.24 O ATOM 535 CB ILE A 46 0.310 -27.708 6.975 1.00 62.43 C ATOM 536 CG1 ILE A 46 -0.785 -26.658 6.723 1.00 40.24 C ATOM 537 CG2 ILE A 46 -0.128 -28.700 8.060 1.00 32.23 C ATOM 538 CD1 ILE A 46 -2.120 -27.237 6.295 1.00 33.33 C ATOM 0 H ILE A 46 1.454 -26.006 5.528 1.00 3.23 H new ATOM 0 HA ILE A 46 1.447 -26.459 8.306 1.00 34.25 H new ATOM 0 HB ILE A 46 0.478 -28.272 6.057 1.00 62.43 H new ATOM 0 HG12 ILE A 46 -0.930 -26.076 7.633 1.00 40.24 H new ATOM 0 HG13 ILE A 46 -0.439 -25.967 5.954 1.00 40.24 H new ATOM 0 HG21 ILE A 46 -1.056 -29.185 7.756 1.00 32.23 H new ATOM 0 HG22 ILE A 46 0.647 -29.454 8.198 1.00 32.23 H new ATOM 0 HG23 ILE A 46 -0.287 -28.167 8.997 1.00 32.23 H new ATOM 0 HD11 ILE A 46 -2.834 -26.428 6.139 1.00 33.33 H new ATOM 0 HD12 ILE A 46 -1.994 -27.794 5.367 1.00 33.33 H new ATOM 0 HD13 ILE A 46 -2.493 -27.905 7.072 1.00 33.33 H new ATOM 550 N GLN A 47 3.192 -28.580 6.491 1.00 74.23 N ATOM 551 CA GLN A 47 4.280 -29.554 6.446 1.00 30.23 C ATOM 552 C GLN A 47 5.636 -28.927 6.834 1.00 23.03 C ATOM 553 O GLN A 47 6.623 -29.626 7.014 1.00 4.13 O ATOM 554 CB GLN A 47 4.332 -30.165 5.033 1.00 45.43 C ATOM 555 CG GLN A 47 3.207 -31.151 4.708 1.00 62.33 C ATOM 556 CD GLN A 47 3.224 -32.426 5.554 1.00 73.50 C ATOM 557 OE1 GLN A 47 3.649 -32.442 6.692 1.00 13.14 O ATOM 558 NE2 GLN A 47 2.753 -33.504 4.986 1.00 73.50 N ATOM 0 H GLN A 47 2.811 -28.362 5.570 1.00 74.23 H new ATOM 0 HA GLN A 47 4.086 -30.336 7.180 1.00 30.23 H new ATOM 0 HB2 GLN A 47 4.306 -29.356 4.303 1.00 45.43 H new ATOM 0 HB3 GLN A 47 5.287 -30.675 4.910 1.00 45.43 H new ATOM 0 HG2 GLN A 47 2.249 -30.650 4.846 1.00 62.33 H new ATOM 0 HG3 GLN A 47 3.274 -31.426 3.655 1.00 62.33 H new ATOM 0 HE21 GLN A 47 2.402 -33.464 4.029 1.00 73.50 H new ATOM 0 HE22 GLN A 47 2.736 -34.385 5.499 1.00 73.50 H new ATOM 567 N ALA A 48 5.668 -27.611 6.940 1.00 13.12 N ATOM 568 CA ALA A 48 6.873 -26.899 7.311 1.00 3.51 C ATOM 569 C ALA A 48 6.849 -26.488 8.788 1.00 62.45 C ATOM 570 O ALA A 48 7.799 -25.889 9.281 1.00 34.44 O ATOM 571 CB ALA A 48 7.072 -25.678 6.419 1.00 40.23 C ATOM 0 H ALA A 48 4.862 -27.009 6.772 1.00 13.12 H new ATOM 0 HA ALA A 48 7.715 -27.576 7.168 1.00 3.51 H new ATOM 0 HB1 ALA A 48 7.983 -25.157 6.714 1.00 40.23 H new ATOM 0 HB2 ALA A 48 7.156 -25.996 5.380 1.00 40.23 H new ATOM 0 HB3 ALA A 48 6.219 -25.007 6.525 1.00 40.23 H new ATOM 577 N GLY A 49 5.765 -26.806 9.489 1.00 32.23 N ATOM 578 CA GLY A 49 5.706 -26.481 10.904 1.00 50.21 C ATOM 579 C GLY A 49 4.527 -25.605 11.299 1.00 14.31 C ATOM 580 O GLY A 49 4.411 -25.199 12.457 1.00 24.30 O ATOM 0 H GLY A 49 4.941 -27.274 9.113 1.00 32.23 H new ATOM 0 HA2 GLY A 49 5.662 -27.408 11.476 1.00 50.21 H new ATOM 0 HA3 GLY A 49 6.629 -25.976 11.187 1.00 50.21 H new ATOM 584 N LEU A 50 3.668 -25.296 10.360 1.00 3.45 N ATOM 585 CA LEU A 50 2.487 -24.503 10.656 1.00 53.21 C ATOM 586 C LEU A 50 1.337 -25.444 10.967 1.00 32.21 C ATOM 587 O LEU A 50 0.788 -26.075 10.073 1.00 64.44 O ATOM 588 CB LEU A 50 2.126 -23.604 9.461 1.00 11.31 C ATOM 589 CG LEU A 50 1.021 -22.574 9.684 1.00 42.21 C ATOM 590 CD1 LEU A 50 1.499 -21.486 10.616 1.00 1.11 C ATOM 591 CD2 LEU A 50 0.561 -21.984 8.365 1.00 75.14 C ATOM 0 H LEU A 50 3.758 -25.578 9.384 1.00 3.45 H new ATOM 0 HA LEU A 50 2.685 -23.860 11.514 1.00 53.21 H new ATOM 0 HB2 LEU A 50 3.026 -23.074 9.150 1.00 11.31 H new ATOM 0 HB3 LEU A 50 1.830 -24.245 8.631 1.00 11.31 H new ATOM 0 HG LEU A 50 0.170 -23.076 10.144 1.00 42.21 H new ATOM 0 HD11 LEU A 50 0.701 -20.759 10.766 1.00 1.11 H new ATOM 0 HD12 LEU A 50 1.776 -21.924 11.575 1.00 1.11 H new ATOM 0 HD13 LEU A 50 2.366 -20.989 10.181 1.00 1.11 H new ATOM 0 HD21 LEU A 50 -0.226 -21.253 8.548 1.00 75.14 H new ATOM 0 HD22 LEU A 50 1.402 -21.496 7.872 1.00 75.14 H new ATOM 0 HD23 LEU A 50 0.177 -22.778 7.725 1.00 75.14 H new ATOM 603 N ASP A 51 1.009 -25.553 12.230 1.00 54.24 N ATOM 604 CA ASP A 51 -0.056 -26.412 12.698 1.00 54.43 C ATOM 605 C ASP A 51 -1.424 -25.823 12.355 1.00 2.13 C ATOM 606 O ASP A 51 -1.527 -24.734 11.758 1.00 24.32 O ATOM 607 CB ASP A 51 0.090 -26.635 14.208 1.00 65.35 C ATOM 608 CG ASP A 51 0.236 -25.337 14.953 1.00 21.42 C ATOM 609 OD1 ASP A 51 1.388 -24.838 15.070 1.00 75.42 O ATOM 610 OD2 ASP A 51 -0.774 -24.771 15.374 1.00 11.13 O ATOM 0 H ASP A 51 1.480 -25.041 12.975 1.00 54.24 H new ATOM 0 HA ASP A 51 0.017 -27.375 12.193 1.00 54.43 H new ATOM 0 HB2 ASP A 51 -0.781 -27.173 14.582 1.00 65.35 H new ATOM 0 HB3 ASP A 51 0.959 -27.264 14.400 1.00 65.35 H new HETATM 615 O 4HH A 52 -5.426 -24.480 13.129 1.00 53.31 O HETATM 616 C 4HH A 52 -4.348 -25.039 13.329 1.00 12.22 C HETATM 617 CA 4HH A 52 -3.816 -26.091 12.388 1.00 33.03 C HETATM 618 N 4HH A 52 -2.475 -26.463 12.811 1.00 42.22 N HETATM 619 CB 4HH A 52 -4.720 -27.301 12.385 1.00 21.31 C HETATM 620 OG 4HH A 52 -4.796 -27.825 13.697 1.00 1.50 O HETATM 621 CJ 4HH A 52 -7.620 -26.943 14.096 1.00 31.50 C HETATM 622 CK 4HH A 52 -9.024 -26.529 13.603 1.00 30.14 C HETATM 623 CL1 4HH A 52 -9.162 -26.981 12.141 1.00 1.44 C HETATM 624 CL2 4HH A 52 -9.039 -25.010 13.666 1.00 71.40 C HETATM 625 CL3 4HH A 52 -11.607 -27.145 14.185 1.00 73.15 C HETATM 626 CM 4HH A 52 -10.083 -27.212 14.555 1.00 35.44 C HETATM 627 OM 4HH A 52 -9.966 -26.669 15.860 1.00 5.31 O HETATM 628 NN 4HH A 52 -12.037 -26.713 12.998 1.00 25.52 N HETATM 629 ON 4HH A 52 -12.399 -27.533 15.026 1.00 71.42 O HETATM 630 P 4HH A 52 -5.980 -28.822 14.057 1.00 4.32 P HETATM 631 O1P 4HH A 52 -6.014 -28.946 15.523 1.00 21.23 O HETATM 632 O2P 4HH A 52 -5.699 -30.115 13.418 1.00 71.31 O HETATM 633 O3P 4HH A 52 -7.251 -28.245 13.579 1.00 43.03 O HETATM 634 CO 4HH A 52 -12.407 -25.313 12.664 1.00 22.03 C HETATM 635 CP 4HH A 52 -12.337 -25.045 11.152 1.00 70.35 C HETATM 636 CQ 4HH A 52 -12.452 -23.566 10.731 1.00 31.34 C HETATM 637 CS 4HH A 52 -12.637 -21.958 12.613 1.00 14.30 C HETATM 638 CT 4HH A 52 -12.062 -20.569 12.823 1.00 62.33 C HETATM 639 NR 4HH A 52 -11.925 -22.651 11.539 1.00 14.10 N HETATM 640 OR 4HH A 52 -12.990 -23.259 9.666 1.00 1.25 O HETATM 641 SU 4HH A 52 -12.047 -19.605 11.301 1.00 4.12 S ATOM 667 N ILE A 53 -3.603 -24.809 14.368 1.00 74.20 N ATOM 668 CA ILE A 53 -3.941 -23.826 15.338 1.00 3.41 C ATOM 669 C ILE A 53 -3.292 -22.540 14.925 1.00 44.22 C ATOM 670 O ILE A 53 -3.925 -21.496 14.909 1.00 51.12 O ATOM 671 CB ILE A 53 -3.496 -24.229 16.756 1.00 32.05 C ATOM 672 CG1 ILE A 53 -4.194 -25.536 17.186 1.00 2.31 C ATOM 673 CG2 ILE A 53 -3.768 -23.101 17.763 1.00 12.50 C ATOM 674 CD1 ILE A 53 -5.722 -25.479 17.177 1.00 42.25 C ATOM 0 H ILE A 53 -2.735 -25.307 14.563 1.00 74.20 H new ATOM 0 HA ILE A 53 -5.025 -23.719 15.380 1.00 3.41 H new ATOM 0 HB ILE A 53 -2.420 -24.403 16.740 1.00 32.05 H new ATOM 0 HG12 ILE A 53 -3.870 -26.339 16.524 1.00 2.31 H new ATOM 0 HG13 ILE A 53 -3.860 -25.797 18.190 1.00 2.31 H new ATOM 0 HG21 ILE A 53 -3.444 -23.413 18.756 1.00 12.50 H new ATOM 0 HG22 ILE A 53 -3.218 -22.208 17.466 1.00 12.50 H new ATOM 0 HG23 ILE A 53 -4.835 -22.880 17.783 1.00 12.50 H new ATOM 0 HD11 ILE A 53 -6.124 -26.442 17.493 1.00 42.25 H new ATOM 0 HD12 ILE A 53 -6.061 -24.702 17.862 1.00 42.25 H new ATOM 0 HD13 ILE A 53 -6.072 -25.253 16.170 1.00 42.25 H new ATOM 686 N ARG A 54 -2.034 -22.617 14.556 1.00 30.23 N ATOM 687 CA ARG A 54 -1.356 -21.501 13.994 1.00 52.44 C ATOM 688 C ARG A 54 -2.033 -21.041 12.746 1.00 60.45 C ATOM 689 O ARG A 54 -2.193 -19.854 12.538 1.00 74.12 O ATOM 690 CB ARG A 54 0.052 -21.810 13.699 1.00 33.41 C ATOM 691 CG ARG A 54 0.947 -21.715 14.875 1.00 54.30 C ATOM 692 CD ARG A 54 2.321 -21.860 14.377 1.00 63.23 C ATOM 693 NE ARG A 54 3.355 -21.654 15.383 1.00 2.35 N ATOM 694 CZ ARG A 54 4.159 -22.621 15.814 1.00 45.33 C ATOM 695 NH1 ARG A 54 3.769 -23.903 15.740 1.00 33.13 N ATOM 696 NH2 ARG A 54 5.316 -22.307 16.392 1.00 64.54 N ATOM 0 H ARG A 54 -1.464 -23.459 14.642 1.00 30.23 H new ATOM 0 HA ARG A 54 -1.387 -20.705 14.738 1.00 52.44 H new ATOM 0 HB2 ARG A 54 0.114 -22.818 13.288 1.00 33.41 H new ATOM 0 HB3 ARG A 54 0.409 -21.128 12.927 1.00 33.41 H new ATOM 0 HG2 ARG A 54 0.819 -20.759 15.382 1.00 54.30 H new ATOM 0 HG3 ARG A 54 0.715 -22.494 15.601 1.00 54.30 H new ATOM 0 HD2 ARG A 54 2.437 -22.858 13.955 1.00 63.23 H new ATOM 0 HD3 ARG A 54 2.476 -21.150 13.565 1.00 63.23 H new ATOM 0 HE ARG A 54 3.468 -20.720 15.777 1.00 2.35 H new ATOM 0 HH11 ARG A 54 2.855 -24.136 15.353 1.00 33.13 H new ATOM 0 HH12 ARG A 54 4.387 -24.644 16.071 1.00 33.13 H new ATOM 0 HH21 ARG A 54 5.582 -21.328 16.502 1.00 64.54 H new ATOM 0 HH22 ARG A 54 5.937 -23.045 16.725 1.00 64.54 H new ATOM 710 N LEU A 55 -2.472 -21.977 11.927 1.00 50.13 N ATOM 711 CA LEU A 55 -3.168 -21.612 10.726 1.00 55.24 C ATOM 712 C LEU A 55 -4.574 -21.089 11.022 1.00 51.40 C ATOM 713 O LEU A 55 -5.042 -20.177 10.349 1.00 71.41 O ATOM 714 CB LEU A 55 -3.191 -22.733 9.695 1.00 75.45 C ATOM 715 CG LEU A 55 -3.865 -22.375 8.367 1.00 33.55 C ATOM 716 CD1 LEU A 55 -3.237 -21.167 7.752 1.00 55.52 C ATOM 717 CD2 LEU A 55 -3.783 -23.500 7.408 1.00 54.43 C ATOM 0 H LEU A 55 -2.358 -22.980 12.075 1.00 50.13 H new ATOM 0 HA LEU A 55 -2.601 -20.795 10.280 1.00 55.24 H new ATOM 0 HB2 LEU A 55 -2.165 -23.042 9.493 1.00 75.45 H new ATOM 0 HB3 LEU A 55 -3.704 -23.593 10.126 1.00 75.45 H new ATOM 0 HG LEU A 55 -4.911 -22.164 8.587 1.00 33.55 H new ATOM 0 HD11 LEU A 55 -3.736 -20.937 6.811 1.00 55.52 H new ATOM 0 HD12 LEU A 55 -3.335 -20.320 8.431 1.00 55.52 H new ATOM 0 HD13 LEU A 55 -2.181 -21.361 7.565 1.00 55.52 H new ATOM 0 HD21 LEU A 55 -4.269 -23.218 6.474 1.00 54.43 H new ATOM 0 HD22 LEU A 55 -2.737 -23.738 7.215 1.00 54.43 H new ATOM 0 HD23 LEU A 55 -4.282 -24.373 7.828 1.00 54.43 H new ATOM 729 N MET A 56 -5.243 -21.627 12.050 1.00 24.14 N ATOM 730 CA MET A 56 -6.575 -21.106 12.403 1.00 32.31 C ATOM 731 C MET A 56 -6.404 -19.669 12.890 1.00 14.23 C ATOM 732 O MET A 56 -7.232 -18.790 12.642 1.00 20.32 O ATOM 733 CB MET A 56 -7.289 -21.966 13.487 1.00 71.22 C ATOM 734 CG MET A 56 -6.931 -21.655 14.933 1.00 2.14 C ATOM 735 SD MET A 56 -8.368 -21.308 15.952 1.00 2.42 S ATOM 736 CE MET A 56 -8.991 -19.867 15.112 1.00 74.41 C ATOM 0 H MET A 56 -4.904 -22.392 12.633 1.00 24.14 H new ATOM 0 HA MET A 56 -7.211 -21.146 11.519 1.00 32.31 H new ATOM 0 HB2 MET A 56 -8.366 -21.845 13.367 1.00 71.22 H new ATOM 0 HB3 MET A 56 -7.063 -23.015 13.296 1.00 71.22 H new ATOM 0 HG2 MET A 56 -6.387 -22.499 15.357 1.00 2.14 H new ATOM 0 HG3 MET A 56 -6.258 -20.798 14.959 1.00 2.14 H new ATOM 0 HE1 MET A 56 -9.804 -19.430 15.693 1.00 74.41 H new ATOM 0 HE2 MET A 56 -8.190 -19.136 15.001 1.00 74.41 H new ATOM 0 HE3 MET A 56 -9.361 -20.152 14.127 1.00 74.41 H new ATOM 746 N ARG A 57 -5.287 -19.456 13.537 1.00 42.01 N ATOM 747 CA ARG A 57 -4.891 -18.198 14.038 1.00 13.43 C ATOM 748 C ARG A 57 -4.518 -17.253 12.892 1.00 42.11 C ATOM 749 O ARG A 57 -4.639 -16.054 13.007 1.00 13.34 O ATOM 750 CB ARG A 57 -3.746 -18.429 14.951 1.00 44.24 C ATOM 751 CG ARG A 57 -3.012 -17.227 15.418 1.00 72.11 C ATOM 752 CD ARG A 57 -2.041 -17.682 16.427 1.00 20.21 C ATOM 753 NE ARG A 57 -0.956 -16.730 16.632 1.00 0.30 N ATOM 754 CZ ARG A 57 0.350 -17.052 16.564 1.00 21.12 C ATOM 755 NH1 ARG A 57 0.733 -18.336 16.522 1.00 63.04 N ATOM 756 NH2 ARG A 57 1.271 -16.101 16.586 1.00 43.42 N ATOM 0 H ARG A 57 -4.612 -20.196 13.729 1.00 42.01 H new ATOM 0 HA ARG A 57 -5.707 -17.720 14.579 1.00 13.43 H new ATOM 0 HB2 ARG A 57 -4.112 -18.965 15.826 1.00 44.24 H new ATOM 0 HB3 ARG A 57 -3.037 -19.086 14.448 1.00 44.24 H new ATOM 0 HG2 ARG A 57 -2.504 -16.738 14.587 1.00 72.11 H new ATOM 0 HG3 ARG A 57 -3.699 -16.497 15.846 1.00 72.11 H new ATOM 0 HD2 ARG A 57 -2.557 -17.848 17.373 1.00 20.21 H new ATOM 0 HD3 ARG A 57 -1.624 -18.641 16.118 1.00 20.21 H new ATOM 0 HE ARG A 57 -1.201 -15.762 16.839 1.00 0.30 H new ATOM 0 HH11 ARG A 57 0.033 -19.078 16.541 1.00 63.04 H new ATOM 0 HH12 ARG A 57 1.724 -18.571 16.471 1.00 63.04 H new ATOM 0 HH21 ARG A 57 0.992 -15.122 16.655 1.00 43.42 H new ATOM 0 HH22 ARG A 57 2.260 -16.347 16.534 1.00 43.42 H new ATOM 770 N TRP A 58 -4.075 -17.792 11.773 1.00 40.32 N ATOM 771 CA TRP A 58 -3.837 -16.932 10.650 1.00 45.34 C ATOM 772 C TRP A 58 -5.145 -16.597 9.983 1.00 74.22 C ATOM 773 O TRP A 58 -5.312 -15.523 9.436 1.00 24.54 O ATOM 774 CB TRP A 58 -2.830 -17.503 9.655 1.00 45.14 C ATOM 775 CG TRP A 58 -1.404 -17.442 10.125 1.00 63.20 C ATOM 776 CD1 TRP A 58 -0.552 -18.483 10.307 1.00 14.33 C ATOM 777 CD2 TRP A 58 -0.670 -16.259 10.474 1.00 54.53 C ATOM 778 NE1 TRP A 58 0.675 -18.025 10.732 1.00 75.53 N ATOM 779 CE2 TRP A 58 0.627 -16.658 10.837 1.00 54.42 C ATOM 780 CE3 TRP A 58 -0.985 -14.901 10.504 1.00 72.13 C ATOM 781 CZ2 TRP A 58 1.610 -15.741 11.221 1.00 52.54 C ATOM 782 CZ3 TRP A 58 -0.017 -13.998 10.887 1.00 4.34 C ATOM 783 CH2 TRP A 58 1.262 -14.419 11.236 1.00 53.10 C ATOM 0 H TRP A 58 -3.881 -18.783 11.626 1.00 40.32 H new ATOM 0 HA TRP A 58 -3.381 -16.018 11.030 1.00 45.34 H new ATOM 0 HB2 TRP A 58 -3.089 -18.541 9.447 1.00 45.14 H new ATOM 0 HB3 TRP A 58 -2.915 -16.959 8.715 1.00 45.14 H new ATOM 0 HD1 TRP A 58 -0.801 -19.521 10.142 1.00 14.33 H new ATOM 0 HE1 TRP A 58 1.487 -18.607 10.936 1.00 75.53 H new ATOM 0 HE3 TRP A 58 -1.973 -14.562 10.231 1.00 72.13 H new ATOM 0 HZ2 TRP A 58 2.604 -16.064 11.495 1.00 52.54 H new ATOM 0 HZ3 TRP A 58 -0.256 -12.945 10.917 1.00 4.34 H new ATOM 0 HH2 TRP A 58 1.998 -13.684 11.526 1.00 53.10 H new ATOM 794 N LEU A 59 -6.103 -17.497 10.098 1.00 73.42 N ATOM 795 CA LEU A 59 -7.394 -17.288 9.502 1.00 53.13 C ATOM 796 C LEU A 59 -8.138 -16.177 10.235 1.00 31.10 C ATOM 797 O LEU A 59 -8.728 -15.304 9.598 1.00 72.31 O ATOM 798 CB LEU A 59 -8.216 -18.595 9.450 1.00 1.33 C ATOM 799 CG LEU A 59 -9.377 -18.652 8.416 1.00 1.21 C ATOM 800 CD1 LEU A 59 -10.516 -17.735 8.759 1.00 21.05 C ATOM 801 CD2 LEU A 59 -8.868 -18.308 7.037 1.00 65.41 C ATOM 0 H LEU A 59 -6.004 -18.379 10.601 1.00 73.42 H new ATOM 0 HA LEU A 59 -7.248 -16.973 8.469 1.00 53.13 H new ATOM 0 HB2 LEU A 59 -7.533 -19.418 9.240 1.00 1.33 H new ATOM 0 HB3 LEU A 59 -8.634 -18.773 10.441 1.00 1.33 H new ATOM 0 HG LEU A 59 -9.757 -19.674 8.440 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -11.294 -17.821 8.000 1.00 21.05 H new ATOM 0 HD12 LEU A 59 -10.925 -18.011 9.731 1.00 21.05 H new ATOM 0 HD13 LEU A 59 -10.157 -16.707 8.796 1.00 21.05 H new ATOM 0 HD21 LEU A 59 -9.691 -18.352 6.324 1.00 65.41 H new ATOM 0 HD22 LEU A 59 -8.448 -17.302 7.045 1.00 65.41 H new ATOM 0 HD23 LEU A 59 -8.097 -19.021 6.745 1.00 65.41 H new ATOM 813 N HIS A 60 -8.086 -16.162 11.568 1.00 72.50 N ATOM 814 CA HIS A 60 -8.781 -15.095 12.288 1.00 74.32 C ATOM 815 C HIS A 60 -8.044 -13.756 12.083 1.00 51.22 C ATOM 816 O HIS A 60 -8.617 -12.683 12.211 1.00 4.42 O ATOM 817 CB HIS A 60 -9.097 -15.445 13.794 1.00 12.21 C ATOM 818 CG HIS A 60 -8.023 -15.237 14.841 1.00 72.21 C ATOM 819 ND1 HIS A 60 -6.695 -15.131 14.732 1.00 21.11 N flip ATOM 820 CD2 HIS A 60 -8.293 -15.158 16.195 1.00 0.54 C flip ATOM 821 CE1 HIS A 60 -6.129 -14.993 15.999 1.00 25.31 C flip ATOM 822 NE2 HIS A 60 -7.135 -15.013 16.841 1.00 74.15 N flip ATOM 0 H HIS A 60 -7.595 -16.842 12.148 1.00 72.50 H new ATOM 0 HA HIS A 60 -9.775 -14.986 11.853 1.00 74.32 H new ATOM 0 HB2 HIS A 60 -9.965 -14.857 14.093 1.00 12.21 H new ATOM 0 HB3 HIS A 60 -9.394 -16.493 13.832 1.00 12.21 H new ATOM 0 HD1 HIS A 60 -6.174 -15.148 13.855 1.00 21.11 H new ATOM 0 HD2 HIS A 60 -9.271 -15.205 16.650 1.00 0.54 H new ATOM 0 HE1 HIS A 60 -5.081 -14.891 16.238 1.00 25.31 H new ATOM 830 N TRP A 61 -6.785 -13.870 11.686 1.00 15.41 N ATOM 831 CA TRP A 61 -5.946 -12.748 11.320 1.00 14.32 C ATOM 832 C TRP A 61 -6.357 -12.248 9.915 1.00 41.34 C ATOM 833 O TRP A 61 -6.101 -11.122 9.562 1.00 25.02 O ATOM 834 CB TRP A 61 -4.468 -13.196 11.374 1.00 12.31 C ATOM 835 CG TRP A 61 -3.436 -12.191 10.947 1.00 11.11 C ATOM 836 CD1 TRP A 61 -2.800 -11.276 11.733 1.00 60.21 C ATOM 837 CD2 TRP A 61 -2.888 -12.041 9.631 1.00 60.54 C ATOM 838 NE1 TRP A 61 -1.907 -10.549 10.977 1.00 1.54 N ATOM 839 CE2 TRP A 61 -1.939 -11.008 9.686 1.00 22.31 C ATOM 840 CE3 TRP A 61 -3.116 -12.682 8.411 1.00 1.33 C ATOM 841 CZ2 TRP A 61 -1.219 -10.602 8.571 1.00 45.51 C ATOM 842 CZ3 TRP A 61 -2.400 -12.279 7.309 1.00 43.44 C ATOM 843 CH2 TRP A 61 -1.465 -11.250 7.395 1.00 0.51 C ATOM 0 H TRP A 61 -6.311 -14.770 11.609 1.00 15.41 H new ATOM 0 HA TRP A 61 -6.071 -11.918 12.015 1.00 14.32 H new ATOM 0 HB2 TRP A 61 -4.243 -13.500 12.396 1.00 12.31 H new ATOM 0 HB3 TRP A 61 -4.359 -14.081 10.747 1.00 12.31 H new ATOM 0 HD1 TRP A 61 -2.971 -11.141 12.791 1.00 60.21 H new ATOM 0 HE1 TRP A 61 -1.317 -9.792 11.322 1.00 1.54 H new ATOM 0 HE3 TRP A 61 -3.841 -13.479 8.335 1.00 1.33 H new ATOM 0 HZ2 TRP A 61 -0.493 -9.805 8.631 1.00 45.51 H new ATOM 0 HZ3 TRP A 61 -2.565 -12.768 6.361 1.00 43.44 H new ATOM 0 HH2 TRP A 61 -0.921 -10.958 6.509 1.00 0.51 H new ATOM 854 N PHE A 62 -6.968 -13.101 9.115 1.00 23.24 N ATOM 855 CA PHE A 62 -7.560 -12.650 7.863 1.00 3.35 C ATOM 856 C PHE A 62 -8.928 -12.053 8.139 1.00 42.30 C ATOM 857 O PHE A 62 -9.307 -11.025 7.576 1.00 44.32 O ATOM 858 CB PHE A 62 -7.648 -13.759 6.786 1.00 40.52 C ATOM 859 CG PHE A 62 -6.333 -14.100 6.151 1.00 43.11 C ATOM 860 CD1 PHE A 62 -5.818 -13.285 5.177 1.00 61.23 C ATOM 861 CD2 PHE A 62 -5.621 -15.222 6.517 1.00 32.54 C ATOM 862 CE1 PHE A 62 -4.617 -13.578 4.580 1.00 4.52 C ATOM 863 CE2 PHE A 62 -4.416 -15.524 5.922 1.00 32.43 C ATOM 864 CZ PHE A 62 -3.913 -14.700 4.952 1.00 22.03 C ATOM 0 H PHE A 62 -7.069 -14.098 9.303 1.00 23.24 H new ATOM 0 HA PHE A 62 -6.898 -11.890 7.448 1.00 3.35 H new ATOM 0 HB2 PHE A 62 -8.065 -14.659 7.239 1.00 40.52 H new ATOM 0 HB3 PHE A 62 -8.343 -13.442 6.009 1.00 40.52 H new ATOM 0 HD1 PHE A 62 -6.363 -12.403 4.876 1.00 61.23 H new ATOM 0 HD2 PHE A 62 -6.014 -15.875 7.282 1.00 32.54 H new ATOM 0 HE1 PHE A 62 -4.223 -12.925 3.815 1.00 4.52 H new ATOM 0 HE2 PHE A 62 -3.870 -16.407 6.220 1.00 32.43 H new ATOM 0 HZ PHE A 62 -2.969 -14.929 4.481 1.00 22.03 H new ATOM 874 N ARG A 63 -9.652 -12.671 9.060 1.00 31.24 N ATOM 875 CA ARG A 63 -10.982 -12.196 9.461 1.00 12.34 C ATOM 876 C ARG A 63 -10.894 -10.799 10.067 1.00 23.33 C ATOM 877 O ARG A 63 -11.847 -10.041 10.017 1.00 42.34 O ATOM 878 CB ARG A 63 -11.639 -13.142 10.478 1.00 13.40 C ATOM 879 CG ARG A 63 -11.843 -14.573 9.997 1.00 4.33 C ATOM 880 CD ARG A 63 -12.750 -14.659 8.774 1.00 13.23 C ATOM 881 NE ARG A 63 -14.097 -14.112 9.030 1.00 3.52 N ATOM 882 CZ ARG A 63 -15.226 -14.529 8.427 1.00 43.11 C ATOM 883 NH1 ARG A 63 -15.198 -15.563 7.573 1.00 13.42 N ATOM 884 NH2 ARG A 63 -16.391 -13.919 8.696 1.00 41.53 N ATOM 0 H ARG A 63 -9.344 -13.510 9.551 1.00 31.24 H new ATOM 0 HA ARG A 63 -11.596 -12.169 8.561 1.00 12.34 H new ATOM 0 HB2 ARG A 63 -11.026 -13.163 11.379 1.00 13.40 H new ATOM 0 HB3 ARG A 63 -12.607 -12.729 10.761 1.00 13.40 H new ATOM 0 HG2 ARG A 63 -10.875 -15.013 9.758 1.00 4.33 H new ATOM 0 HG3 ARG A 63 -12.272 -15.166 10.805 1.00 4.33 H new ATOM 0 HD2 ARG A 63 -12.292 -14.116 7.947 1.00 13.23 H new ATOM 0 HD3 ARG A 63 -12.837 -15.700 8.463 1.00 13.23 H new ATOM 0 HE ARG A 63 -14.178 -13.361 9.716 1.00 3.52 H new ATOM 0 HH11 ARG A 63 -14.317 -16.039 7.377 1.00 13.42 H new ATOM 0 HH12 ARG A 63 -16.057 -15.874 7.120 1.00 13.42 H new ATOM 0 HH21 ARG A 63 -16.419 -13.142 9.356 1.00 41.53 H new ATOM 0 HH22 ARG A 63 -17.248 -14.233 8.241 1.00 41.53 H new ATOM 898 N LYS A 64 -9.721 -10.476 10.608 1.00 64.11 N ATOM 899 CA LYS A 64 -9.449 -9.187 11.231 1.00 73.03 C ATOM 900 C LYS A 64 -9.527 -8.047 10.181 1.00 74.40 C ATOM 901 O LYS A 64 -9.769 -6.901 10.515 1.00 21.14 O ATOM 902 CB LYS A 64 -8.043 -9.221 11.883 1.00 53.00 C ATOM 903 CG LYS A 64 -6.931 -8.669 11.017 1.00 33.13 C ATOM 904 CD LYS A 64 -5.587 -8.810 11.667 1.00 34.34 C ATOM 905 CE LYS A 64 -4.493 -8.208 10.773 1.00 45.14 C ATOM 906 NZ LYS A 64 -4.404 -8.878 9.448 1.00 62.42 N ATOM 0 H LYS A 64 -8.924 -11.112 10.625 1.00 64.11 H new ATOM 0 HA LYS A 64 -10.200 -8.994 11.997 1.00 73.03 H new ATOM 0 HB2 LYS A 64 -8.075 -8.655 12.814 1.00 53.00 H new ATOM 0 HB3 LYS A 64 -7.804 -10.252 12.145 1.00 53.00 H new ATOM 0 HG2 LYS A 64 -6.926 -9.189 10.059 1.00 33.13 H new ATOM 0 HG3 LYS A 64 -7.123 -7.617 10.808 1.00 33.13 H new ATOM 0 HD2 LYS A 64 -5.590 -8.310 12.635 1.00 34.34 H new ATOM 0 HD3 LYS A 64 -5.375 -9.863 11.853 1.00 34.34 H new ATOM 0 HE2 LYS A 64 -4.692 -7.146 10.627 1.00 45.14 H new ATOM 0 HE3 LYS A 64 -3.531 -8.285 11.280 1.00 45.14 H new ATOM 0 HZ1 LYS A 64 -3.710 -8.381 8.853 1.00 62.42 H new ATOM 0 HZ2 LYS A 64 -4.104 -9.865 9.578 1.00 62.42 H new ATOM 0 HZ3 LYS A 64 -5.335 -8.857 8.985 1.00 62.42 H new ATOM 920 N ASN A 65 -9.305 -8.399 8.910 1.00 72.35 N ATOM 921 CA ASN A 65 -9.325 -7.423 7.810 1.00 14.01 C ATOM 922 C ASN A 65 -10.671 -7.470 7.129 1.00 43.22 C ATOM 923 O ASN A 65 -10.926 -6.736 6.178 1.00 3.35 O ATOM 924 CB ASN A 65 -8.275 -7.764 6.744 1.00 21.32 C ATOM 925 CG ASN A 65 -6.854 -7.882 7.245 1.00 34.30 C ATOM 926 OD1 ASN A 65 -6.438 -8.939 7.694 1.00 54.44 O ATOM 927 ND2 ASN A 65 -6.093 -6.834 7.136 1.00 20.32 N ATOM 0 H ASN A 65 -9.109 -9.355 8.615 1.00 72.35 H new ATOM 0 HA ASN A 65 -9.117 -6.441 8.236 1.00 14.01 H new ATOM 0 HB2 ASN A 65 -8.555 -8.706 6.272 1.00 21.32 H new ATOM 0 HB3 ASN A 65 -8.306 -6.997 5.970 1.00 21.32 H new ATOM 0 HD21 ASN A 65 -5.117 -6.879 7.430 1.00 20.32 H new ATOM 0 HD22 ASN A 65 -6.472 -5.966 6.757 1.00 20.32 H new ATOM 934 N GLY A 66 -11.516 -8.358 7.598 1.00 3.11 N ATOM 935 CA GLY A 66 -12.805 -8.533 6.999 1.00 21.31 C ATOM 936 C GLY A 66 -12.796 -9.568 5.887 1.00 3.42 C ATOM 937 O GLY A 66 -13.747 -9.641 5.102 1.00 71.40 O ATOM 0 H GLY A 66 -11.328 -8.968 8.394 1.00 3.11 H new ATOM 0 HA2 GLY A 66 -13.520 -8.834 7.765 1.00 21.31 H new ATOM 0 HA3 GLY A 66 -13.149 -7.579 6.600 1.00 21.31 H new ATOM 941 N TYR A 67 -11.726 -10.375 5.807 1.00 70.23 N ATOM 942 CA TYR A 67 -11.645 -11.410 4.790 1.00 11.02 C ATOM 943 C TYR A 67 -12.729 -12.441 4.936 1.00 63.43 C ATOM 944 O TYR A 67 -12.897 -13.066 5.995 1.00 32.34 O ATOM 945 CB TYR A 67 -10.285 -12.092 4.742 1.00 55.41 C ATOM 946 CG TYR A 67 -9.229 -11.291 4.042 1.00 54.33 C ATOM 947 CD1 TYR A 67 -9.225 -11.216 2.672 1.00 71.41 C ATOM 948 CD2 TYR A 67 -8.241 -10.619 4.737 1.00 5.41 C ATOM 949 CE1 TYR A 67 -8.278 -10.496 2.012 1.00 15.35 C ATOM 950 CE2 TYR A 67 -7.278 -9.889 4.076 1.00 73.44 C ATOM 951 CZ TYR A 67 -7.307 -9.833 2.710 1.00 50.14 C ATOM 952 OH TYR A 67 -6.368 -9.101 2.029 1.00 21.50 O ATOM 0 H TYR A 67 -10.920 -10.325 6.430 1.00 70.23 H new ATOM 0 HA TYR A 67 -11.789 -10.889 3.844 1.00 11.02 H new ATOM 0 HB2 TYR A 67 -9.956 -12.297 5.761 1.00 55.41 H new ATOM 0 HB3 TYR A 67 -10.389 -13.054 4.241 1.00 55.41 H new ATOM 0 HD1 TYR A 67 -9.985 -11.737 2.109 1.00 71.41 H new ATOM 0 HD2 TYR A 67 -8.224 -10.667 5.816 1.00 5.41 H new ATOM 0 HE1 TYR A 67 -8.293 -10.448 0.933 1.00 15.35 H new ATOM 0 HE2 TYR A 67 -6.510 -9.368 4.629 1.00 73.44 H new ATOM 0 HH TYR A 67 -6.759 -8.759 1.198 1.00 21.50 H new ATOM 962 N ARG A 68 -13.459 -12.620 3.876 1.00 4.11 N ATOM 963 CA ARG A 68 -14.529 -13.569 3.824 1.00 44.40 C ATOM 964 C ARG A 68 -13.962 -14.928 3.443 1.00 13.44 C ATOM 965 O ARG A 68 -14.091 -15.377 2.314 1.00 14.22 O ATOM 966 CB ARG A 68 -15.588 -13.087 2.826 1.00 51.04 C ATOM 967 CG ARG A 68 -16.108 -11.705 3.164 1.00 14.43 C ATOM 968 CD ARG A 68 -16.983 -11.121 2.072 1.00 64.21 C ATOM 969 NE ARG A 68 -17.411 -9.756 2.419 1.00 42.14 N ATOM 970 CZ ARG A 68 -17.488 -8.723 1.554 1.00 34.11 C ATOM 971 NH1 ARG A 68 -17.158 -8.886 0.284 1.00 4.14 N ATOM 972 NH2 ARG A 68 -17.851 -7.518 1.987 1.00 21.40 N ATOM 0 H ARG A 68 -13.325 -12.101 3.008 1.00 4.11 H new ATOM 0 HA ARG A 68 -15.012 -13.663 4.797 1.00 44.40 H new ATOM 0 HB2 ARG A 68 -15.161 -13.077 1.823 1.00 51.04 H new ATOM 0 HB3 ARG A 68 -16.419 -13.792 2.812 1.00 51.04 H new ATOM 0 HG2 ARG A 68 -16.678 -11.753 4.092 1.00 14.43 H new ATOM 0 HG3 ARG A 68 -15.264 -11.038 3.342 1.00 14.43 H new ATOM 0 HD2 ARG A 68 -16.435 -11.107 1.130 1.00 64.21 H new ATOM 0 HD3 ARG A 68 -17.858 -11.754 1.923 1.00 64.21 H new ATOM 0 HE ARG A 68 -17.670 -9.577 3.389 1.00 42.14 H new ATOM 0 HH11 ARG A 68 -16.843 -9.797 -0.048 1.00 4.14 H new ATOM 0 HH12 ARG A 68 -17.219 -8.100 -0.364 1.00 4.14 H new ATOM 0 HH21 ARG A 68 -18.071 -7.375 2.973 1.00 21.40 H new ATOM 0 HH22 ARG A 68 -17.909 -6.737 1.333 1.00 21.40 H new ATOM 986 N LEU A 69 -13.253 -15.509 4.387 1.00 33.43 N ATOM 987 CA LEU A 69 -12.585 -16.785 4.221 1.00 24.31 C ATOM 988 C LEU A 69 -12.873 -17.647 5.432 1.00 30.44 C ATOM 989 O LEU A 69 -13.204 -17.114 6.519 1.00 25.41 O ATOM 990 CB LEU A 69 -11.054 -16.570 4.156 1.00 55.45 C ATOM 991 CG LEU A 69 -10.501 -15.704 3.016 1.00 42.33 C ATOM 992 CD1 LEU A 69 -9.014 -15.456 3.221 1.00 41.44 C ATOM 993 CD2 LEU A 69 -10.718 -16.384 1.685 1.00 62.34 C ATOM 0 H LEU A 69 -13.121 -15.100 5.312 1.00 33.43 H new ATOM 0 HA LEU A 69 -12.940 -17.257 3.305 1.00 24.31 H new ATOM 0 HB2 LEU A 69 -10.738 -16.124 5.099 1.00 55.45 H new ATOM 0 HB3 LEU A 69 -10.581 -17.550 4.092 1.00 55.45 H new ATOM 0 HG LEU A 69 -11.031 -14.751 3.020 1.00 42.33 H new ATOM 0 HD11 LEU A 69 -8.632 -14.841 2.406 1.00 41.44 H new ATOM 0 HD12 LEU A 69 -8.858 -14.941 4.169 1.00 41.44 H new ATOM 0 HD13 LEU A 69 -8.485 -16.409 3.235 1.00 41.44 H new ATOM 0 HD21 LEU A 69 -10.320 -15.757 0.887 1.00 62.34 H new ATOM 0 HD22 LEU A 69 -10.206 -17.346 1.680 1.00 62.34 H new ATOM 0 HD23 LEU A 69 -11.785 -16.540 1.526 1.00 62.34 H new ATOM 1005 N THR A 70 -12.790 -18.933 5.257 1.00 63.22 N ATOM 1006 CA THR A 70 -12.861 -19.866 6.339 1.00 4.05 C ATOM 1007 C THR A 70 -11.508 -20.562 6.370 1.00 44.00 C ATOM 1008 O THR A 70 -10.695 -20.347 5.455 1.00 62.32 O ATOM 1009 CB THR A 70 -13.997 -20.917 6.148 1.00 72.52 C ATOM 1010 OG1 THR A 70 -13.721 -21.761 5.032 1.00 24.34 O ATOM 1011 CG2 THR A 70 -15.338 -20.235 5.926 1.00 52.31 C ATOM 0 H THR A 70 -12.669 -19.369 4.343 1.00 63.22 H new ATOM 0 HA THR A 70 -13.089 -19.347 7.270 1.00 4.05 H new ATOM 0 HB THR A 70 -14.042 -21.516 7.058 1.00 72.52 H new ATOM 0 HG1 THR A 70 -13.733 -21.229 4.209 1.00 24.34 H new ATOM 0 HG21 THR A 70 -16.113 -20.990 5.796 1.00 52.31 H new ATOM 0 HG22 THR A 70 -15.578 -19.614 6.789 1.00 52.31 H new ATOM 0 HG23 THR A 70 -15.286 -19.611 5.034 1.00 52.31 H new ATOM 1019 N LEU A 71 -11.242 -21.389 7.369 1.00 44.10 N ATOM 1020 CA LEU A 71 -9.931 -22.021 7.468 1.00 11.22 C ATOM 1021 C LEU A 71 -9.674 -22.931 6.295 1.00 13.52 C ATOM 1022 O LEU A 71 -8.570 -22.952 5.779 1.00 2.14 O ATOM 1023 CB LEU A 71 -9.782 -22.808 8.771 1.00 10.43 C ATOM 1024 CG LEU A 71 -8.414 -23.419 9.046 1.00 51.41 C ATOM 1025 CD1 LEU A 71 -7.342 -22.372 9.003 1.00 75.51 C ATOM 1026 CD2 LEU A 71 -8.402 -24.073 10.388 1.00 20.35 C ATOM 0 H LEU A 71 -11.899 -21.636 8.109 1.00 44.10 H new ATOM 0 HA LEU A 71 -9.193 -21.219 7.462 1.00 11.22 H new ATOM 0 HB2 LEU A 71 -10.032 -22.145 9.600 1.00 10.43 H new ATOM 0 HB3 LEU A 71 -10.520 -23.610 8.771 1.00 10.43 H new ATOM 0 HG LEU A 71 -8.218 -24.161 8.272 1.00 51.41 H new ATOM 0 HD11 LEU A 71 -6.375 -22.833 9.202 1.00 75.51 H new ATOM 0 HD12 LEU A 71 -7.326 -21.908 8.017 1.00 75.51 H new ATOM 0 HD13 LEU A 71 -7.544 -21.613 9.758 1.00 75.51 H new ATOM 0 HD21 LEU A 71 -7.419 -24.506 10.573 1.00 20.35 H new ATOM 0 HD22 LEU A 71 -8.622 -23.332 11.156 1.00 20.35 H new ATOM 0 HD23 LEU A 71 -9.156 -24.860 10.416 1.00 20.35 H new ATOM 1038 N ARG A 72 -10.739 -23.594 5.832 1.00 41.21 N ATOM 1039 CA ARG A 72 -10.685 -24.634 4.789 1.00 52.43 C ATOM 1040 C ARG A 72 -9.839 -24.194 3.597 1.00 33.45 C ATOM 1041 O ARG A 72 -8.987 -24.935 3.133 1.00 74.42 O ATOM 1042 CB ARG A 72 -12.058 -24.893 4.236 1.00 40.05 C ATOM 1043 CG ARG A 72 -13.160 -25.105 5.244 1.00 2.14 C ATOM 1044 CD ARG A 72 -14.471 -25.241 4.508 1.00 41.10 C ATOM 1045 NE ARG A 72 -14.661 -24.117 3.573 1.00 62.25 N ATOM 1046 CZ ARG A 72 -15.727 -23.836 2.849 1.00 55.23 C ATOM 1047 NH1 ARG A 72 -16.864 -24.535 2.989 1.00 72.12 N ATOM 1048 NH2 ARG A 72 -15.648 -22.835 1.983 1.00 13.22 N ATOM 0 H ARG A 72 -11.684 -23.422 6.176 1.00 41.21 H new ATOM 0 HA ARG A 72 -10.259 -25.518 5.264 1.00 52.43 H new ATOM 0 HB2 ARG A 72 -12.334 -24.052 3.600 1.00 40.05 H new ATOM 0 HB3 ARG A 72 -12.007 -25.773 3.595 1.00 40.05 H new ATOM 0 HG2 ARG A 72 -12.964 -26.000 5.835 1.00 2.14 H new ATOM 0 HG3 ARG A 72 -13.202 -24.267 5.939 1.00 2.14 H new ATOM 0 HD2 ARG A 72 -14.491 -26.183 3.961 1.00 41.10 H new ATOM 0 HD3 ARG A 72 -15.294 -25.270 5.222 1.00 41.10 H new ATOM 0 HE ARG A 72 -13.872 -23.479 3.474 1.00 62.25 H new ATOM 0 HH11 ARG A 72 -16.914 -25.298 3.664 1.00 72.12 H new ATOM 0 HH12 ARG A 72 -17.678 -24.303 2.420 1.00 72.12 H new ATOM 0 HH21 ARG A 72 -14.780 -22.307 1.891 1.00 13.22 H new ATOM 0 HH22 ARG A 72 -16.455 -22.593 1.408 1.00 13.22 H new ATOM 1062 N GLU A 73 -10.087 -22.969 3.135 1.00 25.12 N ATOM 1063 CA GLU A 73 -9.423 -22.406 1.968 1.00 60.31 C ATOM 1064 C GLU A 73 -7.895 -22.396 2.115 1.00 64.55 C ATOM 1065 O GLU A 73 -7.176 -22.867 1.230 1.00 4.21 O ATOM 1066 CB GLU A 73 -9.939 -20.982 1.644 1.00 54.23 C ATOM 1067 CG GLU A 73 -11.405 -20.879 1.159 1.00 22.52 C ATOM 1068 CD GLU A 73 -12.444 -21.234 2.201 1.00 40.03 C ATOM 1069 OE1 GLU A 73 -12.754 -20.394 3.044 1.00 14.02 O ATOM 1070 OE2 GLU A 73 -12.968 -22.365 2.195 1.00 40.15 O ATOM 0 H GLU A 73 -10.761 -22.337 3.567 1.00 25.12 H new ATOM 0 HA GLU A 73 -9.673 -23.060 1.133 1.00 60.31 H new ATOM 0 HB2 GLU A 73 -9.830 -20.367 2.537 1.00 54.23 H new ATOM 0 HB3 GLU A 73 -9.294 -20.550 0.879 1.00 54.23 H new ATOM 0 HG2 GLU A 73 -11.589 -19.861 0.815 1.00 22.52 H new ATOM 0 HG3 GLU A 73 -11.535 -21.535 0.298 1.00 22.52 H new ATOM 1077 N LEU A 74 -7.400 -21.917 3.252 1.00 72.53 N ATOM 1078 CA LEU A 74 -5.945 -21.819 3.444 1.00 64.05 C ATOM 1079 C LEU A 74 -5.407 -23.170 3.828 1.00 32.54 C ATOM 1080 O LEU A 74 -4.259 -23.482 3.624 1.00 4.22 O ATOM 1081 CB LEU A 74 -5.566 -20.920 4.619 1.00 33.14 C ATOM 1082 CG LEU A 74 -6.274 -19.613 4.813 1.00 23.41 C ATOM 1083 CD1 LEU A 74 -5.625 -18.859 5.945 1.00 4.31 C ATOM 1084 CD2 LEU A 74 -6.326 -18.771 3.570 1.00 13.31 C ATOM 0 H LEU A 74 -7.963 -21.596 4.040 1.00 72.53 H new ATOM 0 HA LEU A 74 -5.544 -21.426 2.510 1.00 64.05 H new ATOM 0 HB2 LEU A 74 -5.701 -21.502 5.531 1.00 33.14 H new ATOM 0 HB3 LEU A 74 -4.501 -20.704 4.533 1.00 33.14 H new ATOM 0 HG LEU A 74 -7.312 -19.839 5.059 1.00 23.41 H new ATOM 0 HD11 LEU A 74 -6.137 -17.908 6.089 1.00 4.31 H new ATOM 0 HD12 LEU A 74 -5.690 -19.449 6.859 1.00 4.31 H new ATOM 0 HD13 LEU A 74 -4.578 -18.675 5.706 1.00 4.31 H new ATOM 0 HD21 LEU A 74 -6.852 -17.840 3.783 1.00 13.31 H new ATOM 0 HD22 LEU A 74 -5.312 -18.547 3.240 1.00 13.31 H new ATOM 0 HD23 LEU A 74 -6.852 -19.314 2.785 1.00 13.31 H new ATOM 1096 N TYR A 75 -6.263 -23.923 4.432 1.00 73.11 N ATOM 1097 CA TYR A 75 -5.948 -25.190 5.029 1.00 31.43 C ATOM 1098 C TYR A 75 -5.748 -26.243 3.938 1.00 0.13 C ATOM 1099 O TYR A 75 -4.962 -27.170 4.094 1.00 12.33 O ATOM 1100 CB TYR A 75 -7.125 -25.515 5.939 1.00 65.30 C ATOM 1101 CG TYR A 75 -6.936 -26.421 7.079 1.00 3.43 C ATOM 1102 CD1 TYR A 75 -5.694 -26.838 7.515 1.00 40.22 C ATOM 1103 CD2 TYR A 75 -8.046 -26.808 7.773 1.00 30.35 C ATOM 1104 CE1 TYR A 75 -5.586 -27.644 8.621 1.00 45.30 C ATOM 1105 CE2 TYR A 75 -7.965 -27.585 8.862 1.00 62.34 C ATOM 1106 CZ TYR A 75 -6.728 -28.017 9.297 1.00 2.11 C ATOM 1107 OH TYR A 75 -6.625 -28.795 10.408 1.00 3.43 O ATOM 0 H TYR A 75 -7.245 -23.667 4.531 1.00 73.11 H new ATOM 0 HA TYR A 75 -5.021 -25.169 5.601 1.00 31.43 H new ATOM 0 HB2 TYR A 75 -7.502 -24.571 6.333 1.00 65.30 H new ATOM 0 HB3 TYR A 75 -7.912 -25.938 5.315 1.00 65.30 H new ATOM 0 HD1 TYR A 75 -4.805 -26.529 6.985 1.00 40.22 H new ATOM 0 HD2 TYR A 75 -9.017 -26.479 7.435 1.00 30.35 H new ATOM 0 HE1 TYR A 75 -4.617 -27.982 8.958 1.00 45.30 H new ATOM 0 HE2 TYR A 75 -8.860 -27.871 9.395 1.00 62.34 H new ATOM 0 HH TYR A 75 -7.519 -28.969 10.769 1.00 3.43 H new ATOM 1117 N ALA A 76 -6.463 -26.079 2.840 1.00 52.03 N ATOM 1118 CA ALA A 76 -6.327 -26.962 1.705 1.00 32.21 C ATOM 1119 C ALA A 76 -5.132 -26.547 0.854 1.00 14.33 C ATOM 1120 O ALA A 76 -4.378 -27.390 0.366 1.00 2.03 O ATOM 1121 CB ALA A 76 -7.601 -26.965 0.872 1.00 65.03 C ATOM 0 H ALA A 76 -7.149 -25.334 2.714 1.00 52.03 H new ATOM 0 HA ALA A 76 -6.158 -27.974 2.072 1.00 32.21 H new ATOM 0 HB1 ALA A 76 -7.478 -27.636 0.022 1.00 65.03 H new ATOM 0 HB2 ALA A 76 -8.436 -27.305 1.485 1.00 65.03 H new ATOM 0 HB3 ALA A 76 -7.803 -25.956 0.512 1.00 65.03 H new ATOM 1127 N ALA A 77 -4.954 -25.249 0.689 1.00 75.32 N ATOM 1128 CA ALA A 77 -3.849 -24.732 -0.089 1.00 64.04 C ATOM 1129 C ALA A 77 -3.061 -23.709 0.717 1.00 73.31 C ATOM 1130 O ALA A 77 -3.358 -22.514 0.674 1.00 3.44 O ATOM 1131 CB ALA A 77 -4.340 -24.119 -1.401 1.00 32.01 C ATOM 0 H ALA A 77 -5.564 -24.534 1.086 1.00 75.32 H new ATOM 0 HA ALA A 77 -3.189 -25.565 -0.332 1.00 64.04 H new ATOM 0 HB1 ALA A 77 -3.489 -23.738 -1.966 1.00 32.01 H new ATOM 0 HB2 ALA A 77 -4.854 -24.880 -1.988 1.00 32.01 H new ATOM 0 HB3 ALA A 77 -5.028 -23.301 -1.186 1.00 32.01 H new ATOM 1137 N PRO A 78 -2.105 -24.158 1.540 1.00 15.23 N ATOM 1138 CA PRO A 78 -1.306 -23.264 2.325 1.00 43.32 C ATOM 1139 C PRO A 78 0.028 -22.920 1.670 1.00 30.23 C ATOM 1140 O PRO A 78 1.050 -23.601 1.907 1.00 51.52 O ATOM 1141 CB PRO A 78 -1.080 -24.055 3.617 1.00 53.32 C ATOM 1142 CG PRO A 78 -1.180 -25.506 3.215 1.00 53.40 C ATOM 1143 CD PRO A 78 -1.788 -25.557 1.828 1.00 54.51 C ATOM 0 HA PRO A 78 -1.795 -22.300 2.466 1.00 43.32 H new ATOM 0 HB2 PRO A 78 -0.104 -23.833 4.049 1.00 53.32 H new ATOM 0 HB3 PRO A 78 -1.827 -23.802 4.369 1.00 53.32 H new ATOM 0 HG2 PRO A 78 -0.195 -25.973 3.219 1.00 53.40 H new ATOM 0 HG3 PRO A 78 -1.797 -26.058 3.924 1.00 53.40 H new ATOM 0 HD2 PRO A 78 -1.090 -25.968 1.099 1.00 54.51 H new ATOM 0 HD3 PRO A 78 -2.680 -26.183 1.804 1.00 54.51 H new ATOM 1151 N THR A 79 0.003 -21.897 0.844 1.00 55.21 N ATOM 1152 CA THR A 79 1.179 -21.354 0.211 1.00 24.05 C ATOM 1153 C THR A 79 0.988 -19.847 0.198 1.00 74.00 C ATOM 1154 O THR A 79 -0.161 -19.371 0.171 1.00 30.42 O ATOM 1155 CB THR A 79 1.401 -21.885 -1.249 1.00 71.31 C ATOM 1156 OG1 THR A 79 0.354 -21.476 -2.133 1.00 34.35 O ATOM 1157 CG2 THR A 79 1.521 -23.403 -1.293 1.00 11.23 C ATOM 0 H THR A 79 -0.857 -21.410 0.590 1.00 55.21 H new ATOM 0 HA THR A 79 2.066 -21.661 0.765 1.00 24.05 H new ATOM 0 HB THR A 79 2.340 -21.445 -1.584 1.00 71.31 H new ATOM 0 HG1 THR A 79 0.743 -21.142 -2.968 1.00 34.35 H new ATOM 0 HG21 THR A 79 1.674 -23.726 -2.323 1.00 11.23 H new ATOM 0 HG22 THR A 79 2.368 -23.719 -0.684 1.00 11.23 H new ATOM 0 HG23 THR A 79 0.607 -23.852 -0.904 1.00 11.23 H new ATOM 1165 N LEU A 80 2.050 -19.100 0.222 1.00 4.34 N ATOM 1166 CA LEU A 80 1.944 -17.668 0.347 1.00 11.53 C ATOM 1167 C LEU A 80 1.384 -16.979 -0.896 1.00 33.12 C ATOM 1168 O LEU A 80 0.556 -16.075 -0.770 1.00 73.33 O ATOM 1169 CB LEU A 80 3.257 -17.056 0.830 1.00 62.33 C ATOM 1170 CG LEU A 80 3.286 -16.604 2.298 1.00 31.54 C ATOM 1171 CD1 LEU A 80 4.701 -16.321 2.732 1.00 34.42 C ATOM 1172 CD2 LEU A 80 2.472 -15.342 2.464 1.00 71.10 C ATOM 0 H LEU A 80 3.004 -19.454 0.157 1.00 4.34 H new ATOM 0 HA LEU A 80 1.196 -17.481 1.118 1.00 11.53 H new ATOM 0 HB2 LEU A 80 4.053 -17.785 0.679 1.00 62.33 H new ATOM 0 HB3 LEU A 80 3.488 -16.197 0.201 1.00 62.33 H new ATOM 0 HG LEU A 80 2.868 -17.403 2.910 1.00 31.54 H new ATOM 0 HD11 LEU A 80 4.705 -16.002 3.774 1.00 34.42 H new ATOM 0 HD12 LEU A 80 5.301 -17.225 2.627 1.00 34.42 H new ATOM 0 HD13 LEU A 80 5.122 -15.531 2.109 1.00 34.42 H new ATOM 0 HD21 LEU A 80 2.497 -15.027 3.507 1.00 71.10 H new ATOM 0 HD22 LEU A 80 2.890 -14.554 1.837 1.00 71.10 H new ATOM 0 HD23 LEU A 80 1.441 -15.533 2.167 1.00 71.10 H new ATOM 1184 N ALA A 81 1.759 -17.426 -2.076 1.00 74.42 N ATOM 1185 CA ALA A 81 1.291 -16.793 -3.302 1.00 73.40 C ATOM 1186 C ALA A 81 -0.187 -17.068 -3.525 1.00 32.30 C ATOM 1187 O ALA A 81 -0.922 -16.195 -4.025 1.00 3.52 O ATOM 1188 CB ALA A 81 2.115 -17.209 -4.509 1.00 44.33 C ATOM 0 H ALA A 81 2.383 -18.220 -2.218 1.00 74.42 H new ATOM 0 HA ALA A 81 1.423 -15.718 -3.182 1.00 73.40 H new ATOM 0 HB1 ALA A 81 1.731 -16.713 -5.400 1.00 44.33 H new ATOM 0 HB2 ALA A 81 3.156 -16.923 -4.355 1.00 44.33 H new ATOM 0 HB3 ALA A 81 2.051 -18.289 -4.639 1.00 44.33 H new ATOM 1194 N ALA A 82 -0.645 -18.258 -3.134 1.00 51.11 N ATOM 1195 CA ALA A 82 -2.062 -18.574 -3.234 1.00 32.23 C ATOM 1196 C ALA A 82 -2.832 -17.710 -2.276 1.00 74.35 C ATOM 1197 O ALA A 82 -3.893 -17.199 -2.610 1.00 33.10 O ATOM 1198 CB ALA A 82 -2.354 -20.031 -2.950 1.00 62.53 C ATOM 0 H ALA A 82 -0.064 -19.004 -2.752 1.00 51.11 H new ATOM 0 HA ALA A 82 -2.370 -18.378 -4.261 1.00 32.23 H new ATOM 0 HB1 ALA A 82 -3.425 -20.211 -3.038 1.00 62.53 H new ATOM 0 HB2 ALA A 82 -1.821 -20.655 -3.667 1.00 62.53 H new ATOM 0 HB3 ALA A 82 -2.027 -20.277 -1.940 1.00 62.53 H new ATOM 1204 N TRP A 83 -2.278 -17.521 -1.094 1.00 42.42 N ATOM 1205 CA TRP A 83 -2.892 -16.677 -0.092 1.00 12.32 C ATOM 1206 C TRP A 83 -2.931 -15.245 -0.540 1.00 71.13 C ATOM 1207 O TRP A 83 -3.910 -14.569 -0.325 1.00 24.34 O ATOM 1208 CB TRP A 83 -2.209 -16.813 1.248 1.00 13.12 C ATOM 1209 CG TRP A 83 -2.436 -18.137 1.895 1.00 13.24 C ATOM 1210 CD1 TRP A 83 -3.226 -19.155 1.455 1.00 61.23 C ATOM 1211 CD2 TRP A 83 -1.879 -18.569 3.109 1.00 65.02 C ATOM 1212 NE1 TRP A 83 -3.182 -20.189 2.327 1.00 63.44 N ATOM 1213 CE2 TRP A 83 -2.372 -19.851 3.363 1.00 21.44 C ATOM 1214 CE3 TRP A 83 -1.014 -17.989 4.001 1.00 71.32 C ATOM 1215 CZ2 TRP A 83 -2.034 -20.563 4.487 1.00 64.01 C ATOM 1216 CZ3 TRP A 83 -0.658 -18.692 5.132 1.00 31.31 C ATOM 1217 CH2 TRP A 83 -1.175 -19.972 5.370 1.00 54.51 C ATOM 0 H TRP A 83 -1.397 -17.945 -0.804 1.00 42.42 H new ATOM 0 HA TRP A 83 -3.920 -17.016 0.033 1.00 12.32 H new ATOM 0 HB2 TRP A 83 -1.138 -16.658 1.119 1.00 13.12 H new ATOM 0 HB3 TRP A 83 -2.567 -16.026 1.912 1.00 13.12 H new ATOM 0 HD1 TRP A 83 -3.804 -19.140 0.543 1.00 61.23 H new ATOM 0 HE1 TRP A 83 -3.676 -21.076 2.223 1.00 63.44 H new ATOM 0 HE3 TRP A 83 -0.619 -17.000 3.821 1.00 71.32 H new ATOM 0 HZ2 TRP A 83 -2.431 -21.551 4.666 1.00 64.01 H new ATOM 0 HZ3 TRP A 83 0.026 -18.251 5.842 1.00 31.31 H new ATOM 0 HH2 TRP A 83 -0.890 -20.501 6.267 1.00 54.51 H new ATOM 1228 N ASN A 84 -1.858 -14.796 -1.159 1.00 22.45 N ATOM 1229 CA ASN A 84 -1.805 -13.460 -1.791 1.00 65.25 C ATOM 1230 C ASN A 84 -2.973 -13.307 -2.775 1.00 62.23 C ATOM 1231 O ASN A 84 -3.698 -12.305 -2.765 1.00 44.21 O ATOM 1232 CB ASN A 84 -0.478 -13.283 -2.538 1.00 61.11 C ATOM 1233 CG ASN A 84 -0.329 -11.929 -3.214 1.00 74.24 C ATOM 1234 OD1 ASN A 84 -0.859 -10.928 -2.768 1.00 51.21 O ATOM 1235 ND2 ASN A 84 0.410 -11.898 -4.296 1.00 14.33 N ATOM 0 H ASN A 84 -0.994 -15.331 -1.247 1.00 22.45 H new ATOM 0 HA ASN A 84 -1.881 -12.698 -1.015 1.00 65.25 H new ATOM 0 HB2 ASN A 84 0.344 -13.420 -1.836 1.00 61.11 H new ATOM 0 HB3 ASN A 84 -0.389 -14.066 -3.291 1.00 61.11 H new ATOM 0 HD21 ASN A 84 0.555 -11.017 -4.790 1.00 14.33 H new ATOM 0 HD22 ASN A 84 0.841 -12.755 -4.644 1.00 14.33 H new ATOM 1242 N GLN A 85 -3.178 -14.337 -3.588 1.00 45.03 N ATOM 1243 CA GLN A 85 -4.279 -14.377 -4.541 1.00 50.43 C ATOM 1244 C GLN A 85 -5.625 -14.296 -3.793 1.00 21.21 C ATOM 1245 O GLN A 85 -6.500 -13.504 -4.149 1.00 63.22 O ATOM 1246 CB GLN A 85 -4.206 -15.668 -5.371 1.00 3.13 C ATOM 1247 CG GLN A 85 -5.298 -15.808 -6.419 1.00 12.23 C ATOM 1248 CD GLN A 85 -5.208 -17.117 -7.169 1.00 30.40 C ATOM 1249 OE1 GLN A 85 -4.548 -17.220 -8.183 1.00 22.55 O ATOM 1250 NE2 GLN A 85 -5.873 -18.129 -6.668 1.00 61.54 N ATOM 0 H GLN A 85 -2.586 -15.167 -3.604 1.00 45.03 H new ATOM 0 HA GLN A 85 -4.201 -13.523 -5.214 1.00 50.43 H new ATOM 0 HB2 GLN A 85 -3.236 -15.711 -5.867 1.00 3.13 H new ATOM 0 HB3 GLN A 85 -4.257 -16.522 -4.696 1.00 3.13 H new ATOM 0 HG2 GLN A 85 -6.273 -15.734 -5.937 1.00 12.23 H new ATOM 0 HG3 GLN A 85 -5.228 -14.981 -7.126 1.00 12.23 H new ATOM 0 HE21 GLN A 85 -6.418 -18.009 -5.814 1.00 61.54 H new ATOM 0 HE22 GLN A 85 -5.846 -19.037 -7.132 1.00 61.54 H new ATOM 1259 N LEU A 86 -5.747 -15.082 -2.728 1.00 40.21 N ATOM 1260 CA LEU A 86 -6.949 -15.129 -1.883 1.00 24.32 C ATOM 1261 C LEU A 86 -7.172 -13.793 -1.155 1.00 63.13 C ATOM 1262 O LEU A 86 -8.287 -13.474 -0.746 1.00 64.12 O ATOM 1263 CB LEU A 86 -6.814 -16.247 -0.840 1.00 75.03 C ATOM 1264 CG LEU A 86 -6.607 -17.669 -1.383 1.00 23.14 C ATOM 1265 CD1 LEU A 86 -6.386 -18.625 -0.255 1.00 73.11 C ATOM 1266 CD2 LEU A 86 -7.792 -18.132 -2.201 1.00 50.00 C ATOM 0 H LEU A 86 -5.009 -15.714 -2.419 1.00 40.21 H new ATOM 0 HA LEU A 86 -7.803 -15.323 -2.532 1.00 24.32 H new ATOM 0 HB2 LEU A 86 -5.975 -16.005 -0.187 1.00 75.03 H new ATOM 0 HB3 LEU A 86 -7.711 -16.246 -0.220 1.00 75.03 H new ATOM 0 HG LEU A 86 -5.729 -17.646 -2.029 1.00 23.14 H new ATOM 0 HD11 LEU A 86 -6.241 -19.629 -0.653 1.00 73.11 H new ATOM 0 HD12 LEU A 86 -5.502 -18.326 0.308 1.00 73.11 H new ATOM 0 HD13 LEU A 86 -7.255 -18.618 0.404 1.00 73.11 H new ATOM 0 HD21 LEU A 86 -7.609 -19.142 -2.568 1.00 50.00 H new ATOM 0 HD22 LEU A 86 -8.687 -18.129 -1.579 1.00 50.00 H new ATOM 0 HD23 LEU A 86 -7.936 -17.459 -3.047 1.00 50.00 H new ATOM 1278 N MET A 87 -6.111 -13.015 -1.030 1.00 4.52 N ATOM 1279 CA MET A 87 -6.142 -11.767 -0.316 1.00 1.54 C ATOM 1280 C MET A 87 -6.653 -10.717 -1.192 1.00 21.01 C ATOM 1281 O MET A 87 -7.665 -10.103 -0.951 1.00 41.44 O ATOM 1282 CB MET A 87 -4.754 -11.309 0.101 1.00 11.02 C ATOM 1283 CG MET A 87 -4.153 -11.921 1.313 1.00 21.23 C ATOM 1284 SD MET A 87 -2.521 -11.229 1.566 1.00 22.31 S ATOM 1285 CE MET A 87 -2.138 -11.825 3.173 1.00 52.24 C ATOM 0 H MET A 87 -5.199 -13.241 -1.428 1.00 4.52 H new ATOM 0 HA MET A 87 -6.767 -11.930 0.562 1.00 1.54 H new ATOM 0 HB2 MET A 87 -4.078 -11.489 -0.735 1.00 11.02 H new ATOM 0 HB3 MET A 87 -4.790 -10.230 0.254 1.00 11.02 H new ATOM 0 HG2 MET A 87 -4.782 -11.730 2.183 1.00 21.23 H new ATOM 0 HG3 MET A 87 -4.089 -13.003 1.197 1.00 21.23 H new ATOM 0 HE1 MET A 87 -1.134 -11.503 3.451 1.00 52.24 H new ATOM 0 HE2 MET A 87 -2.858 -11.428 3.889 1.00 52.24 H new ATOM 0 HE3 MET A 87 -2.184 -12.914 3.178 1.00 52.24 H new ATOM 1295 N LEU A 88 -5.943 -10.536 -2.229 1.00 43.54 N ATOM 1296 CA LEU A 88 -6.120 -9.483 -3.112 1.00 4.12 C ATOM 1297 C LEU A 88 -7.401 -9.595 -3.918 1.00 64.11 C ATOM 1298 O LEU A 88 -8.055 -8.573 -4.182 1.00 23.01 O ATOM 1299 CB LEU A 88 -4.889 -9.421 -3.977 1.00 53.31 C ATOM 1300 CG LEU A 88 -5.063 -8.762 -5.277 1.00 11.13 C ATOM 1301 CD1 LEU A 88 -5.248 -7.248 -5.101 1.00 72.44 C ATOM 1302 CD2 LEU A 88 -3.931 -9.095 -6.217 1.00 70.13 C ATOM 0 H LEU A 88 -5.180 -11.160 -2.492 1.00 43.54 H new ATOM 0 HA LEU A 88 -6.239 -8.550 -2.561 1.00 4.12 H new ATOM 0 HB2 LEU A 88 -4.106 -8.900 -3.427 1.00 53.31 H new ATOM 0 HB3 LEU A 88 -4.535 -10.438 -4.149 1.00 53.31 H new ATOM 0 HG LEU A 88 -5.974 -9.147 -5.736 1.00 11.13 H new ATOM 0 HD11 LEU A 88 -5.375 -6.781 -6.078 1.00 72.44 H new ATOM 0 HD12 LEU A 88 -6.131 -7.058 -4.490 1.00 72.44 H new ATOM 0 HD13 LEU A 88 -4.370 -6.829 -4.610 1.00 72.44 H new ATOM 0 HD21 LEU A 88 -4.090 -8.592 -7.171 1.00 70.13 H new ATOM 0 HD22 LEU A 88 -2.988 -8.762 -5.783 1.00 70.13 H new ATOM 0 HD23 LEU A 88 -3.896 -10.173 -6.377 1.00 70.13 H new ATOM 1314 N SER A 89 -7.787 -10.799 -4.262 1.00 44.14 N ATOM 1315 CA SER A 89 -8.983 -10.974 -5.044 1.00 24.32 C ATOM 1316 C SER A 89 -10.236 -10.688 -4.190 1.00 24.43 C ATOM 1317 O SER A 89 -11.346 -10.657 -4.695 1.00 64.02 O ATOM 1318 CB SER A 89 -9.039 -12.379 -5.633 1.00 25.32 C ATOM 1319 OG SER A 89 -7.851 -12.668 -6.352 1.00 41.00 O ATOM 0 H SER A 89 -7.298 -11.660 -4.017 1.00 44.14 H new ATOM 0 HA SER A 89 -8.962 -10.261 -5.868 1.00 24.32 H new ATOM 0 HB2 SER A 89 -9.173 -13.109 -4.834 1.00 25.32 H new ATOM 0 HB3 SER A 89 -9.901 -12.468 -6.294 1.00 25.32 H new ATOM 0 HG SER A 89 -7.154 -12.960 -5.728 1.00 41.00 H new ATOM 1325 N ARG A 90 -10.022 -10.506 -2.893 1.00 42.01 N ATOM 1326 CA ARG A 90 -11.072 -10.187 -1.962 1.00 0.41 C ATOM 1327 C ARG A 90 -10.802 -8.829 -1.317 1.00 62.54 C ATOM 1328 O ARG A 90 -11.293 -7.809 -1.791 1.00 45.22 O ATOM 1329 CB ARG A 90 -11.188 -11.271 -0.868 1.00 53.11 C ATOM 1330 CG ARG A 90 -11.643 -12.649 -1.351 1.00 3.33 C ATOM 1331 CD ARG A 90 -13.169 -12.767 -1.522 1.00 52.12 C ATOM 1332 NE ARG A 90 -13.755 -11.780 -2.441 1.00 3.33 N ATOM 1333 CZ ARG A 90 -14.019 -11.971 -3.741 1.00 4.54 C ATOM 1334 NH1 ARG A 90 -13.716 -13.138 -4.331 1.00 11.31 N ATOM 1335 NH2 ARG A 90 -14.579 -10.999 -4.445 1.00 65.32 N ATOM 0 H ARG A 90 -9.100 -10.579 -2.463 1.00 42.01 H new ATOM 0 HA ARG A 90 -12.014 -10.148 -2.510 1.00 0.41 H new ATOM 0 HB2 ARG A 90 -10.218 -11.378 -0.383 1.00 53.11 H new ATOM 0 HB3 ARG A 90 -11.888 -10.922 -0.109 1.00 53.11 H new ATOM 0 HG2 ARG A 90 -11.161 -12.869 -2.303 1.00 3.33 H new ATOM 0 HG3 ARG A 90 -11.305 -13.404 -0.641 1.00 3.33 H new ATOM 0 HD2 ARG A 90 -13.406 -13.768 -1.884 1.00 52.12 H new ATOM 0 HD3 ARG A 90 -13.641 -12.661 -0.545 1.00 52.12 H new ATOM 0 HE ARG A 90 -13.982 -10.864 -2.053 1.00 3.33 H new ATOM 0 HH11 ARG A 90 -13.282 -13.886 -3.790 1.00 11.31 H new ATOM 0 HH12 ARG A 90 -13.920 -13.277 -5.321 1.00 11.31 H new ATOM 0 HH21 ARG A 90 -14.807 -10.111 -3.997 1.00 65.32 H new ATOM 0 HH22 ARG A 90 -14.782 -11.138 -5.435 1.00 65.32 H new ATOM 1349 N SER A 91 -9.861 -8.818 -0.347 1.00 11.13 N ATOM 1350 CA SER A 91 -9.632 -7.693 0.571 1.00 61.41 C ATOM 1351 C SER A 91 -11.007 -7.164 1.166 1.00 2.35 C ATOM 1352 O SER A 91 -12.010 -7.871 1.087 1.00 51.44 O ATOM 1353 CB SER A 91 -8.810 -6.624 -0.161 1.00 12.11 C ATOM 1354 OG SER A 91 -7.568 -7.158 -0.631 1.00 74.35 O ATOM 0 H SER A 91 -9.233 -9.605 -0.182 1.00 11.13 H new ATOM 0 HA SER A 91 -9.053 -8.008 1.439 1.00 61.41 H new ATOM 0 HB2 SER A 91 -9.383 -6.234 -1.002 1.00 12.11 H new ATOM 0 HB3 SER A 91 -8.618 -5.786 0.510 1.00 12.11 H new ATOM 0 HG SER A 91 -7.617 -8.137 -0.645 1.00 74.35 H new ATOM 1360 N PRO A 92 -11.065 -6.008 1.887 1.00 52.23 N ATOM 1361 CA PRO A 92 -12.358 -5.431 2.260 1.00 72.23 C ATOM 1362 C PRO A 92 -13.109 -4.962 1.019 1.00 51.33 C ATOM 1363 O PRO A 92 -12.568 -4.174 0.200 1.00 11.24 O ATOM 1364 CB PRO A 92 -11.993 -4.237 3.149 1.00 22.54 C ATOM 1365 CG PRO A 92 -10.628 -4.538 3.625 1.00 1.14 C ATOM 1366 CD PRO A 92 -9.959 -5.257 2.493 1.00 23.32 C ATOM 0 HA PRO A 92 -13.007 -6.146 2.765 1.00 72.23 H new ATOM 0 HB2 PRO A 92 -12.022 -3.302 2.590 1.00 22.54 H new ATOM 0 HB3 PRO A 92 -12.690 -4.133 3.981 1.00 22.54 H new ATOM 0 HG2 PRO A 92 -10.091 -3.625 3.882 1.00 1.14 H new ATOM 0 HG3 PRO A 92 -10.653 -5.156 4.523 1.00 1.14 H new ATOM 0 HD2 PRO A 92 -9.505 -4.563 1.785 1.00 23.32 H new ATOM 0 HD3 PRO A 92 -9.166 -5.917 2.845 1.00 23.32 H new ATOM 1374 N GLU A 93 -14.291 -5.483 0.855 1.00 71.24 N ATOM 1375 CA GLU A 93 -15.158 -5.171 -0.248 1.00 65.15 C ATOM 1376 C GLU A 93 -16.434 -4.579 0.337 1.00 64.32 C ATOM 1377 O GLU A 93 -17.386 -5.372 0.616 1.00 31.50 O ATOM 1378 CB GLU A 93 -15.512 -6.458 -0.993 1.00 5.55 C ATOM 1379 CG GLU A 93 -14.337 -7.273 -1.497 1.00 65.13 C ATOM 1380 CD GLU A 93 -14.759 -8.625 -2.045 1.00 10.52 C ATOM 1381 OE1 GLU A 93 -14.828 -9.619 -1.267 1.00 31.21 O ATOM 1382 OE2 GLU A 93 -15.025 -8.736 -3.248 1.00 61.10 O ATOM 1383 OXT GLU A 93 -16.464 -3.378 0.585 1.00 37.92 O ATOM 0 H GLU A 93 -14.692 -6.159 1.506 1.00 71.24 H new ATOM 0 HA GLU A 93 -14.675 -4.477 -0.936 1.00 65.15 H new ATOM 0 HB2 GLU A 93 -16.109 -7.086 -0.331 1.00 5.55 H new ATOM 0 HB3 GLU A 93 -16.143 -6.201 -1.844 1.00 5.55 H new ATOM 0 HG2 GLU A 93 -13.819 -6.714 -2.277 1.00 65.13 H new ATOM 0 HG3 GLU A 93 -13.626 -7.420 -0.684 1.00 65.13 H new TER 1390 GLU A 93